0 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,0,0,0,0,0|1,0,2]=3 1 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,0,0,0,0,0|1,0,2]=3 2 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,0,0,0,0,0|2,0,2]=4 9 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,0,0,0,0,0|2,0,2]=4 10 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,0,0,0,0,0|2,0,2]=4 11 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,0,0,0,0,0|2,0,2]=4 18 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,0,0,0,0,0|2,0,2]=4 19 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,0,0,0,0,0|2,0,2]=4 20 B10R0.91 C#CCCCC(=O)C=CC=C 1458a_100016291481_100000731252 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000690238_100000754431 [0,0,0,0,0,0|1,0,2]=3 22 B10R0.91 C#CCCCC(=O)CCC=C 1458a_100000749702_100000731252 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.91 C#CCCCC(=O)NCC=C 1626a_100020586998_100000690238 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.91 C#CCCCC(=O)NCC=C 240690a_100020586998_100000690238 [0,0,0,0,0,0|1,0,2]=3 25 B10R0.91 C#CCCCC(=O)NCC=C 527a_100020586998_100000690238 [0,0,0,0,0,0|1,0,2]=3 26 B10R0.91 C#CCCNC(=O)CCC=C 11a_100000755551_100000749702 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.91 C#CCCNC(=O)CCC=C 1626a_100000755551_100000749702 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.91 C#CCCNC(=O)CCC=C 240690a_100000755551_100000749702 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.91 C#CCCNC(=O)CCC=C 527a_100000755551_100000749702 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.91 C#CCCNC(=O)NCC=C 2708a_100000755551_100020586998 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.91 C#CCCNC(=O)NCC=C 273464a_100000755551_100020586998 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.91 C#CCCNC(=O)NCC=C 273464a_100020586998_100000755551 [0,0,0,0,0,0|2,0,2]=4 33 B10R0.91 C#CCCNC(=O)NCC=C 512a_100000755551_100020586998 [0,0,0,0,0,0|2,0,2]=4 34 B10R0.91 C#CCCNC(=O)NCC=C 512a_100020586998_100000755551 [0,0,0,0,0,0|2,0,2]=4 35 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 37 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 38 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 39 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 54 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 55 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 56 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.91 C#CCNCC(=O)OCC=C 34a_100000212058_100000033060 [0,0,0,0,0,0|1,0,2]=3 73 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,0,0,0,0,0|1,0,3]=4 74 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,0,0,0,0,0|1,0,3]=4 75 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,0,0,0,0,0|1,0,3]=4 76 B10R0.91 C#CCOCC(=O)CCC=C 1458a_100011251226_100000754431 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.91 C#CCOCC(=O)NCC=C 1626a_100020586998_100011251226 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.91 C#CCOCC(=O)NCC=C 527a_100020586998_100011251226 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.91 C#CCOCC(=O)OCC=C 34a_100000210247_100000033060 [0,0,0,0,0,0|1,0,2]=3 80 B10R0.91 C#CCSCC(=O)NCC=C 62a_100000038162_100000183597 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.91 C#CCSCC(=O)OCC=C 62a_100000038162_100000033060 [0,0,0,0,0,0|1,0,2]=3 82 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,0,0,0,0,0|1,0,2]=3 83 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,0,0,0,0,0|3,0,1]=4 91 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,0,0,0,0,0|3,0,1]=4 92 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,0,0,0,0,0|3,0,1]=4 93 B10R0.91 C=CC=CC(=O)C/C=C\CC 1458a_100016291481_100103147603 [0,0,0,0,0,0|1,0,3]=4 94 B10R0.91 C=CC=CC(=O)CC#CCC 1458a_100016291481_100009813939 [0,0,0,0,0,0|1,0,3]=4 95 B10R0.91 C=CC=CC(=O)CCCC#N 1458a_100016291481_100000211468 [0,0,0,0,0,0|2,0,2]=4 96 B10R0.91 C=CC=CC(=O)CCCC=C 1458a_100016291481_100000757094 [0,0,0,0,0,0|1,0,3]=4 97 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,0,0,0,0|1,0,1]=2 98 B10R0.91 C=CC=CC(=O)CCCCF 1458a_100016291481_100000729493 [0,0,0,0,0,0|2,0,1]=3 99 B10R0.91 C=CC=CC(=O)CCCCO 1458a_100016291481_100000210776 [0,0,0,0,0,0|2,0,1]=3 100 B10R0.91 C=CC=CC(=O)CCCOC 1458a_100016291481_100000740836 [0,0,0,0,0,0|2,0,1]=3 101 B10R0.91 C=CC=CC(=O)CCOCC 1458a_100016291481_100011215890 [0,0,0,0,0,0|2,0,1]=3 102 B10R0.91 C=CC=CC(=O)CCSCC 1458a_100016291481_100000757381 [0,0,0,0,0,0|2,0,1]=3 103 B10R0.91 C=CC=CC(=O)NCCCC 1626a_100000102301_100016291481 [0,0,0,0,0,0|2,0,1]=3 104 B10R0.91 C=CC=CC(=O)NCCCF 1626a_100015189416_100016291481 [0,0,0,0,0,0|3,0,1]=4 105 B10R0.91 C=CC=CC(=O)NCCOC 1626a_100000209980_100016291481 [0,0,0,0,0,0|3,0,1]=4 106 B10R0.91 C=CC=CC(=O)NCCSC 1626a_100020590264_100016291481 [0,0,0,0,0,0|3,0,1]=4 107 B10R0.91 C=CC=CC(=O)NNCCC 22a_100000740057_100016291481 [0,0,0,0,0,0|3,0,1]=4 108 B10R0.91 C=CCCC(=NNCCC)C 4a_100000740057_100000762624 [0,0,0,0,0,0|4,0,0]=4 109 B10R0.91 C=CCCC(=O)C#CCCC 1458a_200011218047_100000754431 [0,0,0,0,0,0|1,0,2]=3 110 B10R0.91 C=CCCC(=O)C/C=C/CC 1458a_100016274230_100000754431 [0,0,0,0,0,0|1,0,2]=3 111 B10R0.91 C=CCCC(=O)C/C=C\CC 1458a_100000749702_100103147603 [0,0,0,0,0,0|1,0,2]=3 112 B10R0.91 C=CCCC(=O)C=CCCC 1458a_100000212230_100000754431 [0,0,0,0,0,0|1,0,2]=3 113 B10R0.91 C=CCCC(=O)C=CCOC 1458a_100016285016_100000754431 [0,0,0,0,0,0|2,0,2]=4 114 B10R0.91 C=CCCC(=O)C=COCC 1458a_100016266692_100000754431 [0,0,0,0,0,0|2,0,2]=4 115 B10R0.91 C=CCCC(=O)CC#CCC 1458a_100000749702_100009813939 [0,0,0,0,0,0|1,0,2]=3 116 B10R0.91 C=CCCC(=O)CC#CCO 1458a_100000749702_200000047223 [0,0,0,0,0,0|2,0,2]=4 117 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000075515_100000754431 [0,0,0,0,0,0|2,0,1]=3 118 B10R0.91 C=CCCC(=O)CCCC#N 1458a_100000749702_100000211468 [0,0,0,0,0,0|2,0,1]=3 119 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,0,0,0,0,0|1,0,0]=1 120 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,0,0,0,0,0|1,0,0]=1 121 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,0,0,0,0,0|2,0,0]=2 122 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,0,0,0,0,0|2,0,0]=2 123 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,0,0,0,0,0|2,0,0]=2 124 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,0,0,0,0,0|2,0,0]=2 125 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,0,0,0,0,0|2,0,0]=2 126 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,0,0,0,0,0|2,0,0]=2 127 B10R0.91 C=CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000754431 [0,0,0,0,0,0|4,0,0]=4 128 B10R0.91 C=CCCC(=O)CCOC=C 1458a_100000749702_100000039644 [0,0,0,0,0,0|2,0,2]=4 129 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,0,0,0,0,0|2,0,0]=2 130 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,0,0,0,0,0|2,0,0]=2 131 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,0,0,0,0,0|2,0,0]=2 132 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,0,0,0,0,0|2,0,0]=2 133 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,0,0,0,0,0|2,0,0]=2 134 B10R0.91 C=CCCC(=O)COCCO 1458a_100000708028_100000754431 [0,0,0,0,0,0|3,0,0]=3 135 B10R0.91 C=CCCC(=O)CSCC#N 1458a_100000150266_100000754431 [0,0,0,0,0,0|3,0,1]=4 136 B10R0.91 C=CCCC(=O)CSCC=C 1458a_100000230395_100000754431 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,0,0,0,0,0|2,0,0]=2 138 B10R0.91 C=CCCC(=O)NCC#CC 11a_100000685387_100000749702 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.91 C=CCCC(=O)NCC#CC 1626a_100000685387_100000749702 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.91 C=CCCC(=O)NCC#CC 527a_100000685387_100000749702 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.91 C=CCCC(=O)NCCC#N 11a_100000720768_100000749702 [0,0,0,0,0,0|3,0,1]=4 142 B10R0.91 C=CCCC(=O)NCCC#N 1626a_100000720768_100000749702 [0,0,0,0,0,0|3,0,1]=4 143 B10R0.91 C=CCCC(=O)NCCC#N 240690a_100000720768_100000749702 [0,0,0,0,0,0|3,0,1]=4 144 B10R0.91 C=CCCC(=O)NCCC#N 527a_100000720768_100000749702 [0,0,0,0,0,0|3,0,1]=4 145 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,0,0,0,0,0|2,0,0]=2 146 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,0,0,0,0,0|2,0,0]=2 147 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,0,0,0,0,0|2,0,0]=2 148 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,0,0,0,0,0|2,0,0]=2 149 B10R0.91 C=CCCC(=O)NCCCF 11a_100015189416_100000749702 [0,0,0,0,0,0|3,0,0]=3 150 B10R0.91 C=CCCC(=O)NCCCF 1626a_100015189416_100000749702 [0,0,0,0,0,0|3,0,0]=3 151 B10R0.91 C=CCCC(=O)NCCCF 240690a_100015189416_100000749702 [0,0,0,0,0,0|3,0,0]=3 152 B10R0.91 C=CCCC(=O)NCCCF 527a_100015189416_100000749702 [0,0,0,0,0,0|3,0,0]=3 153 B10R0.91 C=CCCC(=O)NCCCO 240690a_100000182051_100000749702 [0,0,0,0,0,0|3,0,0]=3 154 B10R0.91 C=CCCC(=O)NCCCO 527a_100000182051_100000749702 [0,0,0,0,0,0|3,0,0]=3 155 B10R0.91 C=CCCC(=O)NCCOC 1626a_100000209980_100000749702 [0,0,0,0,0,0|3,0,0]=3 156 B10R0.91 C=CCCC(=O)NCCOC 240690a_100000209980_100000749702 [0,0,0,0,0,0|3,0,0]=3 157 B10R0.91 C=CCCC(=O)NCCOC 527a_100000209980_100000749702 [0,0,0,0,0,0|3,0,0]=3 158 B10R0.91 C=CCCC(=O)NCCSC 11a_100020590264_100000749702 [0,0,0,0,0,0|3,0,0]=3 159 B10R0.91 C=CCCC(=O)NCCSC 1626a_100020590264_100000749702 [0,0,0,0,0,0|3,0,0]=3 160 B10R0.91 C=CCCC(=O)NCCSC 240690a_100020590264_100000749702 [0,0,0,0,0,0|3,0,0]=3 161 B10R0.91 C=CCCC(=O)NCCSC 527a_100020590264_100000749702 [0,0,0,0,0,0|3,0,0]=3 162 B10R0.91 C=CCCC(=O)NNCCC 22a_100000740057_100000749702 [0,0,0,0,0,0|3,0,0]=3 163 B10R0.91 C=CCCC(=O)NNCCO 22a_100000210001_100000749702 [0,0,0,0,0,0|4,0,0]=4 164 B10R0.91 C=CCCC(C)NCCCC 270004a_100000102301_100000762624 [0,0,0,0,0,0|3,0,1]=4 165 B10R0.91 C=CCCC(C)OCCCC 34a_100000765329_100000210210 [0,0,0,0,0,0|3,0,1]=4 166 B10R0.91 C=CCCC(C)OCCCC 7a_100000765329_100000210211 [0,0,0,0,0,0|3,0,1]=4 167 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000749702_100000757094 [0,0,0,0,0,0|1,0,2]=3 168 B10R0.91 C=CCCCC(=O)CCC=C 1458a_100000766728_100000754431 [0,0,0,0,0,0|1,0,2]=3 169 B10R0.91 C=CCCCC(=O)NCC=C 1626a_100020586998_100000766728 [0,0,0,0,0,0|1,0,2]=3 170 B10R0.91 C=CCCCC(=O)NCC=C 240690a_100020586998_100000766728 [0,0,0,0,0,0|1,0,2]=3 171 B10R0.91 C=CCCCC(=O)NCC=C 527a_100020586998_100000766728 [0,0,0,0,0,0|1,0,2]=3 172 B10R0.91 C=CCCN(C)CCCCC 2230a_100000223495_100000754431 [0,0,0,0,0,0|3,0,0]=3 173 B10R0.91 C=CCCN(C)CCCCC 2230a_100020639649_100000210326 [0,0,0,0,0,0|3,0,0]=3 174 B10R0.91 C=CCCN(C)CCCCC 269982a_100000223495_100000754431 [0,0,0,0,0,0|3,0,0]=3 175 B10R0.91 C=CCCN(C)CCCCC 269982a_100020639649_100000210215 [0,0,0,0,0,0|3,0,0]=3 176 B10R0.91 C=CCCN(C)CCCCF 2230a_100020639649_100000729493 [0,0,0,0,0,0|4,0,0]=4 177 B10R0.91 C=CCCN(C)CCCCF 269982a_100020639649_100000729493 [0,0,0,0,0,0|4,0,0]=4 178 B10R0.91 C=CCCN(C)CCCCO 2230a_100000717598_100000754431 [0,0,0,0,0,0|4,0,0]=4 179 B10R0.91 C=CCCN(C)CCCCO 2230a_100020639649_100000210776 [0,0,0,0,0,0|4,0,0]=4 180 B10R0.91 C=CCCN(C)CCCCO 269982a_100000717598_100000754431 [0,0,0,0,0,0|4,0,0]=4 181 B10R0.91 C=CCCN(C)CCCCO 269982a_100020639649_100000210776 [0,0,0,0,0,0|4,0,0]=4 182 B10R0.91 C=CCCN(C)CCCOC 2230a_100000224831_100000754431 [0,0,0,0,0,0|4,0,0]=4 183 B10R0.91 C=CCCN(C)CCCOC 2230a_100020639649_100000740836 [0,0,0,0,0,0|4,0,0]=4 184 B10R0.91 C=CCCN(C)CCCOC 269982a_100000224831_100000754431 [0,0,0,0,0,0|4,0,0]=4 185 B10R0.91 C=CCCN(C)CCCOC 269982a_100020639649_100000740836 [0,0,0,0,0,0|4,0,0]=4 186 B10R0.91 C=CCCN(C)CCOCC 2230a_100020639649_100011215890 [0,0,0,0,0,0|4,0,0]=4 187 B10R0.91 C=CCCN(C)CCOCC 269982a_100020639649_100011215890 [0,0,0,0,0,0|4,0,0]=4 188 B10R0.91 C=CCCN(C)CCSCC 2230a_100020639649_100000757381 [0,0,0,0,0,0|4,0,0]=4 189 B10R0.91 C=CCCN(C)CCSCC 269982a_100020639649_100000757381 [0,0,0,0,0,0|4,0,0]=4 190 B10R0.91 C=CCCNC(=O)CCC=C 11a_100015191253_100000749702 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.91 C=CCCNC(=O)CCC=C 1626a_100015191253_100000749702 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.91 C=CCCNC(=O)CCC=C 240690a_100015191253_100000749702 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.91 C=CCCNC(=O)CCC=C 527a_100015191253_100000749702 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.91 C=CCCNC(=O)NCC=C 2708a_100015191253_100020586998 [0,0,0,0,0,0|2,0,2]=4 195 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100015191253_100020586998 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.91 C=CCCNC(=O)NCC=C 273464a_100020586998_100015191253 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.91 C=CCCNC(=O)NCC=C 512a_100015191253_100020586998 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.91 C=CCCNC(=O)NCC=C 512a_100020586998_100015191253 [0,0,0,0,0,0|2,0,2]=4 199 B10R0.91 C=CCNC(=O)C#CCCC 240690a_100020586998_200011218047 [0,0,0,0,0,0|1,0,2]=3 200 B10R0.91 C=CCNC(=O)C/C=C/CC 1626a_100020586998_100016274230 [0,0,0,0,0,0|1,0,2]=3 201 B10R0.91 C=CCNC(=O)C/C=C/CC 240690a_100020586998_100016274230 [0,0,0,0,0,0|1,0,2]=3 202 B10R0.91 C=CCNC(=O)C/C=C/CC 527a_100020586998_100016274230 [0,0,0,0,0,0|1,0,2]=3 203 B10R0.91 C=CCNC(=O)C=CCCC 1626a_100020586998_100000212230 [0,0,0,0,0,0|1,0,2]=3 204 B10R0.91 C=CCNC(=O)C=CCCC 240690a_100020586998_100000212230 [0,0,0,0,0,0|1,0,2]=3 205 B10R0.91 C=CCNC(=O)C=CCOC 1626a_100020586998_100016285016 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.91 C=CCNC(=O)C=CCOC 240690a_100020586998_100016285016 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.91 C=CCNC(=O)C=COCC 1626a_100020586998_100016266692 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.91 C=CCNC(=O)C=COCC 240690a_100020586998_100016266692 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.91 C=CCNC(=O)CCCC#N 1626a_100020586998_100000075515 [0,0,0,0,0,0|2,0,1]=3 210 B10R0.91 C=CCNC(=O)CCCC#N 240690a_100020586998_100000075515 [0,0,0,0,0,0|2,0,1]=3 211 B10R0.91 C=CCNC(=O)CCCC#N 527a_100020586998_100000075515 [0,0,0,0,0,0|2,0,1]=3 212 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,0,0,0,0,0|1,0,0]=1 213 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,0,0,0,0,0|1,0,0]=1 214 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,0,0,0,0,0|1,0,0]=1 215 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,0,0,0,0,0|2,0,0]=2 216 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,0,0,0,0,0|2,0,0]=2 217 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,0,0,0,0,0|2,0,0]=2 218 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,0,0,0,0,0|2,0,0]=2 219 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,0,0,0,0,0|2,0,0]=2 220 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,0,0,0,0,0|2,0,0]=2 221 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,0,0,0,0,0|2,0,0]=2 222 B10R0.91 C=CCNC(=O)CCN=[N+]=[N-] 240690a_100020586998_100000688302 [0,0,0,0,0,0|4,0,0]=4 223 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,0,0,0,0,0|2,0,0]=2 224 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,0,0,0,0,0|2,0,0]=2 225 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,0,0,0,0,0|2,0,0]=2 226 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,0,0,0,0,0|2,0,0]=2 227 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,0,0,0,0,0|2,0,0]=2 228 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,0,0,0,0,0|2,0,0]=2 229 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,0,0,0,0,0|2,0,0]=2 230 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,0,0,0,0,0|2,0,0]=2 231 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,0,0,0,0,0|2,0,0]=2 232 B10R0.91 C=CCNC(=O)CCSCF 62a_100011222895_100015361967 [0,0,0,0,0,0|3,0,0]=3 233 B10R0.91 C=CCNC(=O)CCSCF 62a_100015361967_100011222895 [0,0,0,0,0,0|3,0,0]=3 234 B10R0.91 C=CCNC(=O)CNCCO 2230a_100016997473_100000183597 [0,0,0,0,0,0|3,0,0]=3 235 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,0,0,0,0,0|2,0,0]=2 236 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,0,0,0,0,0|2,0,0]=2 237 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,0,0,0,0,0|2,0,0]=2 238 B10R0.91 C=CCNC(=O)COCCO 1626a_100020586998_100000708028 [0,0,0,0,0,0|3,0,0]=3 239 B10R0.91 C=CCNC(=O)COCCO 240690a_100020586998_100000708028 [0,0,0,0,0,0|3,0,0]=3 240 B10R0.91 C=CCNC(=O)CSCC#N 1626a_100020586998_100000150266 [0,0,0,0,0,0|3,0,1]=4 241 B10R0.91 C=CCNC(=O)CSCC#N 240690a_100020586998_100000150266 [0,0,0,0,0,0|3,0,1]=4 242 B10R0.91 C=CCNC(=O)CSCC#N 62a_100000183597_100011215382 [0,0,0,0,0,0|3,0,1]=4 243 B10R0.91 C=CCNC(=O)CSCC#N 62a_100011215382_100000183597 [0,0,0,0,0,0|3,0,1]=4 244 B10R0.91 C=CCNC(=O)CSCC=C 1626a_100020586998_100000230395 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.91 C=CCNC(=O)CSCC=C 240690a_100020586998_100000230395 [0,0,0,0,0,0|2,0,2]=4 246 B10R0.91 C=CCNC(=O)CSCC=C 527a_100020586998_100000230395 [0,0,0,0,0,0|2,0,2]=4 247 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000183597_100000210623 [0,0,0,0,0,0|2,0,2]=4 248 B10R0.91 C=CCNC(=O)CSCC=C 62a_100000210623_100000183597 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.91 C=CCNC(=O)CSCC=O 62a_100000183597_200015260668 [0,0,0,0,0,0|3,0,1]=4 250 B10R0.91 C=CCNC(=O)CSCC=O 62a_200015260668_100000183597 [0,0,0,0,0,0|3,0,1]=4 251 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,0,0,0,0,0|2,0,0]=2 252 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,0,0,0,0,0|2,0,0]=2 253 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,0,0,0,0,0|2,0,0]=2 254 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,0,0,0,0,0|2,0,0]=2 255 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,0,0,0,0,0|2,0,0]=2 256 B10R0.91 C=CCNC(=O)CSCCF 62a_100000183597_100011217306 [0,0,0,0,0,0|3,0,0]=3 257 B10R0.91 C=CCNC(=O)CSCCF 62a_100011217306_100000183597 [0,0,0,0,0,0|3,0,0]=3 258 B10R0.91 C=CCNC(=O)CSCCO 62a_100000183597_100000211926 [0,0,0,0,0,0|3,0,0]=3 259 B10R0.91 C=CCNC(=O)CSCCO 62a_100000211926_100000183597 [0,0,0,0,0,0|3,0,0]=3 260 B10R0.91 C=CCNC(=O)CSCOC 62a_100000183597_100000766300 [0,0,0,0,0,0|3,0,0]=3 261 B10R0.91 C=CCNC(=O)CSCOC 62a_100000766300_100000183597 [0,0,0,0,0,0|3,0,0]=3 262 B10R0.91 C=CCNC(=O)CSCSC 62a_100000183597_100011218213 [0,0,0,0,0,0|3,0,0]=3 263 B10R0.91 C=CCNC(=O)CSCSC 62a_100011218213_100000183597 [0,0,0,0,0,0|3,0,0]=3 264 B10R0.91 C=CCNC(=O)NCC#CC 273464a_100000685387_100020586998 [0,0,0,0,0,0|2,0,2]=4 265 B10R0.91 C=CCNC(=O)NCC#CC 273464a_100020586998_100000685387 [0,0,0,0,0,0|2,0,2]=4 266 B10R0.91 C=CCNC(=O)NCC#CC 512a_100000685387_100020586998 [0,0,0,0,0,0|2,0,2]=4 267 B10R0.91 C=CCNC(=O)NCC#CC 512a_100020586998_100000685387 [0,0,0,0,0,0|2,0,2]=4 268 B10R0.91 C=CCNC(=O)NCCC#N 2708a_100000720768_100020586998 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.91 C=CCNC(=O)NCCC#N 273464a_100000720768_100020586998 [0,0,0,0,0,0|3,0,1]=4 270 B10R0.91 C=CCNC(=O)NCCC#N 273464a_100020586998_100000720768 [0,0,0,0,0,0|3,0,1]=4 271 B10R0.91 C=CCNC(=O)NCCC#N 512a_100000720768_100020586998 [0,0,0,0,0,0|3,0,1]=4 272 B10R0.91 C=CCNC(=O)NCCC#N 512a_100020586998_100000720768 [0,0,0,0,0,0|3,0,1]=4 273 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,0,0,0,0,0|2,0,0]=2 274 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,0,0,0,0,0|2,0,0]=2 275 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,0,0,0,0,0|2,0,0]=2 276 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,0,0,0,0,0|2,0,0]=2 277 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,0,0,0,0,0|2,0,0]=2 278 B10R0.91 C=CCNC(=O)NCCCF 2708a_100015189416_100020586998 [0,0,0,0,0,0|3,0,0]=3 279 B10R0.91 C=CCNC(=O)NCCCF 273464a_100015189416_100020586998 [0,0,0,0,0,0|3,0,0]=3 280 B10R0.91 C=CCNC(=O)NCCCF 273464a_100020586998_100015189416 [0,0,0,0,0,0|3,0,0]=3 281 B10R0.91 C=CCNC(=O)NCCCF 512a_100015189416_100020586998 [0,0,0,0,0,0|3,0,0]=3 282 B10R0.91 C=CCNC(=O)NCCCF 512a_100020586998_100015189416 [0,0,0,0,0,0|3,0,0]=3 283 B10R0.91 C=CCNC(=O)NCCCO 273464a_100000182051_100020586998 [0,0,0,0,0,0|3,0,0]=3 284 B10R0.91 C=CCNC(=O)NCCCO 273464a_100020586998_100000182051 [0,0,0,0,0,0|3,0,0]=3 285 B10R0.91 C=CCNC(=O)NCCCO 512a_100020586998_100000182051 [0,0,0,0,0,0|3,0,0]=3 286 B10R0.91 C=CCNC(=O)NCCOC 273464a_100000209980_100020586998 [0,0,0,0,0,0|3,0,0]=3 287 B10R0.91 C=CCNC(=O)NCCOC 273464a_100020586998_100000209980 [0,0,0,0,0,0|3,0,0]=3 288 B10R0.91 C=CCNC(=O)NCCSC 2708a_100020590264_100020586998 [0,0,0,0,0,0|3,0,0]=3 289 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020586998_100020590264 [0,0,0,0,0,0|3,0,0]=3 290 B10R0.91 C=CCNC(=O)NCCSC 273464a_100020590264_100020586998 [0,0,0,0,0,0|3,0,0]=3 291 B10R0.91 C=CCNC(=O)NCCSC 512a_100020586998_100020590264 [0,0,0,0,0,0|3,0,0]=3 292 B10R0.91 C=CCNC(=O)NCCSC 512a_100020590264_100020586998 [0,0,0,0,0,0|3,0,0]=3 293 B10R0.91 C=CCNC(=O)NNCCC 273464a_100020586998_100000740057 [0,0,0,0,0,0|3,0,0]=3 294 B10R0.91 C=CCNC(=O)NNCCC 512a_100000740057_100020586998 [0,0,0,0,0,0|3,0,0]=3 295 B10R0.91 C=CCNC(=O)NNCCC 512a_100020586998_100000740057 [0,0,0,0,0,0|3,0,0]=3 296 B10R0.91 C=CCNC(=O)NNCCO 273464a_100020586998_100000210001 [0,0,0,0,0,0|4,0,0]=4 297 B10R0.91 C=CCNC(=O)NNCCO 512a_100020586998_100000210001 [0,0,0,0,0,0|4,0,0]=4 298 B10R0.91 C=CCNC(C)CCCCC 2230a_100000211957_100000210623 [0,0,0,0,0,0|2,0,1]=3 299 B10R0.91 C=CCNC(C)CCCCC 2230a_100020586998_200011218191 [0,0,0,0,0,0|2,0,1]=3 300 B10R0.91 C=CCNC(C)CCCCC 270004a_100020586998_100000211708 [0,0,0,0,0,0|2,0,1]=3 301 B10R0.91 C=CCNC(C)CCCSC 270004a_100020586998_100011399439 [0,0,0,0,0,0|3,0,1]=4 302 B10R0.91 C=CCNC(C)CCOCC 270004a_100020586998_200011216536 [0,0,0,0,0,0|3,0,1]=4 303 B10R0.91 C=CCNC(C)CSCCC 270004a_100020586998_100011343953 [0,0,0,0,0,0|3,0,1]=4 304 B10R0.91 C=CCNCC(=O)NCC=C 2230a_100020586998_100000183597 [0,0,0,0,0,0|2,0,2]=4 305 B10R0.91 C=CCNCC(=O)OCC=C 2230a_100020586998_100000033060 [0,0,0,0,0,0|1,0,2]=3 306 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,0,0,0,0,0|2,0,0]=2 307 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,0,0,0,0,0|2,0,0]=2 308 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,0,0,0,0,0|2,0,0]=2 309 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,0,0,0,0,0|2,0,0]=2 310 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,0,0,0,0,0|1,0,0]=1 311 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,0,0,0,0,0|2,0,0]=2 312 B10R0.91 C=CCOC(=O)CSCC#N 62a_100000033060_100011215382 [0,0,0,0,0,0|2,0,1]=3 313 B10R0.91 C=CCOC(=O)CSCC#N 62a_100011215382_100000033060 [0,0,0,0,0,0|2,0,1]=3 314 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000033060_100000210623 [0,0,0,0,0,0|1,0,2]=3 315 B10R0.91 C=CCOC(=O)CSCC=C 62a_100000210623_100000033060 [0,0,0,0,0,0|1,0,2]=3 316 B10R0.91 C=CCOC(=O)CSCC=O 62a_100000033060_200015260668 [0,0,0,0,0,0|2,0,1]=3 317 B10R0.91 C=CCOC(=O)CSCC=O 62a_200015260668_100000033060 [0,0,0,0,0,0|2,0,1]=3 318 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,0,0,0,0,0|1,0,0]=1 319 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,0,0,0,0,0|1,0,0]=1 320 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,0,0,0,0,0|2,0,0]=2 321 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,0,0,0,0,0|2,0,0]=2 322 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,0,0,0,0,0|2,0,0]=2 323 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,0,0,0,0,0|2,0,0]=2 324 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,0,0,0,0,0|2,0,0]=2 325 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,0,0,0,0,0|2,0,0]=2 326 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,0,0,0,0,0|2,0,0]=2 327 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,0,0,0,0,0|2,0,0]=2 328 B10R0.91 C=CCOC(C)CC#CCC 34a_200000035118_100015514636 [0,0,0,0,0,0|1,0,3]=4 329 B10R0.91 C=CCOC(C)CC#CCC 7a_200000035118_100015514636 [0,0,0,0,0,0|1,0,3]=4 330 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,0,0,0,0,0|1,0,1]=2 331 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,0,0,0,0,0|1,0,1]=2 332 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,0,0,0,0,0|1,0,1]=2 333 B10R0.91 C=CCOC(C)CCCOC 34a_200011539412_100015514636 [0,0,0,0,0,0|2,0,1]=3 334 B10R0.91 C=CCOC(C)CCCOC 7a_200011539412_100015514636 [0,0,0,0,0,0|2,0,1]=3 335 B10R0.91 C=CCOCC(=O)OCC=C 34a_200000210373_100000033060 [0,0,0,0,0,0|1,0,2]=3 336 B10R0.91 C=CCSC(C)CCCCC 62a_100000210623_200011218191 [0,0,0,0,0,0|1,1,1]=3 337 B10R0.91 C=CCSC(C)CCCCC 62a_200011218191_100000210623 [0,0,0,0,0,0|1,1,1]=3 338 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,0,0,0,0,0|1,0,3]=4 339 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,0,0,0,0,0|1,0,2]=3 340 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,0,0,0,0,0|1,0,2]=3 341 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,0,0,0,0,0|2,0,2]=4 342 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,0,0,0,0,0|2,0,2]=4 343 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,0,0,0,0,0|2,0,2]=4 344 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,0,0,0,0,0|2,0,2]=4 345 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,0,0,0,0,0|2,0,2]=4 346 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,0,0,0,0,0|2,0,2]=4 347 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,0,0,0,0,0|2,0,2]=4 348 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,0,0,0,0,0|2,0,2]=4 349 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,0,0,0,0,0|2,0,2]=4 350 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,0,0,0,0,0|2,0,2]=4 351 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,0,0,0,0,0|2,0,2]=4 352 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 354 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 355 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 356 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 357 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,0,0,0,0,0|2,0,1]=3 358 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,0,0,0,0,0|1,0,3]=4 359 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,0,0,0,0,0|1,0,3]=4 360 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,0,0,0,0,0|2,0,2]=4 361 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,0,0,0,0,0|2,0,2]=4 362 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,0,0,0,0,0|2,0,2]=4 363 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,0,0,0,0,0|2,0,2]=4 364 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,0,0,0,0,0|2,0,2]=4 365 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,0,0,0,0,0|2,0,2]=4 366 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,0,0,0,0,0|2,0,2]=4 367 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,0,0,0,0,0|2,0,2]=4 368 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,0,0,0,0,0|2,0,2]=4 369 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,0,0,0,0,0|2,0,2]=4 370 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,0,0,0,0,0|2,0,2]=4 371 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,0,0,0,0,0|2,0,2]=4 372 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,0,0,0,0,0|2,0,2]=4 373 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,0,0,0,0,0|2,0,2]=4 374 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,0,0,0,0,0|2,0,1]=3 375 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,0,0,0,0,0|2,0,1]=3 376 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,0,0,0,0,0|1,0,2]=3 377 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,0,0,0,0,0|1,0,2]=3 378 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,0,0,0,0,0|2,0,1]=3 379 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,0,0,0,0,0|2,0,1]=3 380 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,0,0,0,0,0|2,0,1]=3 381 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,0,0,0,0,0|2,0,1]=3 382 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,0,0,0,0,0|2,0,1]=3 383 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,0,0,0,0,0|2,0,1]=3 384 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,0,0,0,0,0|2,0,2]=4 385 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,0,0,0,0,0|2,0,2]=4 386 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,0,0,0,0,0|2,0,2]=4 387 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,0,0,0,0,0|2,0,2]=4 388 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,0,0,0,0,0|2,0,2]=4 389 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,0,0,0,0,0|2,0,2]=4 390 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,0,0,0,0,0|3,0,1]=4 391 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,0,0,0,0,0|3,0,1]=4 392 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,0,0,0,0,0|2,0,1]=3 393 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,0,0,0,0,0|2,0,1]=3 394 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,0,0,0,0,0|1,0,2]=3 395 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,0,0,0,0,0|1,0,2]=3 396 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,0,0,0,0,0|1,0,2]=3 397 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,0,0,0,0,0|1,0,2]=3 398 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,0,0,0,0,0|2,0,1]=3 399 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,0,0,0,0,0|2,0,1]=3 400 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,0,0,0,0,0|2,0,1]=3 401 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,0,0,0,0,0|2,0,1]=3 402 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,0,0,0,0,0|2,0,1]=3 403 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,0,0,0,0,0|2,0,1]=3 404 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,0,0,0,0,0|2,0,2]=4 405 B10R0.91 CCCCCC(C)NCC=O 2230a_100000211957_200015260668 [0,0,0,0,0,0|3,0,1]=4 406 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,0,0,0,0,0|2,0,2]=4 407 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,0,0,0,0,0|2,0,1]=3 408 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,0,0,0,0,0|2,0,1]=3 409 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,0,0,0,0,0|2,0,2]=4 410 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,0,0,0,0,0|1,0,3]=4 411 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,0,0,0,0,0|1,0,3]=4 412 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,0,0,0,0,0|1,0,3]=4 413 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,0,0,0,0,0|2,0,2]=4 414 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,0,0,0,0,0|2,0,2]=4 415 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,0,0,0,0,0|2,0,2]=4 416 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,0,0,0,0,0|2,0,2]=4 417 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,0,0,0,0,0|2,0,2]=4 418 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,0,0,0,0,0|2,0,2]=4 419 B10R0.91 CCCCCC(C)SCC=O 62a_200011218191_200015260668 [0,0,0,0,0,0|2,1,1]=4 420 B10R0.91 CCCCCC(C)SCC=O 62a_200015260668_200011218191 [0,0,0,0,0,0|2,1,1]=4 421 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 422 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 423 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 424 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 425 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,0,0,0,0,0|2,0,2]=4 426 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,0,0,0,0,0|2,0,2]=4 427 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,0,0,0,0,0|2,0,2]=4 428 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,0,0,0,0,0|2,0,2]=4 429 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,0,0,0,0,0|3,0,1]=4 430 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,0,0,0,0,0|3,0,1]=4 431 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,0,0,0,0,0|3,0,1]=4 432 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,0,0,0,0,0|3,0,1]=4 433 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,0,0,0,0,0|3,0,1]=4 434 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,0,0,0,0,0|3,0,1]=4 435 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,0,0,0,0,0|3,0,1]=4 436 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,0,0,0,0,0|3,0,1]=4 437 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 438 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [0,0,0,0,0,0|3,0,1]=4 439 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 440 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [0,0,0,0,0,0|3,0,1]=4 441 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 442 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,0,0,0,0,0|2,0,2]=4 443 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,0,0,0,0,0|2,0,2]=4 444 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,0,0,0,0,0|2,0,2]=4 445 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,0,0,0,0,0|2,0,2]=4 446 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,0,0,0,0,0|2,0,2]=4 447 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,0,0,0,0,0|2,0,2]=4 448 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,0,0,0,0,0|3,0,1]=4 449 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,0,0,0,0,0|3,0,1]=4 450 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,0,0,0,0,0|3,0,1]=4 451 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,0,0,0,0,0|3,0,1]=4 452 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,0,0,0,0,0|3,0,1]=4 453 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,0,0,0,0,0|3,0,1]=4 454 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,0,0,0,0,0|3,0,1]=4 455 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,0,0,0,0,0|3,0,1]=4 456 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,0,0,0,0,0|2,0,2]=4 457 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,0,0,0,0,0|2,0,2]=4 458 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,0,0,0,0,0|2,0,2]=4 459 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,0,0,0,0,0|2,0,2]=4 460 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,0,0,0,0,0|2,0,2]=4 461 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,0,0,0,0,0|2,0,2]=4 462 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,0,0,0,0,0|2,0,2]=4 463 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,0,0,0,0,0|2,0,2]=4 464 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,0,0,0,0,0|2,0,2]=4 465 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,0,0,0,0,0|2,0,2]=4 466 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,0,0,0,0,0|2,0,2]=4 467 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,0,0,0,0,0|2,0,2]=4 468 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,0,0,0,0,0|2,0,2]=4 469 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,0,0,0,0,0|2,0,2]=4 470 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,0,0,0,0,0|2,0,2]=4 471 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,0,0,0,0,0|2,0,2]=4 472 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,0,0,0,0,0|2,0,2]=4 473 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,0,0,0,0,0|2,0,2]=4 474 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,0,0,0,0,0|2,0,2]=4 475 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,0,0,0,0,0|2,0,2]=4 476 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,0,0,0,0,0|2,0,2]=4 477 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,0,0,0,0,0|2,0,2]=4 478 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,0,0,0,0,0|2,0,2]=4 479 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,0,0,0,0,0|2,0,2]=4 480 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,0,0,0,0,0|2,0,2]=4 481 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,0,0,0,0,0|2,0,2]=4 482 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,0,0,0,0,0|2,0,2]=4 483 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,0,0,0,0,0|2,0,2]=4 484 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,0,0,0,0,0|2,0,2]=4 485 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,0,0,0,0,0|2,0,2]=4 486 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,0,0,0,0,0|2,0,2]=4 487 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,0,0,0,0,0|2,0,2]=4 488 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,0,0,0,0,0|2,0,2]=4 489 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,0,0,0,0,0|2,0,2]=4 490 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,0,0,0,0,0|2,0,2]=4 491 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,0,0,0,0,0|3,0,1]=4 492 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,0,0,0,0,0|2,0,2]=4 493 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,0,0,0,0,0|2,0,2]=4 494 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,0,0,0,0,0|2,0,2]=4 495 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,0,0,0,0,0|2,0,2]=4 496 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,0,0,0,0,0|2,0,2]=4 497 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,0,0,0,0,0|1,0,2]=3 498 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,0,0,0,0,0|1,0,2]=3 499 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,0,0,0,0,0|2,0,2]=4 500 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,0,0,0,0,0|2,0,2]=4 501 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,0,0,0,0,0|2,0,2]=4 502 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,0,0,0,0,0|2,0,2]=4 503 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,0,0,0,0,0|2,0,2]=4 504 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,0,0,0,0,0|2,0,2]=4 505 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,0,0,0,0,0|2,0,2]=4 506 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,0,0,0,0,0|2,0,2]=4 507 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,0,0,0,0,0|2,0,2]=4 508 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,0,0,0,0,0|2,0,2]=4 509 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,0,0,0,0,0|3,0,1]=4 511 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,0,0,0,0,0|3,0,1]=4 512 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,0,0,0,0,0|3,0,1]=4 515 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,0,0,0,0,0|3,0,1]=4 516 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,0,0,0,0,0|3,0,1]=4 517 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,0,0,0,0,0|3,0,1]=4 518 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,0,0,0,0,0|3,0,1]=4 519 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,0,0,0,0,0|3,0,1]=4 520 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,0,0,0,0,0|3,0,1]=4 521 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,0,0,0,0,0|3,0,1]=4 522 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,0,0,0,0,0|1,0,2]=3 523 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,0,0,0,0,0|3,0,1]=4 524 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,0,0,0,0,0|3,0,1]=4 525 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,0,0,0,0,0|3,0,1]=4 526 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,0,0,0,0,0|3,0,1]=4 527 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,0,0,0,0,0|3,0,1]=4 528 B10R0.91 CCCSCC(=O)NCC#N 1626a_100000734998_100000217233 [0,0,0,0,0,0|3,0,1]=4 529 B10R0.91 CCCSCC(=O)NCC#N 527a_100000734998_100000217233 [0,0,0,0,0,0|3,0,1]=4 530 B10R0.91 CCCSCC(=O)NCC#N 62a_100000210303_100000736037 [0,0,0,0,0,0|3,0,1]=4 531 B10R0.91 CCCSCC(=O)NCC#N 62a_100000736037_100000210303 [0,0,0,0,0,0|3,0,1]=4 532 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,0,0,0,0,0|3,0,1]=4 533 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,0,0,0,0,0|3,0,1]=4 534 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,0,0,0,0,0|3,0,1]=4 535 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,0,0,0,0,0|3,0,1]=4 536 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,0,0,0,0,0|3,0,1]=4 537 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,0,0,0,0,0|3,0,1]=4 538 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,0,0,0,0,0|3,0,1]=4 539 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,0,0,0,0,0|3,0,1]=4 540 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,0,0,0,0,0|3,0,1]=4 541 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,0,0,0,0,0|3,0,1]=4 542 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,0,0,0,0,0|3,0,1]=4 543 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,0,0,0,0,0|3,0,1]=4 544 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,0,0,0,0,0|3,0,1]=4 545 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,0,0,0,0,0|3,0,1]=4 546 B10R0.91 CCOCCC(=O)NCC#N 1626a_100000734998_100000749530 [0,0,0,0,0,0|3,0,1]=4 547 B10R0.91 CCOCCC(=O)NCC#N 527a_100000734998_100000749530 [0,0,0,0,0,0|3,0,1]=4 548 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,0,0,0,0,0|3,0,1]=4 549 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,0,0,0,0,0|3,0,1]=4 550 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,0,0,0,0,0|3,0,1]=4 551 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,0,0,0,0,0|3,0,1]=4 552 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,0,0,0,0,0|3,0,1]=4 553 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,0,0,0,0,0|3,0,1]=4 554 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,0,0,0,0,0|3,0,1]=4 555 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,0,0,0,0,0|3,0,1]=4 556 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,0,0,0,0,0|3,0,1]=4 557 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,0,0,0,0,0|3,0,1]=4 558 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,0,0,0,0,0|3,0,1]=4 559 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,0,0,0,0,0|3,0,1]=4 560 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,0,0,0,0,0|3,0,1]=4 561 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,0,0,0,0,0|3,0,1]=4 562 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,0,0,0,0,0|3,0,1]=4 563 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,0,0,0,0,0|3,0,1]=4 564 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,0,0,0,0,0|3,0,1]=4 565 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,0,0,0,0,0|3,0,1]=4 566 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,0,0,0,0,0|3,0,1]=4 567 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,0,0,0,0,0|3,0,1]=4 568 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,0,0,0,0,0|3,0,1]=4 569 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,0,0,0,0,0|3,0,1]=4 570 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,0,0,0,0,0|3,0,1]=4 571 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,0,0,0,0,0|3,0,1]=4 572 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,0,0,0,0,0|3,0,1]=4 573 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,0,0,0,0,0|3,0,1]=4 574 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,0,0,0,0,0|3,0,1]=4 575 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,0,0,0,0,0|3,0,1]=4 576 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,0,0,0,0,0|3,0,1]=4 577 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,0,0,0,0,0|3,0,1]=4 578 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,0,0,0,0,0|3,0,1]=4 580 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,0,0,0,0,0|3,0,1]=4 581 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,0,0,0,0,0|3,0,1]=4 582 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,0,0,0,0,0|3,0,1]=4 583 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,0,0,0,0,0|3,0,1]=4 584 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,0,0,0,0,0|3,0,1]=4 585 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,0,0,0,0,0|3,0,1]=4 586 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,0,0,0,0,0|3,0,1]=4 587 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,0,0,0,0,0|3,0,1]=4 588 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,0,0,0,0,0|3,0,1]=4 589 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,0,0,0,0,0|3,0,1]=4 590 B10R0.91 COCCCC(C)OCC=O 34a_200011539412_200009817547 [0,0,0,0,0,0|3,0,1]=4 591 B10R0.91 COCCCC(C)OCC=O 7a_200011539412_200015260668 [0,0,0,0,0,0|3,0,1]=4 592 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,0,0,0,0,0|3,0,1]=4 593 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,0,0,0,0,0|3,0,1]=4 594 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,0,0,0,0,0|3,0,1]=4 595 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,0,0,0,0,0|3,0,1]=4 596 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,0,0,0,0,0|3,0,1]=4 597 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,0,0,0,0,0|3,0,1]=4 598 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,0,0,0,0,0|3,0,1]=4 599 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,0,0,0,0,0|3,0,1]=4 600 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,0,0,0,0,0|3,0,1]=4 601 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,0,0,0,0,0|3,0,1]=4 602 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,0,0,0,0,0|3,0,1]=4 603 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,0,0,0,0,0|3,0,1]=4 604 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,0,0,0,0,0|3,0,1]=4 605 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,0,0,0,0,0|3,0,1]=4 606 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,0,0,0,0,0|3,0,1]=4 607 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,0,0,0,0,0|3,0,1]=4 608 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,0,0,0,0,0|3,0,1]=4 609 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,0,0,0,0,0|3,0,1]=4 610 B10R0.91 N#CCNC(=O)CCCCO 1626a_100000734998_100000695505 [0,0,0,0,0,0|3,0,1]=4 611 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,0,0,0,0,0|3,0,1]=4 612 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,0,0,0,0,0|3,0,1]=4 613 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,0,0,0,0,0|3,0,1]=4 614 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|0,0,2]=3 615 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|0,0,2]=3 616 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [1,0,0,0,0,0|1,0,2]=4 617 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [1,0,0,0,0,0|1,0,2]=4 618 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [1,0,0,0,0,0|1,0,2]=4 619 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [1,0,0,0,0,0|1,0,2]=4 620 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [1,0,0,0,0,0|1,0,2]=4 621 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [1,0,0,0,0,0|1,0,2]=4 622 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [1,0,0,0,0,0|1,0,2]=4 623 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [1,0,0,0,0,0|1,0,2]=4 624 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [1,0,0,0,0,0|1,0,2]=4 625 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [1,0,0,0,0,0|1,0,2]=4 626 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [1,0,0,0,0,0|1,0,2]=4 627 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [1,0,0,0,0,0|1,0,2]=4 628 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 629 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 630 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000210193_100000731252 [1,0,0,0,0,0|0,0,2]=3 631 B9R0.5 C#CCCCC(=O)CC=C 1458a_100000690238_100000210623 [1,0,0,0,0,0|0,0,2]=3 632 B9R0.5 C#CCCNC(=O)CC=C 11a_100000755551_100000210193 [1,0,0,0,0,0|1,0,2]=4 633 B9R0.5 C#CCCNC(=O)CC=C 1626a_100000755551_100000210193 [1,0,0,0,0,0|1,0,2]=4 634 B9R0.5 C#CCCNC(=O)CC=C 240690a_100000755551_100000210193 [1,0,0,0,0,0|1,0,2]=4 635 B9R0.5 C#CCCNC(=O)CC=C 527a_100000755551_100000210193 [1,0,0,0,0,0|1,0,2]=4 636 B9R0.5 C#CCNCC(=O)OC=C 34a_100000212058_100000036128 [1,0,0,0,0,0|1,0,2]=4 637 B9R0.5 C#CCOCC(=O)CC=C 1458a_100011251226_100000210623 [1,0,0,0,0,0|1,0,2]=4 638 B9R0.5 C#CCOCC(=O)OC=C 34a_100000210247_100000036128 [1,0,0,0,0,0|1,0,2]=4 639 B9R0.5 C#CCSCC(=O)OC=C 62a_100000038162_100000036128 [1,0,0,0,0,0|1,0,2]=4 640 B9R0.5 C=CCC(=O)C#CCCC 1458a_200011218047_100000210623 [1,0,0,0,0,0|0,0,2]=3 641 B9R0.5 C=CCC(=O)C/C=C/CC 1458a_100016274230_100000210623 [1,0,0,0,0,0|0,0,2]=3 642 B9R0.5 C=CCC(=O)C/C=C\CC 1458a_100000210193_100103147603 [1,0,0,0,0,0|0,0,2]=3 643 B9R0.5 C=CCC(=O)C=CCCC 1458a_100000212230_100000210623 [1,0,0,0,0,0|0,0,2]=3 644 B9R0.5 C=CCC(=O)C=CCOC 1458a_100016285016_100000210623 [1,0,0,0,0,0|1,0,2]=4 645 B9R0.5 C=CCC(=O)C=COCC 1458a_100016266692_100000210623 [1,0,0,0,0,0|1,0,2]=4 646 B9R0.5 C=CCC(=O)CC#CCC 1458a_100000210193_100009813939 [1,0,0,0,0,0|0,0,2]=3 647 B9R0.5 C=CCC(=O)CC#CCO 1458a_100000210193_200000047223 [1,0,0,0,0,0|1,0,2]=4 648 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000075515_100000210623 [1,0,0,0,0,0|1,0,1]=3 649 B9R0.5 C=CCC(=O)CCCC#N 1458a_100000210193_100000211468 [1,0,0,0,0,0|1,0,1]=3 650 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|0,0,0]=1 651 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|0,0,0]=1 652 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [1,0,0,0,0,0|1,0,0]=2 653 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [1,0,0,0,0,0|1,0,0]=2 654 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [1,0,0,0,0,0|1,0,0]=2 655 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [1,0,0,0,0,0|1,0,0]=2 656 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [1,0,0,0,0,0|1,0,0]=2 657 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [1,0,0,0,0,0|1,0,0]=2 658 B9R0.5 C=CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210623 [1,0,0,0,0,0|3,0,0]=4 659 B9R0.5 C=CCC(=O)CCOC=C 1458a_100000210193_100000039644 [1,0,0,0,0,0|1,0,2]=4 660 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [1,0,0,0,0,0|1,0,0]=2 661 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [1,0,0,0,0,0|1,0,0]=2 662 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [1,0,0,0,0,0|1,0,0]=2 663 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [1,0,0,0,0,0|1,0,0]=2 664 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [1,0,0,0,0,0|1,0,0]=2 665 B9R0.5 C=CCC(=O)COCCO 1458a_100000708028_100000210623 [1,0,0,0,0,0|2,0,0]=3 666 B9R0.5 C=CCC(=O)CSCC#N 1458a_100000150266_100000210623 [1,0,0,0,0,0|2,0,1]=4 667 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [1,0,0,0,0,0|1,0,0]=2 668 B9R0.5 C=CCC(=O)NCC#CC 11a_100000685387_100000210193 [1,0,0,0,0,0|1,0,2]=4 669 B9R0.5 C=CCC(=O)NCC#CC 1626a_100000685387_100000210193 [1,0,0,0,0,0|1,0,2]=4 670 B9R0.5 C=CCC(=O)NCC#CC 527a_100000685387_100000210193 [1,0,0,0,0,0|1,0,2]=4 671 B9R0.5 C=CCC(=O)NCCC#N 11a_100000720768_100000210193 [1,0,0,0,0,0|2,0,1]=4 672 B9R0.5 C=CCC(=O)NCCC#N 1626a_100000720768_100000210193 [1,0,0,0,0,0|2,0,1]=4 673 B9R0.5 C=CCC(=O)NCCC#N 240690a_100000720768_100000210193 [1,0,0,0,0,0|2,0,1]=4 674 B9R0.5 C=CCC(=O)NCCC#N 527a_100000720768_100000210193 [1,0,0,0,0,0|2,0,1]=4 675 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,0,0,0,0,0|1,0,0]=2 676 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,0,0,0,0,0|1,0,0]=2 677 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,0,0,0,0,0|1,0,0]=2 678 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,0,0,0,0,0|1,0,0]=2 679 B9R0.5 C=CCC(=O)NCCCF 11a_100015189416_100000210193 [1,0,0,0,0,0|2,0,0]=3 680 B9R0.5 C=CCC(=O)NCCCF 1626a_100015189416_100000210193 [1,0,0,0,0,0|2,0,0]=3 681 B9R0.5 C=CCC(=O)NCCCF 240690a_100015189416_100000210193 [1,0,0,0,0,0|2,0,0]=3 682 B9R0.5 C=CCC(=O)NCCCF 527a_100015189416_100000210193 [1,0,0,0,0,0|2,0,0]=3 683 B9R0.5 C=CCC(=O)NCCCO 240690a_100000182051_100000210193 [1,0,0,0,0,0|2,0,0]=3 684 B9R0.5 C=CCC(=O)NCCCO 527a_100000182051_100000210193 [1,0,0,0,0,0|2,0,0]=3 685 B9R0.5 C=CCC(=O)NCCOC 1626a_100000209980_100000210193 [1,0,0,0,0,0|2,0,0]=3 686 B9R0.5 C=CCC(=O)NCCOC 240690a_100000209980_100000210193 [1,0,0,0,0,0|2,0,0]=3 687 B9R0.5 C=CCC(=O)NCCOC 527a_100000209980_100000210193 [1,0,0,0,0,0|2,0,0]=3 688 B9R0.5 C=CCC(=O)NCCSC 11a_100020590264_100000210193 [1,0,0,0,0,0|2,0,0]=3 689 B9R0.5 C=CCC(=O)NCCSC 1626a_100020590264_100000210193 [1,0,0,0,0,0|2,0,0]=3 690 B9R0.5 C=CCC(=O)NCCSC 240690a_100020590264_100000210193 [1,0,0,0,0,0|2,0,0]=3 691 B9R0.5 C=CCC(=O)NCCSC 527a_100020590264_100000210193 [1,0,0,0,0,0|2,0,0]=3 692 B9R0.5 C=CCC(=O)NNCCC 22a_100000740057_100000210193 [1,0,0,0,0,0|2,0,0]=3 693 B9R0.5 C=CCC(=O)NNCCO 22a_100000210001_100000210193 [1,0,0,0,0,0|3,0,0]=4 694 B9R0.5 C=CCC(C)COCCC 34a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 695 B9R0.5 C=CCC(C)COCCC 7a_100009832082_100000210303 [1,0,0,0,0,0|2,0,1]=4 696 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000210193_100000757094 [1,0,0,0,0,0|0,0,2]=3 697 B9R0.5 C=CCCCC(=O)CC=C 1458a_100000766728_100000210623 [1,0,0,0,0,0|0,0,2]=3 698 B9R0.5 C=CCCNC(=O)CC=C 11a_100015191253_100000210193 [1,0,0,0,0,0|1,0,2]=4 699 B9R0.5 C=CCCNC(=O)CC=C 1626a_100015191253_100000210193 [1,0,0,0,0,0|1,0,2]=4 700 B9R0.5 C=CCCNC(=O)CC=C 240690a_100015191253_100000210193 [1,0,0,0,0,0|1,0,2]=4 701 B9R0.5 C=CCCNC(=O)CC=C 527a_100015191253_100000210193 [1,0,0,0,0,0|1,0,2]=4 702 B9R0.5 C=CCN(C)CCCCC 2230a_100000223495_100000210623 [1,0,0,0,0,0|2,0,0]=3 703 B9R0.5 C=CCN(C)CCCCC 2230a_100000225617_100000210326 [1,0,0,0,0,0|2,0,0]=3 704 B9R0.5 C=CCN(C)CCCCC 269982a_100000223495_100000210623 [1,0,0,0,0,0|2,0,0]=3 705 B9R0.5 C=CCN(C)CCCCC 269982a_100000225617_100000210215 [1,0,0,0,0,0|2,0,0]=3 706 B9R0.5 C=CCN(C)CCCCF 2230a_100000225617_100000729493 [1,0,0,0,0,0|3,0,0]=4 707 B9R0.5 C=CCN(C)CCCCF 269982a_100000225617_100000729493 [1,0,0,0,0,0|3,0,0]=4 708 B9R0.5 C=CCN(C)CCCCO 2230a_100000225617_100000210776 [1,0,0,0,0,0|3,0,0]=4 709 B9R0.5 C=CCN(C)CCCCO 2230a_100000717598_100000210623 [1,0,0,0,0,0|3,0,0]=4 710 B9R0.5 C=CCN(C)CCCCO 269982a_100000225617_100000210776 [1,0,0,0,0,0|3,0,0]=4 711 B9R0.5 C=CCN(C)CCCCO 269982a_100000717598_100000210623 [1,0,0,0,0,0|3,0,0]=4 712 B9R0.5 C=CCN(C)CCCOC 2230a_100000224831_100000210623 [1,0,0,0,0,0|3,0,0]=4 713 B9R0.5 C=CCN(C)CCCOC 2230a_100000225617_100000740836 [1,0,0,0,0,0|3,0,0]=4 714 B9R0.5 C=CCN(C)CCCOC 269982a_100000224831_100000210623 [1,0,0,0,0,0|3,0,0]=4 715 B9R0.5 C=CCN(C)CCCOC 269982a_100000225617_100000740836 [1,0,0,0,0,0|3,0,0]=4 716 B9R0.5 C=CCN(C)CCOCC 2230a_100000225617_100011215890 [1,0,0,0,0,0|3,0,0]=4 717 B9R0.5 C=CCN(C)CCOCC 269982a_100000225617_100011215890 [1,0,0,0,0,0|3,0,0]=4 718 B9R0.5 C=CCN(C)CCSCC 2230a_100000225617_100000757381 [1,0,0,0,0,0|3,0,0]=4 719 B9R0.5 C=CCN(C)CCSCC 269982a_100000225617_100000757381 [1,0,0,0,0,0|3,0,0]=4 720 B9R0.5 C=CCNCC(=O)OC=C 2230a_100020586998_100000036128 [1,0,0,0,0,0|1,0,2]=4 721 B9R0.5 C=CCOCC(=O)OC=C 34a_200000210373_100000036128 [1,0,0,0,0,0|1,0,2]=4 722 B9R0.5 C=CCSCC(=O)CC=C 1458a_100000230395_100000210623 [1,0,0,0,0,0|1,0,2]=4 723 B9R0.5 C=CCSCC(=O)OC=C 62a_100000036128_100000210623 [1,0,0,0,0,0|1,0,2]=4 724 B9R0.5 C=CCSCC(=O)OC=C 62a_100000210623_100000036128 [1,0,0,0,0,0|1,0,2]=4 725 B9R0.5 C=CC[C@@H](C)OCCCC 34a_100000731007_100000210210 [1,0,0,0,0,0|2,0,1]=4 726 B9R0.5 C=CC[C@@H](C)OCCCC 7a_100000731007_100000210211 [1,0,0,0,0,0|2,0,1]=4 727 B9R0.5 C=CC[C@@H](N)COCCC 34a_100020615467_100000210303 [1,0,0,0,0,0|2,0,1]=4 728 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [1,0,0,0,0,0|2,0,0]=3 729 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [1,0,0,0,0,0|2,0,0]=3 730 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [1,0,0,0,0,0|2,0,0]=3 731 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [1,0,0,0,0,0|2,0,0]=3 732 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,0,0,0,0,0|1,0,0]=2 733 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [1,0,0,0,0,0|2,0,0]=3 734 B9R0.5 C=COC(=O)CSCC#N 62a_100000036128_100011215382 [1,0,0,0,0,0|2,0,1]=4 735 B9R0.5 C=COC(=O)CSCC#N 62a_100011215382_100000036128 [1,0,0,0,0,0|2,0,1]=4 736 B9R0.5 C=COC(=O)CSCC=O 62a_100000036128_200015260668 [1,0,0,0,0,0|2,0,1]=4 737 B9R0.5 C=COC(=O)CSCC=O 62a_200015260668_100000036128 [1,0,0,0,0,0|2,0,1]=4 738 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,0,0,0,0|1,0,0]=2 739 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,0,0,0,0|1,0,0]=2 740 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [1,0,0,0,0,0|2,0,0]=3 741 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [1,0,0,0,0,0|2,0,0]=3 742 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [1,0,0,0,0,0|2,0,0]=3 743 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [1,0,0,0,0,0|2,0,0]=3 744 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [1,0,0,0,0,0|2,0,0]=3 745 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [1,0,0,0,0,0|2,0,0]=3 746 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [1,0,0,0,0,0|2,0,0]=3 747 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [1,0,0,0,0,0|2,0,0]=3 748 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|0,0,3]=4 749 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|0,0,2]=3 750 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,0,0,0,0|1,0,2]=4 751 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|1,0,2]=4 752 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,0,0,0,0|1,0,2]=4 753 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|1,0,2]=4 754 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,0,0,0,0|1,0,2]=4 755 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 756 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 757 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 758 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|1,0,2]=4 759 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|1,0,2]=4 760 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|1,0,2]=4 761 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|1,0,2]=4 762 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|1,0,2]=4 763 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|1,0,2]=4 764 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|1,0,2]=4 765 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|1,0,2]=4 766 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|1,0,2]=4 767 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|1,0,2]=4 768 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|1,0,1]=3 769 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|1,0,1]=3 770 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|1,0,1]=3 771 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|1,0,1]=3 772 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|1,0,1]=3 773 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|0,0,2]=3 774 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|0,0,2]=3 775 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|1,0,1]=3 776 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|1,0,1]=3 777 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|1,0,1]=3 778 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|1,0,1]=3 779 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|1,0,1]=3 780 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|1,0,1]=3 781 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|1,0,1]=3 782 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|1,0,1]=3 783 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|1,0,1]=3 784 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|1,0,1]=3 785 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|1,0,1]=3 786 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|1,0,1]=3 787 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|1,0,1]=3 788 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 789 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 790 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,1]=3 791 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,1]=4 792 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|1,0,2]=4 793 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|1,0,2]=4 794 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|1,0,2]=4 795 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 796 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 797 B9R0.5 CCCCCN(C)CC=O 2230a_100000223495_200015260668 [1,0,0,0,0,0|3,0,0]=4 798 B9R0.5 CCCCCN(C)CC=O 269982a_100000223495_200015260668 [1,0,0,0,0,0|3,0,0]=4 799 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [1,0,0,0,0,0|2,0,1]=4 800 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [1,0,0,0,0,0|2,0,1]=4 801 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [1,0,0,0,0,0|2,0,1]=4 802 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [1,0,0,0,0,0|2,0,1]=4 803 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [1,0,0,0,0,0|2,0,1]=4 804 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [1,0,0,0,0,0|2,0,1]=4 805 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 806 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 807 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|1,0,2]=4 808 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|1,0,2]=4 809 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|1,0,2]=4 810 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|1,0,2]=4 811 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,1]=4 812 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|2,0,1]=4 813 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|2,0,1]=4 814 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|2,0,1]=4 815 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|2,0,1]=4 816 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|2,0,1]=4 817 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|2,0,1]=4 818 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|2,0,1]=4 819 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|2,0,1]=4 820 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|2,0,1]=4 821 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|2,0,1]=4 822 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|2,0,1]=4 823 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|2,0,1]=4 824 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|2,0,1]=4 825 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|2,0,1]=4 826 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|2,0,1]=4 827 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|2,0,1]=4 828 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 829 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 830 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 831 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 832 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,1]=4 833 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,1]=4 834 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|2,0,1]=4 835 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|2,0,1]=4 836 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|2,0,1]=4 837 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|2,0,1]=4 838 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|2,0,1]=4 839 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|2,0,1]=4 840 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|2,0,1]=4 841 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|2,0,1]=4 842 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,1]=4 843 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [1,0,0,0,0,0|2,0,1]=4 844 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|1,0,2]=4 845 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|2,0,1]=4 846 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|2,0,1]=4 847 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,1]=4 848 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,1]=4 849 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,1]=4 850 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,1]=4 851 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 852 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|1,0,1]=3 853 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [1,0,0,0,0,0|2,0,1]=4 854 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|1,0,2]=4 855 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|1,0,2]=4 856 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|1,0,2]=4 857 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|2,0,1]=4 858 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|2,0,1]=4 859 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,1]=4 860 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,1]=4 861 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,1]=4 862 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,1]=4 863 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,1]=4 864 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 865 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 866 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|1,0,1]=3 867 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|1,0,1]=3 868 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 869 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 870 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,1]=4 871 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 872 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 873 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,1]=4 874 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|2,0,1]=4 875 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|2,0,1]=4 876 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|2,0,1]=4 877 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|2,0,1]=4 878 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|2,0,1]=4 879 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|2,0,1]=4 880 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|2,0,1]=4 881 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|2,0,1]=4 882 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,1]=4 883 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,1]=4 884 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,1]=3 885 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|1,0,1]=3 886 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|1,0,1]=3 887 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|1,0,1]=3 888 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|1,0,1]=3 889 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|1,0,1]=3 890 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|1,0,1]=3 891 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|1,0,1]=3 892 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|1,0,1]=3 893 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|1,0,1]=3 894 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|1,0,1]=3 895 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|1,0,1]=3 896 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|1,0,1]=3 897 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|2,0,1]=4 898 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|2,0,1]=4 899 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|2,0,1]=4 900 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,1]=4 901 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,1]=4 902 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|2,0,1]=4 903 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|2,0,1]=4 904 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|2,0,1]=4 905 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|2,0,1]=4 906 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,1]=4 907 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,1]=4 908 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|2,0,1]=4 909 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|2,0,1]=4 910 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|2,0,1]=4 911 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|2,0,1]=4 912 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|2,0,1]=4 913 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|2,0,1]=4 914 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|2,0,1]=4 915 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|2,0,1]=4 916 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|2,0,1]=4 917 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,1]=4 918 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [1,0,0,0,0,0|2,0,1]=4 919 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [1,0,0,0,0,0|2,0,1]=4 920 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [1,0,0,0,0,0|2,0,1]=4 921 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [1,0,0,0,0,0|2,0,1]=4 922 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [1,0,0,0,0,0|2,0,1]=4 923 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|2,0,1]=4 924 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|2,0,1]=4 925 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|2,0,1]=4 926 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|2,0,1]=4 927 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|2,0,1]=4 928 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|1,0,1]=3 929 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [1,0,0,0,0,0|2,0,1]=4 930 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [1,0,0,0,0,0|2,0,1]=4 931 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [1,0,0,0,0,0|2,0,1]=4 932 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [1,0,0,0,0,0|2,0,1]=4 933 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [1,0,0,0,0,0|2,0,1]=4 934 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|2,0,1]=4 935 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|2,0,1]=4 936 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|2,0,1]=4 937 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|2,0,1]=4 938 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|2,0,1]=4 939 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|2,0,1]=4 940 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|2,0,1]=4 941 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [1,0,0,0,0,0|2,0,1]=4 942 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [1,0,0,0,0,0|2,0,1]=4 943 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [1,0,0,0,0,0|2,0,1]=4 944 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [1,0,0,0,0,0|2,0,1]=4 945 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [1,0,0,0,0,0|2,0,1]=4 946 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|2,0,1]=4 947 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|2,0,1]=4 948 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|2,0,1]=4 949 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|2,0,1]=4 950 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|2,0,1]=4 951 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|2,0,1]=4 952 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|2,0,1]=4 953 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [1,0,0,0,0,0|2,0,1]=4 954 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|2,0,1]=4 955 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|2,0,1]=4 956 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [1,0,0,0,0,0|2,0,1]=4 957 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [1,0,0,0,0,0|2,0,1]=4 958 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [1,0,0,0,0,0|2,0,1]=4 959 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [1,0,0,0,0,0|2,0,1]=4 960 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [1,0,0,0,0,0|2,0,1]=4 961 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [1,0,0,0,0,0|2,0,1]=4 962 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [1,0,0,0,0,0|2,0,1]=4 963 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [1,0,0,0,0,0|2,0,1]=4 964 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [1,0,0,0,0,0|2,0,1]=4 965 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|2,0,1]=4 966 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|2,0,1]=4 967 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|2,0,1]=4 968 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|2,0,1]=4 969 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000692101_100000754431 [1,0,0,0,0,0|1,0,2]=4 970 B9R0.18 C#CCCC(=O)CCC=C 1458a_100000749702_100000753159 [1,0,0,0,0,0|1,0,2]=4 971 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,0,0,0,0,0|1,0,2]=4 972 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,0,0,0,0,0|1,0,2]=4 973 B9R0.18 C#CCCC(=O)NCC=C 1626a_100020586998_100000692101 [1,0,0,0,0,0|1,0,2]=4 974 B9R0.18 C#CCCC(=O)NCC=C 240690a_100020586998_100000692101 [1,0,0,0,0,0|1,0,2]=4 975 B9R0.18 C#CCCC(=O)NCC=C 527a_100020586998_100000692101 [1,0,0,0,0,0|1,0,2]=4 976 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 977 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 978 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 979 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 980 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,0,0,0,0,0|1,0,2]=4 981 B9R0.18 C=CC=CC(=O)CCCC 1458a_100016291481_100000210211 [1,0,0,0,0,0|1,0,1]=3 982 B9R0.18 C=CC=CC(=O)CCCF 1458a_100016291481_100011934791 [1,0,0,0,0,0|2,0,1]=4 983 B9R0.18 C=CC=CC(=O)CCCO 1458a_100016291481_100011215043 [1,0,0,0,0,0|2,0,1]=4 984 B9R0.18 C=CC=CC(=O)CCOC 1458a_100016291481_100000233755 [1,0,0,0,0,0|2,0,1]=4 985 B9R0.18 C=CC=CC(=O)CCSC 1458a_100016291481_100000751147 [1,0,0,0,0,0|2,0,1]=4 986 B9R0.18 C=CC=CC(=O)NCCC 1626a_100020643023_100016291481 [1,0,0,0,0,0|2,0,1]=4 987 B9R0.18 C=CCCC(=O)C#CCC 1458a_100011827653_100000754431 [1,0,0,0,0,0|1,0,2]=4 988 B9R0.18 C=CCCC(=O)C/C=C/C 1458a_100000749702_100102629194 [1,0,0,0,0,0|1,0,2]=4 989 B9R0.18 C=CCCC(=O)C=CCC 1458a_100000212282_100000754431 [1,0,0,0,0,0|1,0,2]=4 990 B9R0.18 C=CCCC(=O)CC#CC 1458a_100000749702_100000748600 [1,0,0,0,0,0|1,0,2]=4 991 B9R0.18 C=CCCC(=O)CC=CC 1458a_100000749702_100000070051 [1,0,0,0,0,0|1,0,2]=4 992 B9R0.18 C=CCCC(=O)CC=CC 1458a_100121576822_100000754431 [1,0,0,0,0,0|1,0,2]=4 993 B9R0.18 C=CCCC(=O)CCC#N 1458a_100000749702_100011215226 [1,0,0,0,0,0|2,0,1]=4 994 B9R0.18 C=CCCC(=O)CCC#N 1458a_100011934036_100000754431 [1,0,0,0,0,0|2,0,1]=4 995 B9R0.18 C=CCCC(=O)CCC=C 1458a_100000749702_100000754431 [1,0,0,0,0,0|1,0,2]=4 996 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,0,0,0,0,0|1,0,0]=2 997 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,0,0,0,0,0|1,0,0]=2 998 B9R0.18 C=CCCC(=O)CCCF 1458a_100000749702_100011934791 [1,0,0,0,0,0|2,0,0]=3 999 B9R0.18 C=CCCC(=O)CCCO 1458a_100000749702_100011215043 [1,0,0,0,0,0|2,0,0]=3 1000 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749529_100000754431 [1,0,0,0,0,0|2,0,0]=3 1001 B9R0.18 C=CCCC(=O)CCOC 1458a_100000749702_100000233755 [1,0,0,0,0,0|2,0,0]=3 1002 B9R0.18 C=CCCC(=O)CCSC 1458a_100000174002_100000754431 [1,0,0,0,0,0|2,0,0]=3 1003 B9R0.18 C=CCCC(=O)CCSC 1458a_100000749702_100000751147 [1,0,0,0,0,0|2,0,0]=3 1004 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,0,0,0,0,0|2,0,0]=3 1005 B9R0.18 C=CCCC(=O)CSCC 1458a_100000230394_100000754431 [1,0,0,0,0,0|2,0,0]=3 1006 B9R0.18 C=CCCC(=O)NCC=C 1626a_100020586998_100000749702 [1,0,0,0,0,0|1,0,2]=4 1007 B9R0.18 C=CCCC(=O)NCC=C 240690a_100020586998_100000749702 [1,0,0,0,0,0|1,0,2]=4 1008 B9R0.18 C=CCCC(=O)NCC=C 527a_100020586998_100000749702 [1,0,0,0,0,0|1,0,2]=4 1009 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,0,0,0,0,0|2,0,0]=3 1010 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,0,0,0,0,0|2,0,0]=3 1011 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,0,0,0,0,0|2,0,0]=3 1012 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,0,0,0,0,0|2,0,0]=3 1013 B9R0.18 C=CCCC(=O)NCCF 11a_100000724931_100000749702 [1,0,0,0,0,0|3,0,0]=4 1014 B9R0.18 C=CCCC(=O)NCCF 1626a_100000724931_100000749702 [1,0,0,0,0,0|3,0,0]=4 1015 B9R0.18 C=CCCC(=O)NCCF 240690a_100000724931_100000749702 [1,0,0,0,0,0|3,0,0]=4 1016 B9R0.18 C=CCCC(=O)NCCF 527a_100000724931_100000749702 [1,0,0,0,0,0|3,0,0]=4 1017 B9R0.18 C=CCCC(=O)NCCO 240690a_100000210304_100000749702 [1,0,0,0,0,0|3,0,0]=4 1018 B9R0.18 C=CCCC(=O)NCCO 527a_100000210304_100000749702 [1,0,0,0,0,0|3,0,0]=4 1019 B9R0.18 C=CCCC(=O)NNCC 22a_100000756455_100000749702 [1,0,0,0,0,0|3,0,0]=4 1020 B9R0.18 C=CCCN(C)CCCC 2230a_100000207549_100000754431 [1,0,0,0,0,0|3,0,0]=4 1021 B9R0.18 C=CCCN(C)CCCC 2230a_100020639649_100000210211 [1,0,0,0,0,0|3,0,0]=4 1022 B9R0.18 C=CCCN(C)CCCC 269982a_100000207549_100000754431 [1,0,0,0,0,0|3,0,0]=4 1023 B9R0.18 C=CCCN(C)CCCC 269982a_100020639649_100000210211 [1,0,0,0,0,0|3,0,0]=4 1024 B9R0.18 C=CCNC(=O)C=CCC 1626a_100020586998_100000212282 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.18 C=CCNC(=O)C=CCC 240690a_100020586998_100000212282 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.18 C=CCNC(=O)CC=CC 1626a_100020586998_100121576822 [1,0,0,0,0,0|1,0,2]=4 1027 B9R0.18 C=CCNC(=O)CC=CC 240690a_100020586998_100121576822 [1,0,0,0,0,0|1,0,2]=4 1028 B9R0.18 C=CCNC(=O)CC=CC 527a_100020586998_100121576822 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.18 C=CCNC(=O)CCC#N 1626a_100020586998_100011934036 [1,0,0,0,0,0|2,0,1]=4 1030 B9R0.18 C=CCNC(=O)CCC#N 240690a_100020586998_100011934036 [1,0,0,0,0,0|2,0,1]=4 1031 B9R0.18 C=CCNC(=O)CCC#N 527a_100020586998_100011934036 [1,0,0,0,0,0|2,0,1]=4 1032 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,0,0,0,0,0|1,0,0]=2 1033 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,0,0,0,0,0|1,0,0]=2 1034 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,0,0,0,0,0|1,0,0]=2 1035 B9R0.18 C=CCNC(=O)CCNC 2230a_106832991635_100011222895 [1,0,0,0,0,0|2,0,0]=3 1036 B9R0.18 C=CCNC(=O)CCNC 7a_106832991635_100011222895 [1,0,0,0,0,0|2,0,0]=3 1037 B9R0.18 C=CCNC(=O)CCOC 1626a_100020586998_100000749529 [1,0,0,0,0,0|2,0,0]=3 1038 B9R0.18 C=CCNC(=O)CCOC 240690a_100020586998_100000749529 [1,0,0,0,0,0|2,0,0]=3 1039 B9R0.18 C=CCNC(=O)CCOC 527a_100020586998_100000749529 [1,0,0,0,0,0|2,0,0]=3 1040 B9R0.18 C=CCNC(=O)CCSC 1626a_100020586998_100000174002 [1,0,0,0,0,0|2,0,0]=3 1041 B9R0.18 C=CCNC(=O)CCSC 240690a_100020586998_100000174002 [1,0,0,0,0,0|2,0,0]=3 1042 B9R0.18 C=CCNC(=O)CCSC 527a_100020586998_100000174002 [1,0,0,0,0,0|2,0,0]=3 1043 B9R0.18 C=CCNC(=O)CCSC 62a_100011222895_200000210301 [1,0,0,0,0,0|2,0,0]=3 1044 B9R0.18 C=CCNC(=O)CCSC 62a_200000210301_100011222895 [1,0,0,0,0,0|2,0,0]=3 1045 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_100011222895_200025704644 [1,0,0,0,0,0|2,0,0]=3 1046 B9R0.18 C=CCNC(=O)CCS[13CH3] 62a_200025704644_100011222895 [1,0,0,0,0,0|2,0,0]=3 1047 B9R0.18 C=CCNC(=O)CNCC 2230a_100015525214_100000183597 [1,0,0,0,0,0|2,0,0]=3 1048 B9R0.18 C=CCNC(=O)COCC 1626a_100020586998_100000211967 [1,0,0,0,0,0|2,0,0]=3 1049 B9R0.18 C=CCNC(=O)COCC 240690a_100020586998_100000211967 [1,0,0,0,0,0|2,0,0]=3 1050 B9R0.18 C=CCNC(=O)COCC 527a_100020586998_100000211967 [1,0,0,0,0,0|2,0,0]=3 1051 B9R0.18 C=CCNC(=O)CSCC 1626a_100020586998_100000230394 [1,0,0,0,0,0|2,0,0]=3 1052 B9R0.18 C=CCNC(=O)CSCC 240690a_100020586998_100000230394 [1,0,0,0,0,0|2,0,0]=3 1053 B9R0.18 C=CCNC(=O)CSCC 527a_100020586998_100000230394 [1,0,0,0,0,0|2,0,0]=3 1054 B9R0.18 C=CCNC(=O)CSCC 62a_100000183597_100000210202 [1,0,0,0,0,0|2,0,0]=3 1055 B9R0.18 C=CCNC(=O)CSCC 62a_100000210202_100000183597 [1,0,0,0,0,0|2,0,0]=3 1056 B9R0.18 C=CCNC(=O)CSCF 62a_100000183597_100015361967 [1,0,0,0,0,0|3,0,0]=4 1057 B9R0.18 C=CCNC(=O)CSCF 62a_100015361967_100000183597 [1,0,0,0,0,0|3,0,0]=4 1058 B9R0.18 C=CCNC(=O)NCCC 2708a_100020643023_100020586998 [1,0,0,0,0,0|2,0,0]=3 1059 B9R0.18 C=CCNC(=O)NCCC 273464a_100020586998_100020643023 [1,0,0,0,0,0|2,0,0]=3 1060 B9R0.18 C=CCNC(=O)NCCC 273464a_100020643023_100020586998 [1,0,0,0,0,0|2,0,0]=3 1061 B9R0.18 C=CCNC(=O)NCCC 512a_100020586998_100020643023 [1,0,0,0,0,0|2,0,0]=3 1062 B9R0.18 C=CCNC(=O)NCCC 512a_100020643023_100020586998 [1,0,0,0,0,0|2,0,0]=3 1063 B9R0.18 C=CCNC(=O)NCCF 273464a_100000724931_100020586998 [1,0,0,0,0,0|3,0,0]=4 1064 B9R0.18 C=CCNC(=O)NCCF 273464a_100020586998_100000724931 [1,0,0,0,0,0|3,0,0]=4 1065 B9R0.18 C=CCNC(=O)NCCF 512a_100020586998_100000724931 [1,0,0,0,0,0|3,0,0]=4 1066 B9R0.18 C=CCNC(=O)NCCO 273464a_100000210304_100020586998 [1,0,0,0,0,0|3,0,0]=4 1067 B9R0.18 C=CCNC(=O)NCCO 273464a_100020586998_100000210304 [1,0,0,0,0,0|3,0,0]=4 1068 B9R0.18 C=CCNC(=O)NCCO 512a_100020586998_100000210304 [1,0,0,0,0,0|3,0,0]=4 1069 B9R0.18 C=CCNC(=O)NNCC 273464a_100020586998_100000756455 [1,0,0,0,0,0|3,0,0]=4 1070 B9R0.18 C=CCNC(=O)NNCC 512a_100000756455_100020586998 [1,0,0,0,0,0|3,0,0]=4 1071 B9R0.18 C=CCNC(=O)NNCC 512a_100020586998_100000756455 [1,0,0,0,0,0|3,0,0]=4 1072 B9R0.18 C=CCNC(C)CCCC 2230a_100000126638_100000210623 [1,0,0,0,0,0|2,0,1]=4 1073 B9R0.18 C=CCNC(C)CCCC 2230a_100020586998_200011215066 [1,0,0,0,0,0|2,0,1]=4 1074 B9R0.18 C=CCNC(C)CCCC 270004a_100020586998_100000210087 [1,0,0,0,0,0|2,0,1]=4 1075 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,0,0,0,0,0|1,0,0]=2 1076 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,0,0,0,0,0|1,0,0]=2 1077 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,0,0,0,0,0|1,0,0]=2 1078 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,0,0,0,0,0|1,0,0]=2 1079 B9R0.18 C=CCOC(=O)CSCF 62a_100000033060_100015361967 [1,0,0,0,0,0|2,0,0]=3 1080 B9R0.18 C=CCOC(=O)CSCF 62a_100015361967_100000033060 [1,0,0,0,0,0|2,0,0]=3 1081 B9R0.18 C=CCOC(C)CCCC 34a_100000687866_100015514636 [1,0,0,0,0,0|1,0,1]=3 1082 B9R0.18 C=CCOC(C)CCCC 34a_200000210373_200011215066 [1,0,0,0,0,0|1,0,1]=3 1083 B9R0.18 C=CCOC(C)CCCC 7a_100000687866_100015514636 [1,0,0,0,0,0|1,0,1]=3 1084 B9R0.18 C=CCOC(C)CCCCl 34a_200000718107_100015514636 [1,0,0,0,0,0|2,0,1]=4 1085 B9R0.18 C=CCOC(C)CCCCl 7a_200000718107_100015514636 [1,0,0,0,0,0|2,0,1]=4 1086 B9R0.18 C=CCOC(C)COCC 34a_100000718985_100015514636 [1,0,0,0,0,0|2,0,1]=4 1087 B9R0.18 C=CCOC(C)COCC 7a_100000718985_100015514636 [1,0,0,0,0,0|2,0,1]=4 1088 B9R0.18 C=CCSC(C)CCCC 62a_100000210623_200011215066 [1,0,0,0,0,0|1,1,1]=4 1089 B9R0.18 C=CCSC(C)CCCC 62a_200011215066_100000210623 [1,0,0,0,0,0|1,1,1]=4 1090 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,0,0,0,0,0|1,0,2]=4 1091 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,0,0,0,0,0|1,0,2]=4 1092 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,0,0,0,0,0|2,0,1]=4 1093 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,0,0,0,0,0|2,0,1]=4 1094 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,0,0,0,0,0|2,0,1]=4 1095 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,0,0,0,0,0|1,0,2]=4 1096 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,0,0,0,0,0|2,0,1]=4 1097 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,0,0,0,0,0|2,0,1]=4 1098 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,0,0,0,0,0|2,0,1]=4 1099 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,0,0,0,0,0|2,0,1]=4 1100 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,0,0,0,0,0|2,0,1]=4 1101 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,0,0,0,0,0|2,0,1]=4 1102 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,0,0,0,0,0|2,0,1]=4 1104 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,0,0,0,0,0|1,0,2]=4 1105 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,0,0,0,0,0|1,0,2]=4 1106 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,0,0,0,0,0|1,0,2]=4 1107 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,0,0,0,0,0|1,0,2]=4 1108 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,0,0,0,0,0|2,0,1]=4 1109 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,0,0,0,0,0|2,0,1]=4 1110 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,0,0,0,0,0|2,0,1]=4 1111 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,0,0,0,0,0|2,0,1]=4 1112 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,0,0,0,0,0|2,0,1]=4 1113 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,0,0,0,0,0|2,0,1]=4 1114 B9R0.18 CCCCC(C)OCC=O 34a_100000687866_200009817547 [1,0,0,0,0,0|2,0,1]=4 1115 B9R0.18 CCCCC(C)OCC=O 7a_100000687866_200015260668 [1,0,0,0,0,0|2,0,1]=4 1116 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,0,0,0,0,0|1,0,2]=4 1117 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,0,0,0,0,0|1,0,2]=4 1118 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,0,0,0,0,0|1,0,2]=4 1119 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,0,0,0,0,0|1,0,2]=4 1120 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,0,0,0,0,0|2,0,1]=4 1121 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,0,0,0,0,0|2,0,1]=4 1122 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,0,0,0,0,0|2,0,1]=4 1123 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,0,0,0,0,0|2,0,1]=4 1124 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,0,0,0,0,0|2,0,1]=4 1125 B9R0.45 C#CCCCCOCC=C 34a_100000766709_100015514636 [1,0,0,0,0,0|0,0,3]=4 1126 B9R0.45 C#CCCCCOCC=C 34a_200000210373_100010269958 [1,0,0,0,0,0|0,0,3]=4 1127 B9R0.45 C#CCCCCOCC=C 7a_100000766709_100015514636 [1,0,0,0,0,0|0,0,3]=4 1128 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|0,0,3]=4 1129 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|0,0,3]=4 1130 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|0,0,3]=4 1131 B9R0.45 C=CCCC=NNCCC 4a_100000740057_100011216789 [1,0,0,0,0,0|3,0,0]=4 1132 B9R0.45 C=CCCCCCCNC 2230a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 1133 B9R0.45 C=CCCCCCCNC 34a_100102657272_100011215473 [1,0,0,0,0,0|2,0,1]=4 1134 B9R0.45 C=CCCCCCCNC 7a_106832991635_100011215473 [1,0,0,0,0,0|2,0,1]=4 1135 B9R0.45 C=CCCCCCCOC 34a_100138415774_100011215473 [1,0,0,0,0,0|2,0,1]=4 1136 B9R0.45 C=CCCCCCCOC 34a_200011216477_200000210301 [1,0,0,0,0,0|2,0,1]=4 1137 B9R0.45 C=CCCCCCCOC 7a_200011216477_200000210301 [1,0,0,0,0,0|2,0,1]=4 1138 B9R0.45 C=CCCCCCCO[13CH3] 34a_200011216477_200025704644 [1,0,0,0,0,0|2,0,1]=4 1139 B9R0.45 C=CCCCCCCO[13CH3] 7a_200011216477_200025704644 [1,0,0,0,0,0|2,0,1]=4 1140 B9R0.45 C=CCCCCCCSC 62a_100011215473_200000210301 [1,0,0,0,0,0|2,0,1]=4 1141 B9R0.45 C=CCCCCCCSC 62a_200000210301_100011215473 [1,0,0,0,0,0|2,0,1]=4 1142 B9R0.45 C=CCCCCCCS[13CH3] 62a_100011215473_200025704644 [1,0,0,0,0,0|2,0,1]=4 1143 B9R0.45 C=CCCCCCCS[13CH3] 62a_200025704644_100011215473 [1,0,0,0,0,0|2,0,1]=4 1144 B9R0.45 C=CCCCCCNCC 2230a_100015525214_100000700193 [1,0,0,0,0,0|2,0,1]=4 1145 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,0,0,0,0,0|2,0,1]=4 1146 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,0,0,0,0,0|2,0,1]=4 1147 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,0,0,0,0,0|2,0,1]=4 1148 B9R0.45 C=CCCCCCSCC 62a_100000210202_100000700193 [1,0,0,0,0,0|2,0,1]=4 1149 B9R0.45 C=CCCCCCSCC 62a_100000700193_100000210202 [1,0,0,0,0,0|2,0,1]=4 1150 B9R0.45 C=CCCCCNCCC 2230a_100000703577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1151 B9R0.45 C=CCCCCNCCC 34a_100000703577_100000210303 [1,0,0,0,0,0|2,0,1]=4 1152 B9R0.45 C=CCCCCOCC=C 34a_100000766645_100015514636 [1,0,0,0,0,0|0,0,3]=4 1153 B9R0.45 C=CCCCCOCC=C 34a_200000210373_100011215482 [1,0,0,0,0,0|0,0,3]=4 1154 B9R0.45 C=CCCCCOCC=C 7a_100000766645_100015514636 [1,0,0,0,0,0|0,0,3]=4 1155 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|2,0,1]=4 1156 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|2,0,1]=4 1157 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|2,0,1]=4 1158 B9R0.45 C=CCCCCSCCC 62a_100000210303_100011215482 [1,0,0,0,0,0|2,0,1]=4 1159 B9R0.45 C=CCCCCSCCC 62a_100011215482_100000210303 [1,0,0,0,0,0|2,0,1]=4 1160 B9R0.45 C=CCCCNCCCC 2230a_100000102301_100011713584 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.45 C=CCCCNCCCC 2230a_100000700776_100000210211 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.45 C=CCCCNCCCC 34a_100000700776_100000210210 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.45 C=CCCCNCCCC 7a_106832991798_100000757094 [1,0,0,0,0,0|2,0,1]=4 1164 B9R0.45 C=CCCCOCCCC 34a_100000210227_100000757094 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.45 C=CCCCOCCCC 34a_100000758997_100000210210 [1,0,0,0,0,0|2,0,1]=4 1166 B9R0.45 C=CCCCOCCCC 7a_100000210227_100000757094 [1,0,0,0,0,0|2,0,1]=4 1167 B9R0.45 C=CCCCOCCCC 7a_100000758997_100000210211 [1,0,0,0,0,0|2,0,1]=4 1168 B9R0.45 C=CCCCSCCCC 62a_100000210211_100000757094 [1,0,0,0,0,0|2,0,1]=4 1169 B9R0.45 C=CCCCSCCCC 62a_100011713584_100000210210 [1,0,0,0,0,0|2,0,1]=4 1170 B9R0.45 C=CCCNCCCCC 2230a_100000209983_100000754431 [1,0,0,0,0,0|2,0,0]=3 1171 B9R0.45 C=CCCNCCCCC 2230a_100015191253_100000210326 [1,0,0,0,0,0|2,0,0]=3 1172 B9R0.45 C=CCCNCCCCF 2230a_100015191253_100000729493 [1,0,0,0,0,0|3,0,0]=4 1173 B9R0.45 C=CCCNCCCCO 2230a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1174 B9R0.45 C=CCCNCCCCO 2230a_100015191253_100000210776 [1,0,0,0,0,0|3,0,0]=4 1175 B9R0.45 C=CCCNCCCCO 34a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1176 B9R0.45 C=CCCNCCCOC 2230a_100015191253_100000740836 [1,0,0,0,0,0|3,0,0]=4 1177 B9R0.45 C=CCCNCCCOC 34a_100150723488_100000754431 [1,0,0,0,0,0|3,0,0]=4 1178 B9R0.45 C=CCCNCCCSC 2230a_100000749238_100000754431 [1,0,0,0,0,0|3,0,0]=4 1179 B9R0.45 C=CCCNCCOCC 2230a_100015191253_100011215890 [1,0,0,0,0,0|3,0,0]=4 1180 B9R0.45 C=CCCNCCOCC 2230a_102516460346_100000754431 [1,0,0,0,0,0|3,0,0]=4 1181 B9R0.45 C=CCCNCCOCC 34a_102516460346_100000754431 [1,0,0,0,0,0|3,0,0]=4 1182 B9R0.45 C=CCCNCCSCC 2230a_100000106463_100000754431 [1,0,0,0,0,0|3,0,0]=4 1183 B9R0.45 C=CCCNCCSCC 2230a_100015191253_100000757381 [1,0,0,0,0,0|3,0,0]=4 1184 B9R0.45 C=CCCOCCCCBr 34a_100011216708_100000754431 [1,0,0,0,0,0|3,0,0]=4 1185 B9R0.45 C=CCCOCCCCC 34a_100000210253_100000754431 [1,0,0,0,0,0|2,0,0]=3 1186 B9R0.45 C=CCCOCCCCC 34a_100011205117_100000718602 [1,0,0,0,0,0|2,0,0]=3 1187 B9R0.45 C=CCCOCCCCC 7a_100000210253_100000754431 [1,0,0,0,0,0|2,0,0]=3 1188 B9R0.45 C=CCCOCCCCCl 34a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1189 B9R0.45 C=CCCOCCCCCl 7a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1190 B9R0.45 C=CCCOCCCCF 34a_100011205117_100000729493 [1,0,0,0,0,0|3,0,0]=4 1191 B9R0.45 C=CCCOCCCCF 34a_100011995726_100000754431 [1,0,0,0,0,0|3,0,0]=4 1192 B9R0.45 C=CCCOCCCCF 7a_100011995726_100000754431 [1,0,0,0,0,0|3,0,0]=4 1193 B9R0.45 C=CCCOCCCCI 34a_200012148704_100000754431 [1,0,0,0,0,0|3,0,0]=4 1194 B9R0.45 C=CCCOCCCCN 34a_100000750430_100000754431 [1,0,0,0,0,0|3,0,0]=4 1195 B9R0.45 C=CCCOCCCCO 34a_100011205117_100011216708 [1,0,0,0,0,0|3,0,0]=4 1196 B9R0.45 C=CCCOCCCNC 34a_100000213112_100000754431 [1,0,0,0,0,0|3,0,0]=4 1197 B9R0.45 C=CCCOCCCOC 34a_100000740835_100000754431 [1,0,0,0,0,0|3,0,0]=4 1198 B9R0.45 C=CCCOCCCOC 34a_100011205117_100000740836 [1,0,0,0,0,0|3,0,0]=4 1199 B9R0.45 C=CCCOCCCSC 34a_100000690336_100000754431 [1,0,0,0,0,0|3,0,0]=4 1200 B9R0.45 C=CCCOCCCSC 7a_100000690336_100000754431 [1,0,0,0,0,0|3,0,0]=4 1201 B9R0.45 C=CCCOCCOCC 34a_100000210136_100000754431 [1,0,0,0,0,0|3,0,0]=4 1202 B9R0.45 C=CCCOCCOCC 34a_100011205117_100000210147 [1,0,0,0,0,0|3,0,0]=4 1203 B9R0.45 C=CCCOCCOCC 7a_100000210136_100000754431 [1,0,0,0,0,0|3,0,0]=4 1204 B9R0.45 C=CCCOCCSCC 34a_100000212035_100000754431 [1,0,0,0,0,0|3,0,0]=4 1205 B9R0.45 C=CCCOCCSCC 34a_100011205117_100000757381 [1,0,0,0,0,0|3,0,0]=4 1206 B9R0.45 C=CCCOCCSCC 7a_100000212035_100000754431 [1,0,0,0,0,0|3,0,0]=4 1207 B9R0.45 C=CCCSCCCCC 62a_100000210326_100000754431 [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.45 C=CCCSCCCCC 62a_100000754431_100000210326 [1,0,0,0,0,0|2,0,0]=3 1209 B9R0.45 C=CCCSCCCCF 62a_100000729493_100000754431 [1,0,0,0,0,0|3,0,0]=4 1210 B9R0.45 C=CCCSCCCCF 62a_100000754431_100000729493 [1,0,0,0,0,0|3,0,0]=4 1211 B9R0.45 C=CCCSCCCCO 62a_100000210776_100000754431 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.45 C=CCCSCCCCO 62a_100000754431_100000210776 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.45 C=CCCSCCCOC 62a_100000709357_100000754431 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.45 C=CCCSCCCOC 62a_100000754431_100000709357 [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.45 C=CCCSCCOCC 62a_100000210147_100000754431 [1,0,0,0,0,0|3,0,0]=4 1216 B9R0.45 C=CCCSCCOCC 62a_100000754431_100011215890 [1,0,0,0,0,0|3,0,0]=4 1217 B9R0.45 C=CCCSCCSCC 62a_100000754431_100000757381 [1,0,0,0,0,0|3,0,0]=4 1218 B9R0.45 C=CCCSCCSCC 62a_100000757381_100000754431 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.45 C=CCNCCCCCC 2230a_100000210581_100000210623 [1,0,0,0,0,0|1,0,1]=3 1220 B9R0.45 C=CCNCCCCCC 2230a_100020586998_100000210314 [1,0,0,0,0,0|1,0,1]=3 1221 B9R0.45 C=CCNCCCCCF 2230a_100020586998_100000729378 [1,0,0,0,0,0|2,0,1]=4 1222 B9R0.45 C=CCNCCCCCO 2230a_100000762737_100000210623 [1,0,0,0,0,0|2,0,1]=4 1223 B9R0.45 C=CCNCCCCCO 2230a_100020586998_100000746330 [1,0,0,0,0,0|2,0,1]=4 1224 B9R0.45 C=CCNCCCCCO 34a_100000762737_100015514636 [1,0,0,0,0,0|2,0,1]=4 1225 B9R0.45 C=CCNCCCCOC 2230a_100020586998_100000730899 [1,0,0,0,0,0|2,0,1]=4 1226 B9R0.45 C=CCNCCCOCC 2230a_100000210961_100000210623 [1,0,0,0,0,0|2,0,1]=4 1227 B9R0.45 C=CCNCCCOCC 2230a_100020586998_100012232248 [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.45 C=CCNCCCOCC 34a_100000210961_100015514636 [1,0,0,0,0,0|2,0,1]=4 1229 B9R0.45 C=CCNCCOCCC 2230a_100020586998_100011215938 [1,0,0,0,0,0|2,0,1]=4 1230 B9R0.45 C=CCNCCOCCC 2230a_100161115042_100000210623 [1,0,0,0,0,0|2,0,1]=4 1231 B9R0.45 C=CCNCCOCCC 34a_100161115042_100015514636 [1,0,0,0,0,0|2,0,1]=4 1232 B9R0.45 C=CCNCCSCCC 2230a_100020603323_100000210623 [1,0,0,0,0,0|2,0,1]=4 1233 B9R0.45 C=CCNCOCCCC 2230a_100020586998_100011995733 [1,0,0,0,0,0|2,0,1]=4 1234 B9R0.45 C=CCOC/C=C/CCC 34a_100016278788_100015514636 [1,0,0,0,0,0|0,0,3]=4 1235 B9R0.45 C=CCOC/C=C/CCC 7a_100016278788_100015514636 [1,0,0,0,0,0|0,0,3]=4 1236 B9R0.45 C=CCOCC#CCCC 34a_100000034806_100015514636 [1,0,0,0,0,0|0,0,3]=4 1237 B9R0.45 C=CCOCC#CCCC 7a_100000034806_100015514636 [1,0,0,0,0,0|0,0,3]=4 1238 B9R0.45 C=CCOCC/C=C\CC 34a_100016288707_100015514636 [1,0,0,0,0,0|0,0,3]=4 1239 B9R0.45 C=CCOCC/C=C\CC 34a_200000210373_100015370543 [1,0,0,0,0,0|0,0,3]=4 1240 B9R0.45 C=CCOCC/C=C\CC 7a_100016288707_100015514636 [1,0,0,0,0,0|0,0,3]=4 1241 B9R0.45 C=CCOCCC#CCC 34a_100000036655_100015514636 [1,0,0,0,0,0|0,0,3]=4 1242 B9R0.45 C=CCOCCC#CCC 7a_100000036655_100015514636 [1,0,0,0,0,0|0,0,3]=4 1243 B9R0.45 C=CCOCCCC=CC 34a_100020645299_100015514636 [1,0,0,0,0,0|0,0,3]=4 1244 B9R0.45 C=CCOCCCCCBr 34a_100000746331_100015514636 [1,0,0,0,0,0|1,0,1]=3 1245 B9R0.45 C=CCOCCCCCBr 7a_100000746331_100015514636 [1,0,0,0,0,0|1,0,1]=3 1246 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|0,0,1]=2 1247 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|0,0,1]=2 1248 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|0,0,1]=2 1249 B9R0.45 C=CCOCCCCCCl 34a_100000746330_100015514636 [1,0,0,0,0,0|1,0,1]=3 1250 B9R0.45 C=CCOCCCCCCl 7a_100000746330_100015514636 [1,0,0,0,0,0|1,0,1]=3 1251 B9R0.45 C=CCOCCCCCF 34a_200000210373_100000729378 [1,0,0,0,0,0|1,0,1]=3 1252 B9R0.45 C=CCOCCCCCI 34a_200012148887_100015514636 [1,0,0,0,0,0|1,0,1]=3 1253 B9R0.45 C=CCOCCCCCI 7a_200012148887_100015514636 [1,0,0,0,0,0|1,0,1]=3 1254 B9R0.45 C=CCOCCCCCN 34a_100000762737_100015514636 [1,0,0,0,0,0|1,0,1]=3 1255 B9R0.45 C=CCOCCCCCO 34a_200000210373_100000746330 [1,0,0,0,0,0|1,0,1]=3 1256 B9R0.45 C=CCOCCCCOC 34a_100000740925_100015514636 [1,0,0,0,0,0|1,0,1]=3 1257 B9R0.45 C=CCOCCCCOC 34a_200000210373_100000755781 [1,0,0,0,0,0|1,0,1]=3 1258 B9R0.45 C=CCOCCCCSC 34a_100011217163_100015514636 [1,0,0,0,0,0|1,0,1]=3 1259 B9R0.45 C=CCOCCCCSC 7a_100011217163_100015514636 [1,0,0,0,0,0|1,0,1]=3 1260 B9R0.45 C=CCOCCCOCC 34a_100000757476_100015514636 [1,0,0,0,0,0|1,0,1]=3 1261 B9R0.45 C=CCOCCCOCC 34a_200000210373_100012232248 [1,0,0,0,0,0|1,0,1]=3 1262 B9R0.45 C=CCOCCCOCC 7a_100000757476_100015514636 [1,0,0,0,0,0|1,0,1]=3 1263 B9R0.45 C=CCOCCCSCC 34a_100011216438_100015514636 [1,0,0,0,0,0|1,0,1]=3 1264 B9R0.45 C=CCOCCCSCC 7a_100011216438_100015514636 [1,0,0,0,0,0|1,0,1]=3 1265 B9R0.45 C=CCOCCOCCBr 34a_100000692535_100015514636 [1,0,0,0,0,0|2,0,1]=4 1266 B9R0.45 C=CCOCCOCCBr 7a_100000692535_100015514636 [1,0,0,0,0,0|2,0,1]=4 1267 B9R0.45 C=CCOCCOCCC 34a_100000037705_100000210303 [1,0,0,0,0,0|1,0,1]=3 1268 B9R0.45 C=CCOCCOCCC 34a_100000752267_100015514636 [1,0,0,0,0,0|1,0,1]=3 1269 B9R0.45 C=CCOCCOCCC 34a_200000210373_100011215938 [1,0,0,0,0,0|1,0,1]=3 1270 B9R0.45 C=CCOCCOCCC 7a_100000037705_100000210303 [1,0,0,0,0,0|1,0,1]=3 1271 B9R0.45 C=CCOCCOCCC 7a_100000752267_100015514636 [1,0,0,0,0,0|1,0,1]=3 1272 B9R0.45 C=CCOCCOCCCl 34a_100011215305_100015514636 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.45 C=CCOCCOCCCl 7a_100011215305_100015514636 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.45 C=CCOCCOCCF 34a_100000037705_100011217306 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.45 C=CCOCCOCCF 34a_200015357709_100015514636 [1,0,0,0,0,0|2,0,1]=4 1276 B9R0.45 C=CCOCCOCCF 7a_100000037705_100011217306 [1,0,0,0,0,0|2,0,1]=4 1277 B9R0.45 C=CCOCCOCCF 7a_200015357709_100015514636 [1,0,0,0,0,0|2,0,1]=4 1278 B9R0.45 C=CCOCCOCCI 34a_100012149058_100015514636 [1,0,0,0,0,0|2,0,1]=4 1279 B9R0.45 C=CCOCCOCCI 7a_100012149058_100015514636 [1,0,0,0,0,0|2,0,1]=4 1280 B9R0.45 C=CCOCCOCCN 34a_100000211614_100015514636 [1,0,0,0,0,0|2,0,1]=4 1281 B9R0.45 C=CCOCCOCCO 34a_100000037705_100000211926 [1,0,0,0,0,0|2,0,1]=4 1282 B9R0.45 C=CCOCCOCCO 34a_200000210373_100000692535 [1,0,0,0,0,0|2,0,1]=4 1283 B9R0.45 C=CCOCCOCCO 7a_100000037705_100000211926 [1,0,0,0,0,0|2,0,1]=4 1284 B9R0.45 C=CCOCCOCSC 34a_100000037705_100011218213 [1,0,0,0,0,0|2,0,1]=4 1285 B9R0.45 C=CCOCCSCCC 34a_200000230433_100015514636 [1,0,0,0,0,0|1,0,1]=3 1286 B9R0.45 C=CCOCCSCCC 7a_200000230433_100015514636 [1,0,0,0,0,0|1,0,1]=3 1287 B9R0.45 C=CCOCOCCCC 34a_200000210373_100011995733 [1,0,0,0,0,0|1,0,1]=3 1288 B9R0.45 C=CCSCCCCCC 62a_100000210314_100000210623 [1,0,0,0,0,0|0,1,1]=3 1289 B9R0.45 C=CCSCCCCCC 62a_100000210623_100000210757 [1,0,0,0,0,0|0,1,1]=3 1290 B9R0.45 C=CCSCCCCCF 62a_100000210623_100000729378 [1,0,0,0,0,0|1,1,1]=4 1291 B9R0.45 C=CCSCCCCCF 62a_100000729378_100000210623 [1,0,0,0,0,0|1,1,1]=4 1292 B9R0.45 C=CCSCCCCCO 62a_100000210623_100000746330 [1,0,0,0,0,0|1,1,1]=4 1293 B9R0.45 C=CCSCCCCCO 62a_100000746330_100000210623 [1,0,0,0,0,0|1,1,1]=4 1294 B9R0.45 C=CCSCCCCOC 62a_100000210623_100000730899 [1,0,0,0,0,0|1,1,1]=4 1295 B9R0.45 C=CCSCCCCOC 62a_100000730899_100000210623 [1,0,0,0,0,0|1,1,1]=4 1296 B9R0.45 C=CCSCCCOCC 62a_100000210623_100012232248 [1,0,0,0,0,0|1,1,1]=4 1297 B9R0.45 C=CCSCCCOCC 62a_100012232248_100000210623 [1,0,0,0,0,0|1,1,1]=4 1298 B9R0.45 C=CCSCCOCCC 62a_100000210623_100011215938 [1,0,0,0,0,0|1,1,1]=4 1299 B9R0.45 C=CCSCCOCCC 62a_100011215938_100000210623 [1,0,0,0,0,0|1,1,1]=4 1300 B9R0.45 C=CCSCOCCCC 62a_100000210623_100011995733 [1,0,0,0,0,0|1,1,1]=4 1301 B9R0.45 C=CCSCOCCCC 62a_100011995733_100000210623 [1,0,0,0,0,0|1,1,1]=4 1302 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|2,0,1]=4 1303 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|2,0,1]=4 1304 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|2,0,1]=4 1305 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|2,0,1]=4 1306 B9R0.45 CCCCCCNCC=O 2230a_100000210581_200015260668 [1,0,0,0,0,0|2,0,1]=4 1307 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|1,0,2]=4 1308 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,1]=3 1309 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,1]=3 1310 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|1,0,2]=4 1311 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|0,0,3]=4 1312 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|0,0,3]=4 1313 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|0,0,3]=4 1314 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|1,0,2]=4 1315 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|1,0,2]=4 1316 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|1,0,2]=4 1317 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,2]=4 1318 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,2]=4 1319 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|1,0,2]=4 1320 B9R0.45 CCCCCCSCC=O 62a_100000210314_200015260668 [1,0,0,0,0,0|1,1,1]=4 1321 B9R0.45 CCCCCCSCC=O 62a_200015260668_100000210757 [1,0,0,0,0,0|1,1,1]=4 1322 B9R0.45 CCCOCCOCC=O 34a_100000752267_200009817547 [1,0,0,0,0,0|2,0,1]=4 1323 B9R0.45 CCCOCCOCC=O 7a_100000752267_200015260668 [1,0,0,0,0,0|2,0,1]=4 1324 B9R0.45 CCCSCCOCC=O 34a_200000230433_200009817547 [1,0,0,0,0,0|2,0,1]=4 1325 B9R0.45 CCCSCCOCC=O 7a_200000230433_200015260668 [1,0,0,0,0,0|2,0,1]=4 1326 B9R0.45 CCOCCCOCC=O 34a_100000757476_200009817547 [1,0,0,0,0,0|2,0,1]=4 1327 B9R0.45 CCOCCCOCC=O 7a_100000757476_200015260668 [1,0,0,0,0,0|2,0,1]=4 1328 B9R0.45 CCSCCCOCC=O 34a_100011216438_200009817547 [1,0,0,0,0,0|2,0,1]=4 1329 B9R0.45 CCSCCCOCC=O 7a_100011216438_200015260668 [1,0,0,0,0,0|2,0,1]=4 1330 B9R0.45 COCCCCOCC=O 34a_100000740925_200009817547 [1,0,0,0,0,0|2,0,1]=4 1331 B9R0.45 CSCCCCOCC=O 34a_100011217163_200009817547 [1,0,0,0,0,0|2,0,1]=4 1332 B9R0.45 CSCCCCOCC=O 7a_100011217163_200015260668 [1,0,0,0,0,0|2,0,1]=4 1333 B9R0.45 NCCCCCOCC=O 34a_100000762737_200009817547 [1,0,0,0,0,0|2,0,1]=4 1334 B9R0.45 O=CCOCCCCCBr 34a_100000746331_200009817547 [1,0,0,0,0,0|2,0,1]=4 1335 B9R0.45 O=CCOCCCCCBr 7a_100000746331_200015260668 [1,0,0,0,0,0|2,0,1]=4 1336 B9R0.45 O=CCOCCCCCCl 34a_100000746330_200009817547 [1,0,0,0,0,0|2,0,1]=4 1337 B9R0.45 O=CCOCCCCCCl 7a_100000746330_200015260668 [1,0,0,0,0,0|2,0,1]=4 1338 B9R0.45 O=CCOCCCCCI 34a_200012148887_200009817547 [1,0,0,0,0,0|2,0,1]=4 1339 B9R0.45 O=CCOCCCCCI 7a_200012148887_200015260668 [1,0,0,0,0,0|2,0,1]=4 1340 B11R0.5 C#CCC(=O)CC(=O)OCC=C 1458a_100011220946_100000033060 [0,1,0,0,0,0|0,0,3]=4 1341 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,1,0,0,0,0|1,0,2]=4 1342 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,1,0,0,0,0|1,0,2]=4 1343 B11R0.5 C#CCN(C)CC(=O)OCC=C 2230a_100000225692_100000033060 [0,1,0,0,0,0|1,0,2]=4 1344 B11R0.5 C#CCN(C)CC(=O)OCC=C 34a_100000225692_100000033060 [0,1,0,0,0,0|1,0,2]=4 1345 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 1346 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 1347 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 1348 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 1349 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,1,0,0,0,0|1,0,2]=4 1350 B11R0.5 C=CC=CC(=O)CC(=O)CCC 1458a_100016291481_100000747444 [0,1,0,0,0,0|1,0,2]=4 1351 B11R0.5 C=CC=CC(=O)CC(C)CCC 1458a_100016291481_100011216630 [0,1,0,0,0,0|1,0,1]=3 1352 B11R0.5 C=CC=CC(=O)NC(C)CCC 1626a_100000741246_100016291481 [0,1,0,0,0,0|2,0,1]=4 1353 B11R0.5 C=CCCC(=O)C=C(C)CCC 1458a_100020676950_100000754431 [0,1,0,0,0,0|1,0,2]=4 1354 B11R0.5 C=CCCC(=O)CC(=C)CCC 1458a_100000138376_100000754431 [0,1,0,0,0,0|1,0,1]=3 1355 B11R0.5 C=CCCC(=O)CC(=O)CCC 1458a_100000749702_100000747444 [0,1,0,0,0,0|1,0,1]=3 1356 B11R0.5 C=CCCC(=O)CC(=O)NCC 1458a_100000749702_100000183381 [0,1,0,0,0,0|2,0,1]=4 1357 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,1,0,0,0,0|2,0,1]=4 1358 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,1,0,0,0,0|2,0,1]=4 1359 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,1,0,0,0,0|1,0,0]=2 1360 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,1,0,0,0,0|1,0,0]=2 1361 B11R0.5 C=CCCC(=O)CC(C)SCC 1458a_200011311441_100000754431 [0,1,0,0,0,0|2,0,0]=3 1362 B11R0.5 C=CCCC(=O)CS(=O)CCC 1458a_100011387404_100000754431 [0,1,0,0,0,0|2,0,0]=3 1363 B11R0.5 C=CCCC(=O)NC(C)CCC 11a_100000741246_100000749702 [0,1,0,0,0,0|2,0,0]=3 1364 B11R0.5 C=CCCC(=O)NC(C)CCC 1626a_100000741246_100000749702 [0,1,0,0,0,0|2,0,0]=3 1365 B11R0.5 C=CCCC(=O)NC(C)CCC 240690a_100000741246_100000749702 [0,1,0,0,0,0|2,0,0]=3 1366 B11R0.5 C=CCCC(=O)NC(C)CCC 527a_100000741246_100000749702 [0,1,0,0,0,0|2,0,0]=3 1367 B11R0.5 C=CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000749702 [0,1,0,0,0,0|3,0,0]=4 1368 B11R0.5 C=CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000749702 [0,1,0,0,0,0|3,0,0]=4 1369 B11R0.5 C=CCCC(=O)N[C@H](C)COC 11a_100000764878_100000749702 [0,1,0,0,0,0|3,0,0]=4 1370 B11R0.5 C=CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000749702 [0,1,0,0,0,0|3,0,0]=4 1371 B11R0.5 C=CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000749702 [0,1,0,0,0,0|3,0,0]=4 1372 B11R0.5 C=CCCC(=O)N[C@H](C)COC 527a_100000764878_100000749702 [0,1,0,0,0,0|3,0,0]=4 1373 B11R0.5 C=CCCN(C)CC(C)CCC 2230a_100020639649_100011216630 [0,1,0,0,0,0|3,0,0]=4 1374 B11R0.5 C=CCCN(C)CC(C)CCC 269982a_100020639649_100011216630 [0,1,0,0,0,0|3,0,0]=4 1375 B11R0.5 C=CCCN(C)CC(C)CCC 270004a_100020639649_100000243154 [0,1,0,0,0,0|3,0,0]=4 1376 B11R0.5 C=CCNC(=O)C=C(C)CCC 1626a_100020586998_100020676950 [0,1,0,0,0,0|1,0,2]=4 1377 B11R0.5 C=CCNC(=O)C=C(C)CCC 240690a_100020586998_100020676950 [0,1,0,0,0,0|1,0,2]=4 1378 B11R0.5 C=CCNC(=O)CC(=C)CCC 240690a_100020586998_100000138376 [0,1,0,0,0,0|1,0,1]=3 1379 B11R0.5 C=CCNC(=O)CC(=C)CCC 527a_100020586998_100000138376 [0,1,0,0,0,0|1,0,1]=3 1380 B11R0.5 C=CCNC(=O)CC(=O)CCC 1458a_100000211992_100000183597 [0,1,0,0,0,0|1,0,1]=3 1381 B11R0.5 C=CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183597 [0,1,0,0,0,0|2,0,1]=4 1382 B11R0.5 C=CCNC(=O)CC(=O)COC 1458a_100000210968_100000183597 [0,1,0,0,0,0|2,0,1]=4 1383 B11R0.5 C=CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183597 [0,1,0,0,0,0|2,0,1]=4 1384 B11R0.5 C=CCNC(=O)CC(=O)OCC 240690a_100020586998_100000243816 [0,1,0,0,0,0|2,0,1]=4 1385 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,1,0,0,0,0|1,0,0]=2 1386 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,1,0,0,0,0|1,0,0]=2 1387 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,1,0,0,0,0|1,0,0]=2 1388 B11R0.5 C=CCNC(=O)CC(C)SCC 1626a_100020586998_200011311441 [0,1,0,0,0,0|2,0,0]=3 1389 B11R0.5 C=CCNC(=O)CC(C)SCC 240690a_100020586998_200011311441 [0,1,0,0,0,0|2,0,0]=3 1390 B11R0.5 C=CCNC(=O)CC(C)SCC 527a_100020586998_200011311441 [0,1,0,0,0,0|2,0,0]=3 1391 B11R0.5 C=CCNC(=O)CN(C)CCC 2230a_100000747261_100000183597 [0,1,0,0,0,0|2,0,0]=3 1392 B11R0.5 C=CCNC(=O)CN(C)CCC 269982a_100000747261_100000183597 [0,1,0,0,0,0|2,0,0]=3 1393 B11R0.5 C=CCNC(=O)CN(C)CCO 2230a_100000210263_100000183597 [0,1,0,0,0,0|3,0,0]=4 1394 B11R0.5 C=CCNC(=O)CN(C)CCO 269982a_100000210263_100000183597 [0,1,0,0,0,0|3,0,0]=4 1395 B11R0.5 C=CCNC(=O)CS(=O)CCC 1626a_100020586998_100011387404 [0,1,0,0,0,0|2,0,0]=3 1396 B11R0.5 C=CCNC(=O)CS(=O)CCC 240690a_100020586998_100011387404 [0,1,0,0,0,0|2,0,0]=3 1397 B11R0.5 C=CCNC(=O)CS(=O)CCC 527a_100020586998_100011387404 [0,1,0,0,0,0|2,0,0]=3 1398 B11R0.5 C=CCNC(=O)NC(C)CCC 2708a_100000741246_100020586998 [0,1,0,0,0,0|2,0,0]=3 1399 B11R0.5 C=CCNC(=O)NC(C)CCC 273464a_100000741246_100020586998 [0,1,0,0,0,0|2,0,0]=3 1400 B11R0.5 C=CCNC(=O)NC(C)CCC 512a_100000741246_100020586998 [0,1,0,0,0,0|2,0,0]=3 1401 B11R0.5 C=CCNC(=O)NC(C)CCC 512a_100020586998_100000741246 [0,1,0,0,0,0|2,0,0]=3 1402 B11R0.5 C=CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100020586998 [0,1,0,0,0,0|3,0,0]=4 1403 B11R0.5 C=CCNC(=O)N[C@H](C)CCO 512a_100000706166_100020586998 [0,1,0,0,0,0|3,0,0]=4 1404 B11R0.5 C=CCNC(=O)N[C@H](C)CCO 512a_100020586998_100000706166 [0,1,0,0,0,0|3,0,0]=4 1405 B11R0.5 C=CCNC(=O)N[C@H](C)COC 2708a_100000764878_100020586998 [0,1,0,0,0,0|3,0,0]=4 1406 B11R0.5 C=CCNC(=O)N[C@H](C)COC 273464a_100000764878_100020586998 [0,1,0,0,0,0|3,0,0]=4 1407 B11R0.5 C=CCNC(=O)N[C@H](C)COC 273464a_100020586998_100000764878 [0,1,0,0,0,0|3,0,0]=4 1408 B11R0.5 C=CCNC(=O)N[C@H](C)COC 512a_100000764878_100020586998 [0,1,0,0,0,0|3,0,0]=4 1409 B11R0.5 C=CCNC(=O)N[C@H](C)COC 512a_100020586998_100000764878 [0,1,0,0,0,0|3,0,0]=4 1410 B11R0.5 C=CCOC(=O)CC(=O)C#CC 1458a_100000763181_100000033060 [0,1,0,0,0,0|0,0,3]=4 1411 B11R0.5 C=CCOC(=O)CC(=O)C=CC 1458a_100000210699_100000033060 [0,1,0,0,0,0|0,0,3]=4 1412 B11R0.5 C=CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000033060 [0,1,0,0,0,0|1,0,2]=4 1413 B11R0.5 C=CCOC(=O)CC(=O)CC=C 1458a_100000210193_100000033060 [0,1,0,0,0,0|0,0,3]=4 1414 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,0|0,0,1]=2 1415 B11R0.5 C=CCOC(=O)CC(=O)CCO 1458a_100011216618_100000033060 [0,1,0,0,0,0|1,0,1]=3 1416 B11R0.5 C=CCOC(=O)CC(=O)COC 1458a_100000210968_100000033060 [0,1,0,0,0,0|1,0,1]=3 1417 B11R0.5 C=CCOC(=O)CC(=O)CSC 1458a_100000184570_100000033060 [0,1,0,0,0,0|1,0,1]=3 1418 B11R0.5 C=CCOC(=O)CN(C)CC#N 2230a_100000748184_100000033060 [0,1,0,0,0,0|2,0,1]=4 1419 B11R0.5 C=CCOC(=O)CN(C)CC=C 2230a_100000225617_100000033060 [0,1,0,0,0,0|1,0,2]=4 1420 B11R0.5 C=CCOC(=O)CN(C)CC=C 269982a_100000225617_100000033060 [0,1,0,0,0,0|1,0,2]=4 1421 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,1,0,0,0,0|1,0,0]=2 1422 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,1,0,0,0,0|1,0,0]=2 1423 B11R0.5 C=CCOC(=O)CN(C)CCO 2230a_100000210263_100000033060 [0,1,0,0,0,0|2,0,0]=3 1424 B11R0.5 C=CCOC(=O)CN(C)CCO 269982a_100000210263_100000033060 [0,1,0,0,0,0|2,0,0]=3 1425 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,1,0,0,0,0|1,0,2]=4 1426 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,1,0,0,0,0|1,0,2]=4 1427 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,1,0,0,0,0|2,0,1]=4 1428 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,1,0,0,0,0|2,0,1]=4 1429 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,0|2,0,1]=4 1430 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,0|2,0,1]=4 1431 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,0|2,0,1]=4 1432 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,0|2,0,1]=4 1433 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,0|2,0,1]=4 1434 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,0|2,0,1]=4 1435 B11R0.5 CCCC(C)CC(=O)NCC#N 1626a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 1436 B11R0.5 CCCC(C)CC(=O)NCC#N 527a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 1437 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 1438 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 1439 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 1440 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,0,0,0,0|2,0,1]=4 1441 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,0,0,0,0|2,0,1]=4 1442 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,0,0,0,0|2,0,1]=4 1443 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,0|1,0,2]=4 1444 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,0|1,0,2]=4 1445 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,0|1,0,2]=4 1446 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,0|1,0,2]=4 1447 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,0|1,0,2]=4 1448 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,0|1,0,2]=4 1449 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|0,0,3]=4 1450 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,0|1,0,2]=4 1451 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,0|1,0,2]=4 1452 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [0,1,0,0,0,0|1,0,2]=4 1453 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [0,1,0,0,0,0|1,0,2]=4 1454 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [0,1,0,0,0,0|1,0,2]=4 1455 B11R0.11 C#CCNC(=O)C(C)CCCC 11a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 1456 B11R0.11 C#CCNC(=O)C(C)CCCC 1626a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 1457 B11R0.11 C#CCNC(=O)C(C)CCCC 240690a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 1458 B11R0.11 C#CCNC(=O)C(C)CCCC 527a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 1459 B11R0.11 C#CCNC(=O)C(O)CCCC 240690a_100000212058_100000720857 [0,1,0,0,0,0|1,0,2]=4 1460 B11R0.11 C#CCNC(=O)C(O)CCCC 527a_100000212058_100000720857 [0,1,0,0,0,0|1,0,2]=4 1461 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [0,1,0,0,0,0|1,0,2]=4 1462 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [0,1,0,0,0,0|1,0,2]=4 1463 B11R0.11 C=CC=CC(=O)C(C)CCCC 1458a_100016291481_200011215066 [0,1,0,0,0,0|1,0,1]=3 1464 B11R0.11 C=CC=CC(=O)N(C)CCCC 1626a_100000207549_100016291481 [0,1,0,0,0,0|2,0,1]=4 1465 B11R0.11 C=CCCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000754431 [0,1,0,0,0,0|1,0,2]=4 1466 B11R0.11 C=CCCC(=O)C(=O)NCCC 1458a_200011297150_100000754431 [0,1,0,0,0,0|2,0,1]=4 1467 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [0,1,0,0,0,0|1,0,0]=2 1468 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [0,1,0,0,0,0|1,0,0]=2 1469 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [0,1,0,0,0,0|1,0,0]=2 1470 B11R0.11 C=CCCC(=O)C(O)CCSC 1458a_100000685904_100000754431 [0,1,0,0,0,0|2,0,0]=3 1471 B11R0.11 C=CCCC(=O)N(C)CCCC 11a_100000207549_100000749702 [0,1,0,0,0,0|2,0,0]=3 1472 B11R0.11 C=CCCC(=O)N(C)CCCC 1626a_100000207549_100000749702 [0,1,0,0,0,0|2,0,0]=3 1473 B11R0.11 C=CCCC(=O)N(C)CCCC 240690a_100000207549_100000749702 [0,1,0,0,0,0|2,0,0]=3 1474 B11R0.11 C=CCCC(=O)N(C)CCCC 527a_100000207549_100000749702 [0,1,0,0,0,0|2,0,0]=3 1475 B11R0.11 C=CCCC(=O)N(C)CCCO 240690a_100000213112_100000749702 [0,1,0,0,0,0|3,0,0]=4 1476 B11R0.11 C=CCCC(=O)N(C)CCCO 527a_100000213112_100000749702 [0,1,0,0,0,0|3,0,0]=4 1477 B11R0.11 C=CCCC(=O)N(C)CCOC 11a_100000743101_100000749702 [0,1,0,0,0,0|3,0,0]=4 1478 B11R0.11 C=CCCC(=O)N(C)CCOC 1626a_100000743101_100000749702 [0,1,0,0,0,0|3,0,0]=4 1479 B11R0.11 C=CCCC(=O)N(C)CCOC 240690a_100000743101_100000749702 [0,1,0,0,0,0|3,0,0]=4 1480 B11R0.11 C=CCCC(=O)N(C)CCOC 527a_100000743101_100000749702 [0,1,0,0,0,0|3,0,0]=4 1481 B11R0.11 C=CCCC(=O)N(C)CCSC 11a_100000686725_100000749702 [0,1,0,0,0,0|3,0,0]=4 1482 B11R0.11 C=CCCC(=O)N(C)CCSC 1626a_100000686725_100000749702 [0,1,0,0,0,0|3,0,0]=4 1483 B11R0.11 C=CCCC(=O)N(C)CCSC 240690a_100000686725_100000749702 [0,1,0,0,0,0|3,0,0]=4 1484 B11R0.11 C=CCCC(=O)N(C)CCSC 527a_100000686725_100000749702 [0,1,0,0,0,0|3,0,0]=4 1485 B11R0.11 C=CCCN(C)C(C)CCCC 2230a_100020639649_200011215066 [0,1,0,0,0,0|3,0,0]=4 1486 B11R0.11 C=CCCN(C)C(C)CCCC 269982a_100020639649_200011215066 [0,1,0,0,0,0|3,0,0]=4 1487 B11R0.11 C=CCCN(C)C(C)CCCC 270004a_100020639649_100000210087 [0,1,0,0,0,0|3,0,0]=4 1488 B11R0.11 C=CCNC(=O)/C(=C/CCC)/C 1626a_100020586998_200020648666 [0,1,0,0,0,0|1,0,2]=4 1489 B11R0.11 C=CCNC(=O)/C(=C/CCC)/C 240690a_100020586998_200020648666 [0,1,0,0,0,0|1,0,2]=4 1490 B11R0.11 C=CCNC(=O)C(=O)NCCC 1626a_100020586998_200011297150 [0,1,0,0,0,0|2,0,1]=4 1491 B11R0.11 C=CCNC(=O)C(=O)NCCC 240690a_100020586998_200011297150 [0,1,0,0,0,0|2,0,1]=4 1492 B11R0.11 C=CCNC(=O)C(=O)NCCC 527a_100020586998_200011297150 [0,1,0,0,0,0|2,0,1]=4 1493 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [0,1,0,0,0,0|1,0,0]=2 1494 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [0,1,0,0,0,0|1,0,0]=2 1495 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [0,1,0,0,0,0|1,0,0]=2 1496 B11R0.11 C=CCNC(=O)C(C)NCCO 2230a_100016997473_100000230288 [0,1,0,0,0,0|3,0,0]=4 1497 B11R0.11 C=CCNC(=O)C(C)SCCC 62a_100000210303_100000230288 [0,1,0,0,0,0|2,0,0]=3 1498 B11R0.11 C=CCNC(=O)C(C)SCCC 62a_100000230288_100000210303 [0,1,0,0,0,0|2,0,0]=3 1499 B11R0.11 C=CCNC(=O)C(C)SCCF 62a_100000230288_100011217306 [0,1,0,0,0,0|3,0,0]=4 1500 B11R0.11 C=CCNC(=O)C(C)SCCF 62a_100011217306_100000230288 [0,1,0,0,0,0|3,0,0]=4 1501 B11R0.11 C=CCNC(=O)C(C)SCCO 62a_100000211926_100000230288 [0,1,0,0,0,0|3,0,0]=4 1502 B11R0.11 C=CCNC(=O)C(C)SCCO 62a_100000230288_100000211926 [0,1,0,0,0,0|3,0,0]=4 1503 B11R0.11 C=CCNC(=O)C(C)SCOC 62a_100000230288_100000766300 [0,1,0,0,0,0|3,0,0]=4 1504 B11R0.11 C=CCNC(=O)C(C)SCOC 62a_100000766300_100000230288 [0,1,0,0,0,0|3,0,0]=4 1505 B11R0.11 C=CCNC(=O)C(C)SCSC 62a_100000230288_100011218213 [0,1,0,0,0,0|3,0,0]=4 1506 B11R0.11 C=CCNC(=O)C(C)SCSC 62a_100011218213_100000230288 [0,1,0,0,0,0|3,0,0]=4 1507 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [0,1,0,0,0,0|1,0,0]=2 1508 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [0,1,0,0,0,0|1,0,0]=2 1509 B11R0.11 C=CCNC(=O)C(O)CCSC 240690a_100020586998_100000685904 [0,1,0,0,0,0|2,0,0]=3 1510 B11R0.11 C=CCNC(=O)N(C)CCCC 273464a_100020586998_100000207549 [0,1,0,0,0,0|2,0,0]=3 1511 B11R0.11 C=CCNC(=O)N(C)CCCO 273464a_100020586998_100000213112 [0,1,0,0,0,0|3,0,0]=4 1512 B11R0.11 C=CCNC(=O)N(C)CCOC 273464a_100020586998_100000743101 [0,1,0,0,0,0|3,0,0]=4 1513 B11R0.11 C=CCNC(=O)N(C)CCSC 273464a_100020586998_100000686725 [0,1,0,0,0,0|3,0,0]=4 1514 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [0,1,0,0,0,0|1,0,2]=4 1515 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [0,1,0,0,0,0|1,0,2]=4 1516 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [0,1,0,0,0,0|1,0,2]=4 1517 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,1,0,0,0,0|1,0,2]=4 1518 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,1,0,0,0,0|1,0,2]=4 1519 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,1,0,0,0,0|1,0,2]=4 1520 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [0,1,0,0,0,0|2,0,1]=4 1521 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [0,1,0,0,0,0|2,0,1]=4 1522 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,1,0,0,0,0|2,0,1]=4 1523 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,1,0,0,0,0|2,0,1]=4 1524 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,1,0,0,0,0|2,0,1]=4 1525 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,1,0,0,0,0|2,0,1]=4 1526 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,1,0,0,0,0|2,0,1]=4 1527 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,1,0,0,0,0|2,0,1]=4 1528 B11R0.11 CCCCC(C)C(=O)NCC#N 1626a_100000734998_100000725509 [0,1,0,0,0,0|2,0,1]=4 1529 B11R0.11 CCCCC(C)C(=O)NCC#N 527a_100000734998_100000725509 [0,1,0,0,0,0|2,0,1]=4 1530 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,1,0,0,0,0|1,0,2]=4 1531 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,1,0,0,0,0|1,0,2]=4 1532 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,1,0,0,0,0|1,0,2]=4 1533 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,1,0,0,0,0|1,0,2]=4 1534 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [0,1,0,0,0,0|2,0,1]=4 1535 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [0,1,0,0,0,0|2,0,1]=4 1536 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [0,1,0,0,0,0|2,0,1]=4 1537 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [0,1,0,0,0,0|2,0,1]=4 1538 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,1,0,0,0,0|2,0,1]=4 1539 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,1,0,0,0,0|2,0,1]=4 1540 B11R0.11 CCCCC(O)C(=O)CCC#N 1458a_100000720857_100011215226 [0,1,0,0,0,0|2,0,1]=4 1541 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,1,0,0,0,0|2,0,1]=4 1542 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,1,0,0,0,0|2,0,1]=4 1543 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,1,0,0,0,0|2,0,1]=4 1544 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,1,0,0,0,0|2,0,1]=4 1545 B11R0.11 CCCCC(O)C(=O)NCC#N 527a_100000734998_100000720857 [0,1,0,0,0,0|2,0,1]=4 1546 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,1,0,0,0,0|1,0,2]=4 1547 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,1,0,0,0,0|1,0,2]=4 1548 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [0,1,0,0,0,0|2,0,1]=4 1549 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [0,1,0,0,0,0|2,0,1]=4 1550 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,1,0,0,0,0|2,0,1]=4 1551 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,1,0,0,0,0|2,0,1]=4 1552 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,1,0,0,0,0|1,0,2]=4 1553 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,1,0,0,0,0|1,0,2]=4 1554 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,1,0,0,0,0|1,0,2]=4 1555 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,1,0,0,0,0|1,0,2]=4 1556 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,1,0,0,0,0|1,0,2]=4 1557 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_100000690238_100000730704 [0,1,0,0,0,0|1,0,2]=4 1558 B11R0.46 C#CCCCC(=O)CCC(=C)C 1458a_200000688413_100000731252 [0,1,0,0,0,0|1,0,2]=4 1559 B11R0.46 C#CCCCC(=O)NCC(=C)C 11a_100000765925_100000690238 [0,1,0,0,0,0|1,0,2]=4 1560 B11R0.46 C#CCCCC(=O)NCC(=C)C 1626a_100000765925_100000690238 [0,1,0,0,0,0|1,0,2]=4 1561 B11R0.46 C#CCCCC(=O)NCC(=C)C 240690a_100000765925_100000690238 [0,1,0,0,0,0|1,0,2]=4 1562 B11R0.46 C#CCCCC(=O)NCC(=C)C 527a_100000765925_100000690238 [0,1,0,0,0,0|1,0,2]=4 1563 B11R0.46 C=C(C)CCC(=O)C#CCCC 1458a_200011218047_100000730704 [0,1,0,0,0,0|1,0,2]=4 1564 B11R0.46 C=C(C)CCC(=O)C/C=C/CC 1458a_100016274230_100000730704 [0,1,0,0,0,0|1,0,2]=4 1565 B11R0.46 C=C(C)CCC(=O)C/C=C\CC 1458a_200000688413_100103147603 [0,1,0,0,0,0|1,0,2]=4 1566 B11R0.46 C=C(C)CCC(=O)C=CCCC 1458a_100000212230_100000730704 [0,1,0,0,0,0|1,0,2]=4 1567 B11R0.46 C=C(C)CCC(=O)CC#CCC 1458a_200000688413_100009813939 [0,1,0,0,0,0|1,0,2]=4 1568 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_100000075515_100000730704 [0,1,0,0,0,0|2,0,1]=4 1569 B11R0.46 C=C(C)CCC(=O)CCCC#N 1458a_200000688413_100000211468 [0,1,0,0,0,0|2,0,1]=4 1570 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,1,0,0,0,0|1,0,0]=2 1571 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,1,0,0,0,0|1,0,0]=2 1572 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,1,0,0,0,0|2,0,0]=3 1573 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,1,0,0,0,0|2,0,0]=3 1574 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,1,0,0,0,0|2,0,0]=3 1575 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,1,0,0,0,0|2,0,0]=3 1576 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,1,0,0,0,0|2,0,0]=3 1577 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,1,0,0,0,0|2,0,0]=3 1578 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,1,0,0,0,0|2,0,0]=3 1579 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,1,0,0,0,0|2,0,0]=3 1580 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,1,0,0,0,0|2,0,0]=3 1581 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,1,0,0,0,0|2,0,0]=3 1582 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,1,0,0,0,0|2,0,0]=3 1583 B11R0.46 C=C(C)CCC(=O)COCCO 1458a_100000708028_100000730704 [0,1,0,0,0,0|3,0,0]=4 1584 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,1,0,0,0,0|2,0,0]=3 1585 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,1,0,0,0,0|2,0,0]=3 1586 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,1,0,0,0,0|2,0,0]=3 1587 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,1,0,0,0,0|2,0,0]=3 1588 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,1,0,0,0,0|2,0,0]=3 1589 B11R0.46 C=C(C)CCC(=O)NCCCF 11a_100015189416_200000688413 [0,1,0,0,0,0|3,0,0]=4 1590 B11R0.46 C=C(C)CCC(=O)NCCCF 1626a_100015189416_200000688413 [0,1,0,0,0,0|3,0,0]=4 1591 B11R0.46 C=C(C)CCC(=O)NCCCF 240690a_100015189416_200000688413 [0,1,0,0,0,0|3,0,0]=4 1592 B11R0.46 C=C(C)CCC(=O)NCCCF 527a_100015189416_200000688413 [0,1,0,0,0,0|3,0,0]=4 1593 B11R0.46 C=C(C)CCC(=O)NCCCO 240690a_100000182051_200000688413 [0,1,0,0,0,0|3,0,0]=4 1594 B11R0.46 C=C(C)CCC(=O)NCCCO 527a_100000182051_200000688413 [0,1,0,0,0,0|3,0,0]=4 1595 B11R0.46 C=C(C)CCC(=O)NCCOC 1626a_100000209980_200000688413 [0,1,0,0,0,0|3,0,0]=4 1596 B11R0.46 C=C(C)CCC(=O)NCCOC 240690a_100000209980_200000688413 [0,1,0,0,0,0|3,0,0]=4 1597 B11R0.46 C=C(C)CCC(=O)NCCOC 527a_100000209980_200000688413 [0,1,0,0,0,0|3,0,0]=4 1598 B11R0.46 C=C(C)CCC(=O)NCCSC 11a_100020590264_200000688413 [0,1,0,0,0,0|3,0,0]=4 1599 B11R0.46 C=C(C)CCC(=O)NCCSC 1626a_100020590264_200000688413 [0,1,0,0,0,0|3,0,0]=4 1600 B11R0.46 C=C(C)CCC(=O)NCCSC 240690a_100020590264_200000688413 [0,1,0,0,0,0|3,0,0]=4 1601 B11R0.46 C=C(C)CCC(=O)NCCSC 527a_100020590264_200000688413 [0,1,0,0,0,0|3,0,0]=4 1602 B11R0.46 C=C(C)CCC(=O)NNCCC 22a_100000740057_200000688413 [0,1,0,0,0,0|3,0,0]=4 1603 B11R0.46 C=C(C)CCN(C)CCCCC 2230a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 1604 B11R0.46 C=C(C)CCN(C)CCCCC 269982a_100000223495_100000730704 [0,1,0,0,0,0|3,0,0]=4 1605 B11R0.46 C=C(C)CNC(=O)C#CCCC 240690a_100000765925_200011218047 [0,1,0,0,0,0|1,0,2]=4 1606 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 11a_100000765925_100016274230 [0,1,0,0,0,0|1,0,2]=4 1607 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 1626a_100000765925_100016274230 [0,1,0,0,0,0|1,0,2]=4 1608 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 240690a_100000765925_100016274230 [0,1,0,0,0,0|1,0,2]=4 1609 B11R0.46 C=C(C)CNC(=O)C/C=C/CC 527a_100000765925_100016274230 [0,1,0,0,0,0|1,0,2]=4 1610 B11R0.46 C=C(C)CNC(=O)C=CCCC 11a_100000765925_100000212230 [0,1,0,0,0,0|1,0,2]=4 1611 B11R0.46 C=C(C)CNC(=O)C=CCCC 1626a_100000765925_100000212230 [0,1,0,0,0,0|1,0,2]=4 1612 B11R0.46 C=C(C)CNC(=O)C=CCCC 240690a_100000765925_100000212230 [0,1,0,0,0,0|1,0,2]=4 1613 B11R0.46 C=C(C)CNC(=O)CCCC#N 11a_100000765925_100000075515 [0,1,0,0,0,0|2,0,1]=4 1614 B11R0.46 C=C(C)CNC(=O)CCCC#N 1626a_100000765925_100000075515 [0,1,0,0,0,0|2,0,1]=4 1615 B11R0.46 C=C(C)CNC(=O)CCCC#N 240690a_100000765925_100000075515 [0,1,0,0,0,0|2,0,1]=4 1616 B11R0.46 C=C(C)CNC(=O)CCCC#N 527a_100000765925_100000075515 [0,1,0,0,0,0|2,0,1]=4 1617 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,1,0,0,0,0|1,0,0]=2 1618 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,1,0,0,0,0|1,0,0]=2 1619 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,1,0,0,0,0|1,0,0]=2 1620 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,1,0,0,0,0|1,0,0]=2 1621 B11R0.46 C=C(C)CNC(=O)CCCCO 1626a_100000765925_100000695505 [0,1,0,0,0,0|2,0,0]=3 1622 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [0,1,0,0,0,0|2,0,0]=3 1623 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [0,1,0,0,0,0|2,0,0]=3 1624 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [0,1,0,0,0,0|2,0,0]=3 1625 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [0,1,0,0,0,0|2,0,0]=3 1626 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [0,1,0,0,0,0|2,0,0]=3 1627 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [0,1,0,0,0,0|2,0,0]=3 1628 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [0,1,0,0,0,0|2,0,0]=3 1629 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [0,1,0,0,0,0|2,0,0]=3 1630 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [0,1,0,0,0,0|2,0,0]=3 1631 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [0,1,0,0,0,0|2,0,0]=3 1632 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [0,1,0,0,0,0|2,0,0]=3 1633 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [0,1,0,0,0,0|2,0,0]=3 1634 B11R0.46 C=C(C)CNC(=O)CCSCC 11a_100000765925_100000230768 [0,1,0,0,0,0|2,0,0]=3 1635 B11R0.46 C=C(C)CNC(=O)CCSCC 1626a_100000765925_100000230768 [0,1,0,0,0,0|2,0,0]=3 1636 B11R0.46 C=C(C)CNC(=O)CCSCC 240690a_100000765925_100000230768 [0,1,0,0,0,0|2,0,0]=3 1637 B11R0.46 C=C(C)CNC(=O)CCSCC 527a_100000765925_100000230768 [0,1,0,0,0,0|2,0,0]=3 1638 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [0,1,0,0,0,0|2,0,0]=3 1639 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [0,1,0,0,0,0|2,0,0]=3 1640 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [0,1,0,0,0,0|2,0,0]=3 1641 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [0,1,0,0,0,0|2,0,0]=3 1642 B11R0.46 C=C(C)CNC(=O)COCCO 1626a_100000765925_100000708028 [0,1,0,0,0,0|3,0,0]=4 1643 B11R0.46 C=C(C)CNC(=O)COCCO 240690a_100000765925_100000708028 [0,1,0,0,0,0|3,0,0]=4 1644 B11R0.46 C=C(C)CNC(=O)CSCCC 11a_100000765925_100000217233 [0,1,0,0,0,0|2,0,0]=3 1645 B11R0.46 C=C(C)CNC(=O)CSCCC 1626a_100000765925_100000217233 [0,1,0,0,0,0|2,0,0]=3 1646 B11R0.46 C=C(C)CNC(=O)CSCCC 240690a_100000765925_100000217233 [0,1,0,0,0,0|2,0,0]=3 1647 B11R0.46 C=C(C)CNC(=O)CSCCC 527a_100000765925_100000217233 [0,1,0,0,0,0|2,0,0]=3 1648 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [0,1,0,0,0,0|2,0,0]=3 1649 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [0,1,0,0,0,0|2,0,0]=3 1650 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [0,1,0,0,0,0|2,0,0]=3 1651 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [0,1,0,0,0,0|2,0,0]=3 1652 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [0,1,0,0,0,0|2,0,0]=3 1653 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [0,1,0,0,0,0|2,0,0]=3 1654 B11R0.46 C=C(C)CNC(=O)NCCCF 2708a_100000765925_100015189416 [0,1,0,0,0,0|3,0,0]=4 1655 B11R0.46 C=C(C)CNC(=O)NCCCF 2708a_100015189416_100000765925 [0,1,0,0,0,0|3,0,0]=4 1656 B11R0.46 C=C(C)CNC(=O)NCCCF 273464a_100000765925_100015189416 [0,1,0,0,0,0|3,0,0]=4 1657 B11R0.46 C=C(C)CNC(=O)NCCCF 273464a_100015189416_100000765925 [0,1,0,0,0,0|3,0,0]=4 1658 B11R0.46 C=C(C)CNC(=O)NCCCF 512a_100000765925_100015189416 [0,1,0,0,0,0|3,0,0]=4 1659 B11R0.46 C=C(C)CNC(=O)NCCCF 512a_100015189416_100000765925 [0,1,0,0,0,0|3,0,0]=4 1660 B11R0.46 C=C(C)CNC(=O)NCCCO 2708a_100000765925_100000182051 [0,1,0,0,0,0|3,0,0]=4 1661 B11R0.46 C=C(C)CNC(=O)NCCCO 273464a_100000182051_100000765925 [0,1,0,0,0,0|3,0,0]=4 1662 B11R0.46 C=C(C)CNC(=O)NCCCO 273464a_100000765925_100000182051 [0,1,0,0,0,0|3,0,0]=4 1663 B11R0.46 C=C(C)CNC(=O)NCCCO 512a_100000765925_100000182051 [0,1,0,0,0,0|3,0,0]=4 1664 B11R0.46 C=C(C)CNC(=O)NCCOC 2708a_100000765925_100000209980 [0,1,0,0,0,0|3,0,0]=4 1665 B11R0.46 C=C(C)CNC(=O)NCCOC 273464a_100000209980_100000765925 [0,1,0,0,0,0|3,0,0]=4 1666 B11R0.46 C=C(C)CNC(=O)NCCOC 273464a_100000765925_100000209980 [0,1,0,0,0,0|3,0,0]=4 1667 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100000765925_100020590264 [0,1,0,0,0,0|3,0,0]=4 1668 B11R0.46 C=C(C)CNC(=O)NCCSC 2708a_100020590264_100000765925 [0,1,0,0,0,0|3,0,0]=4 1669 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100000765925_100020590264 [0,1,0,0,0,0|3,0,0]=4 1670 B11R0.46 C=C(C)CNC(=O)NCCSC 273464a_100020590264_100000765925 [0,1,0,0,0,0|3,0,0]=4 1671 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100000765925_100020590264 [0,1,0,0,0,0|3,0,0]=4 1672 B11R0.46 C=C(C)CNC(=O)NCCSC 512a_100020590264_100000765925 [0,1,0,0,0,0|3,0,0]=4 1673 B11R0.46 C=C(C)CNC(=O)NNCCC 273464a_100000765925_100000740057 [0,1,0,0,0,0|3,0,0]=4 1674 B11R0.46 C=C(C)CNC(=O)NNCCC 512a_100000740057_100000765925 [0,1,0,0,0,0|3,0,0]=4 1675 B11R0.46 C=C(C)CNC(=O)NNCCC 512a_100000765925_100000740057 [0,1,0,0,0,0|3,0,0]=4 1676 B11R0.46 C=C(C)CNC(C)CCCCC 2230a_100000211957_100000748629 [0,1,0,0,0,0|2,0,1]=4 1677 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,1,0,0,0,0|1,0,1]=3 1678 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,1,0,0,0,0|1,0,1]=3 1679 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,1,0,0,0,0|1,0,1]=3 1680 B11R0.46 C=C(C)COC(C)CCCOC 34a_200011539412_100000748629 [0,1,0,0,0,0|2,0,1]=4 1681 B11R0.46 C=C(C)COC(C)CCCOC 7a_200011539412_100000748629 [0,1,0,0,0,0|2,0,1]=4 1682 B11R0.46 C=C(C)CSC(C)CCCCC 62a_100000748629_200011218191 [0,1,0,0,0,0|1,1,1]=4 1683 B11R0.46 C=C(C)CSC(C)CCCCC 62a_200011218191_100000211660 [0,1,0,0,0,0|1,1,1]=4 1684 B11R0.46 C=C(F)CNC(C)CCCCC 2230a_100000211957_100009893438 [0,1,0,0,0,0|2,0,1]=4 1685 B11R0.46 C=C(F)COC(C)CCCCC 34a_100011215632_100009893438 [0,1,0,0,0,0|1,0,1]=3 1686 B11R0.46 C=C(F)COC(C)CCCCC 34a_200010262243_200011218191 [0,1,0,0,0,0|1,0,1]=3 1687 B11R0.46 C=C(F)COC(C)CCCCC 7a_100011215632_100000042424 [0,1,0,0,0,0|1,0,1]=3 1688 B11R0.46 C=C(F)COC(C)CCCOC 34a_200011539412_100009893438 [0,1,0,0,0,0|2,0,1]=4 1689 B11R0.46 C=C(F)COC(C)CCCOC 7a_200011539412_100000042424 [0,1,0,0,0,0|2,0,1]=4 1690 B11R0.46 C=C(F)CSC(C)CCCCC 62a_100000042424_200011218191 [0,1,0,0,0,0|1,1,1]=4 1691 B11R0.46 C=C(F)CSC(C)CCCCC 62a_200011218191_100000042424 [0,1,0,0,0,0|1,1,1]=4 1692 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_100000766728_100000730704 [0,1,0,0,0,0|1,0,2]=4 1693 B11R0.46 C=CCCCC(=O)CCC(=C)C 1458a_200000688413_100000757094 [0,1,0,0,0,0|1,0,2]=4 1694 B11R0.46 C=CCCCC(=O)NCC(=C)C 11a_100000765925_100000766728 [0,1,0,0,0,0|1,0,2]=4 1695 B11R0.46 C=CCCCC(=O)NCC(=C)C 1626a_100000765925_100000766728 [0,1,0,0,0,0|1,0,2]=4 1696 B11R0.46 C=CCCCC(=O)NCC(=C)C 240690a_100000765925_100000766728 [0,1,0,0,0,0|1,0,2]=4 1697 B11R0.46 C=CCCCC(=O)NCC(=C)C 527a_100000765925_100000766728 [0,1,0,0,0,0|1,0,2]=4 1698 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,1,0,0,0,0|1,0,2]=4 1699 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,1,0,0,0,0|1,0,2]=4 1700 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,1,0,0,0,0|2,0,0]=3 1701 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,1,0,0,0,0|1,0,2]=4 1702 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,1,0,0,0,0|1,0,2]=4 1703 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,1,0,0,0,0|1,0,2]=4 1704 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,1,0,0,0,0|3,0,0]=4 1705 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,1,0,0,0,0|2,0,1]=4 1706 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,1,0,0,0,0|2,0,1]=4 1707 B11R0.46 CCCCCC(=O)CNC(=O)N 1458a_100000184981_100000210326 [0,1,0,0,0,0|3,0,0]=4 1708 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,1,0,0,0,0|2,0,1]=4 1709 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,1,0,0,0,0|2,0,1]=4 1710 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,1,0,0,0,0|2,0,0]=3 1711 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,1,0,0,0,0|2,0,0]=3 1712 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,1,0,0,0,0|2,0,0]=3 1713 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,1,0,0,0,0|1,0,2]=4 1714 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,1,0,0,0,0|1,0,2]=4 1715 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,1,0,0,0,0|1,0,2]=4 1716 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,1,0,0,0,0|1,0,2]=4 1717 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,1,0,0,0,0|1,0,2]=4 1718 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,1,0,0,0,0|1,0,2]=4 1719 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,1,0,0,0,0|1,0,2]=4 1720 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [0,1,0,0,0,0|2,0,1]=4 1721 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [0,1,0,0,0,0|2,0,1]=4 1722 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [0,1,0,0,0,0|2,0,1]=4 1723 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [0,1,0,0,0,0|2,0,1]=4 1724 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,1,0,0,0,0|2,0,1]=4 1725 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,1,0,0,0,0|2,0,1]=4 1726 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|1,0,2]=4 1727 B11R0.46 CCCCCC(C)OCC(=O)N 34a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 1728 B11R0.46 CCCCCC(C)OCC(=O)N 7a_100011215632_100000187820 [0,1,0,0,0,0|2,0,1]=4 1729 B11R0.46 CCCCCC(C)OCC(=O)[O-] 34a_100011215632_100020667443 [0,1,0,0,0,0|2,0,1]=4 1730 B11R0.46 CCCCNC(=O)CCC(=O)N 240690a_100000102301_100011215257 [0,1,0,0,0,0|3,0,0]=4 1731 B11R0.46 CCCCNC(=O)CCC(=O)N 527a_100000102301_100011215257 [0,1,0,0,0,0|3,0,0]=4 1732 B11R0.46 CCCCNC(=O)NCC(=O)N 2708a_100000102301_100000711301 [0,1,0,0,0,0|3,0,0]=4 1733 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000102301_100000711301 [0,1,0,0,0,0|3,0,0]=4 1734 B11R0.46 CCCCNC(=O)NCC(=O)N 273464a_100000711301_100000102301 [0,1,0,0,0,0|3,0,0]=4 1735 B11R0.46 CCCCNC(=O)NCC(=O)N 512a_100000102301_100000711301 [0,1,0,0,0,0|3,0,0]=4 1736 B11R0.46 CCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210207 [0,1,0,0,0,0|3,0,0]=4 1737 B11R0.46 CCCOCC(=O)NCC(=O)N 11a_100000711301_100000745993 [0,1,0,0,0,0|3,0,0]=4 1738 B11R0.46 CCCOCC(=O)NCC(=O)N 240690a_100000711301_100000745993 [0,1,0,0,0,0|3,0,0]=4 1739 B11R0.46 CCCOCC(=O)NCC(=O)N 527a_100000711301_100000745993 [0,1,0,0,0,0|3,0,0]=4 1740 B11R0.46 CCCSCC(=O)NCC(=O)N 11a_100000711301_100000217233 [0,1,0,0,0,0|3,0,0]=4 1741 B11R0.46 CCCSCC(=O)NCC(=O)N 240690a_100000711301_100000217233 [0,1,0,0,0,0|3,0,0]=4 1742 B11R0.46 CCCSCC(=O)NCC(=O)N 527a_100000711301_100000217233 [0,1,0,0,0,0|3,0,0]=4 1743 B11R0.46 CCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210202 [0,1,0,0,0,0|3,0,0]=4 1744 B11R0.46 CCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215890 [0,1,0,0,0,0|3,0,0]=4 1745 B11R0.46 CCOCCC(=O)NCC(=O)N 11a_100000711301_100000749530 [0,1,0,0,0,0|3,0,0]=4 1746 B11R0.46 CCOCCC(=O)NCC(=O)N 240690a_100000711301_100000749530 [0,1,0,0,0,0|3,0,0]=4 1747 B11R0.46 CCOCCC(=O)NCC(=O)N 527a_100000711301_100000749530 [0,1,0,0,0,0|3,0,0]=4 1748 B11R0.46 CCSCCC(=O)CCC(=O)N 1458a_100011215257_100000757381 [0,1,0,0,0,0|3,0,0]=4 1749 B11R0.46 CCSCCC(=O)NCC(=O)N 11a_100000711301_100000230768 [0,1,0,0,0,0|3,0,0]=4 1750 B11R0.46 CCSCCC(=O)NCC(=O)N 240690a_100000711301_100000230768 [0,1,0,0,0,0|3,0,0]=4 1751 B11R0.46 CCSCCC(=O)NCC(=O)N 527a_100000711301_100000230768 [0,1,0,0,0,0|3,0,0]=4 1752 B11R0.46 COCCCC(=O)CCC(=O)N 1458a_100011215257_100000740836 [0,1,0,0,0,0|3,0,0]=4 1753 B11R0.46 COCCCC(=O)NCC(=O)N 11a_100000711301_100000741012 [0,1,0,0,0,0|3,0,0]=4 1754 B11R0.46 COCCCC(=O)NCC(=O)N 240690a_100000711301_100000741012 [0,1,0,0,0,0|3,0,0]=4 1755 B11R0.46 COCCCC(=O)NCC(=O)N 527a_100000711301_100000741012 [0,1,0,0,0,0|3,0,0]=4 1756 B11R0.46 CSCCCC(=O)NCC(=O)N 11a_100000711301_100000173376 [0,1,0,0,0,0|3,0,0]=4 1757 B11R0.46 CSCCCC(=O)NCC(=O)N 240690a_100000711301_100000173376 [0,1,0,0,0,0|3,0,0]=4 1758 B11R0.46 CSCCCC(=O)NCC(=O)N 527a_100000711301_100000173376 [0,1,0,0,0,0|3,0,0]=4 1759 B11R0.46 NC(=O)CCC(=O)CCCCF 1458a_100011215257_100000729493 [0,1,0,0,0,0|3,0,0]=4 1760 B11R0.46 NC(=O)CCC(=O)CCCCO 1458a_100011215257_100000210776 [0,1,0,0,0,0|3,0,0]=4 1761 B11R0.70 C#CC(C)NCC(=O)OCC=C 2230a_100000707721_100000033060 [0,1,0,0,0,0|1,0,2]=4 1762 B11R0.70 C#CC(C)NCC(=O)OCC=C 34a_100000707721_100000033060 [0,1,0,0,0,0|1,0,2]=4 1763 B11R0.70 C#CC(C)SCC(=O)OCC=C 62a_200000035995_100000033060 [0,1,0,0,0,0|1,0,2]=4 1764 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [0,1,0,0,0,0|1,0,2]=4 1765 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 1766 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 1767 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 1768 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 1769 B11R0.70 C#CCNC(=O)CCC(O)CC 1626a_100000212058_203496584001 [0,1,0,0,0,0|1,0,2]=4 1770 B11R0.70 C#CCNC(=O)CCC(O)CC 240690a_100000212058_203496584001 [0,1,0,0,0,0|1,0,2]=4 1771 B11R0.70 C#C[C@@H](C)OCC(=O)OCC=C 34a_100009815206_100000033060 [0,1,0,0,0,0|1,0,2]=4 1772 B11R0.70 C#C[C@@H](C)OCC(=O)OCC=C 7a_100009815206_100000033060 [0,1,0,0,0,0|1,0,2]=4 1773 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [0,1,0,0,0,0|1,0,2]=4 1774 B11R0.70 C=CC=CC(=O)NCC(C)CC 1626a_100020588543_100016291481 [0,1,0,0,0,0|2,0,1]=4 1775 B11R0.70 C=CCCC(=O)CCC(=O)NC 1458a_100011309844_100000754431 [0,1,0,0,0,0|2,0,1]=4 1776 B11R0.70 C=CCCC(=O)CCC(=O)OC 1458a_100000187943_100000754431 [0,1,0,0,0,0|2,0,1]=4 1777 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,1,0,0,0,0|1,0,0]=2 1778 B11R0.70 C=CCCC(=O)CCN(C)CC 1458a_100000755305_100000754431 [0,1,0,0,0,0|2,0,0]=3 1779 B11R0.70 C=CCCC(=O)CCS(=O)CC 1458a_100011387550_100000754431 [0,1,0,0,0,0|2,0,0]=3 1780 B11R0.70 C=CCCC(=O)CNC(=O)CC 1458a_100000194589_100000754431 [0,1,0,0,0,0|2,0,1]=4 1781 B11R0.70 C=CCCC(=O)NCC(C)CC 11a_100020588543_100000749702 [0,1,0,0,0,0|2,0,0]=3 1782 B11R0.70 C=CCCC(=O)NCC(C)CC 1626a_100020588543_100000749702 [0,1,0,0,0,0|2,0,0]=3 1783 B11R0.70 C=CCCC(=O)NCC(C)CC 240690a_100020588543_100000749702 [0,1,0,0,0,0|2,0,0]=3 1784 B11R0.70 C=CCCC(=O)NCC(C)CC 527a_100020588543_100000749702 [0,1,0,0,0,0|2,0,0]=3 1785 B11R0.70 C=CCCC(=O)NCC(C)CO 240690a_100000744482_100000749702 [0,1,0,0,0,0|3,0,0]=4 1786 B11R0.70 C=CCCC(=O)NCC(C)CO 527a_100000744482_100000749702 [0,1,0,0,0,0|3,0,0]=4 1787 B11R0.70 C=CCCC(=O)NCC(O)CC 11a_100011218483_100000749702 [0,1,0,0,0,0|2,0,0]=3 1788 B11R0.70 C=CCCC(=O)NCC(O)CC 240690a_100011218483_100000749702 [0,1,0,0,0,0|2,0,0]=3 1789 B11R0.70 C=CCCC(=O)NCC(O)CC 527a_100011218483_100000749702 [0,1,0,0,0,0|2,0,0]=3 1790 B11R0.70 C=CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749702 [0,1,0,0,0,0|3,0,0]=4 1791 B11R0.70 C=CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749702 [0,1,0,0,0,0|3,0,0]=4 1792 B11R0.70 C=CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749702 [0,1,0,0,0,0|3,0,0]=4 1793 B11R0.70 C=CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749702 [0,1,0,0,0,0|3,0,0]=4 1794 B11R0.70 C=CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000749702 [0,1,0,0,0,0|3,0,0]=4 1795 B11R0.70 C=CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000749702 [0,1,0,0,0,0|3,0,0]=4 1796 B11R0.70 C=CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000749702 [0,1,0,0,0,0|3,0,0]=4 1797 B11R0.70 C=CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000749702 [0,1,0,0,0,0|3,0,0]=4 1798 B11R0.70 C=CCCC(=O)NNC(C)CC 22a_100000718999_100000749702 [0,1,0,0,0,0|3,0,0]=4 1799 B11R0.70 C=CCNC(=O)CCC(=O)NC 1626a_100020586998_100011309844 [0,1,0,0,0,0|2,0,1]=4 1800 B11R0.70 C=CCNC(=O)CCC(=O)NC 240690a_100020586998_100011309844 [0,1,0,0,0,0|2,0,1]=4 1801 B11R0.70 C=CCNC(=O)CCC(=O)NC 527a_100020586998_100011309844 [0,1,0,0,0,0|2,0,1]=4 1802 B11R0.70 C=CCNC(=O)CCC(=O)OC 1626a_100020586998_100000187943 [0,1,0,0,0,0|2,0,1]=4 1803 B11R0.70 C=CCNC(=O)CCC(=O)OC 240690a_100020586998_100000187943 [0,1,0,0,0,0|2,0,1]=4 1804 B11R0.70 C=CCNC(=O)CCC(=O)OC 527a_100020586998_100000187943 [0,1,0,0,0,0|2,0,1]=4 1805 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [0,1,0,0,0,0|1,0,0]=2 1806 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [0,1,0,0,0,0|1,0,0]=2 1807 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [0,1,0,0,0,0|1,0,0]=2 1808 B11R0.70 C=CCNC(=O)CCC(O)CC 1626a_100020586998_203496584001 [0,1,0,0,0,0|1,0,0]=2 1809 B11R0.70 C=CCNC(=O)CCC(O)CC 240690a_100020586998_203496584001 [0,1,0,0,0,0|1,0,0]=2 1810 B11R0.70 C=CCNC(=O)CCN(C)CC 2230a_100000225621_100011222895 [0,1,0,0,0,0|2,0,0]=3 1811 B11R0.70 C=CCNC(=O)CCN(C)CC 240690a_100020586998_100000755305 [0,1,0,0,0,0|2,0,0]=3 1812 B11R0.70 C=CCNC(=O)CCN(C)CC 269982a_100000225621_100011222895 [0,1,0,0,0,0|2,0,0]=3 1813 B11R0.70 C=CCNC(=O)CCS(=O)CC 1626a_100020586998_100011387550 [0,1,0,0,0,0|2,0,0]=3 1814 B11R0.70 C=CCNC(=O)CCS(=O)CC 240690a_100020586998_100011387550 [0,1,0,0,0,0|2,0,0]=3 1815 B11R0.70 C=CCNC(=O)CCS(=O)CC 527a_100020586998_100011387550 [0,1,0,0,0,0|2,0,0]=3 1816 B11R0.70 C=CCNC(=O)CNC(=O)CC 1626a_100020586998_100000194589 [0,1,0,0,0,0|2,0,1]=4 1817 B11R0.70 C=CCNC(=O)CNC(=O)CC 240690a_100020586998_100000194589 [0,1,0,0,0,0|2,0,1]=4 1818 B11R0.70 C=CCNC(=O)CNC(=O)CC 527a_100020586998_100000194589 [0,1,0,0,0,0|2,0,1]=4 1819 B11R0.70 C=CCNC(=O)CNC(C)CC 2230a_100000209981_100000183597 [0,1,0,0,0,0|2,0,0]=3 1820 B11R0.70 C=CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183597 [0,1,0,0,0,0|3,0,0]=4 1821 B11R0.70 C=CCNC(=O)COC(C)CC 7a_100000210228_100000183597 [0,1,0,0,0,0|2,0,0]=3 1822 B11R0.70 C=CCNC(=O)COC(C)CF 7a_100016041109_100000183597 [0,1,0,0,0,0|3,0,0]=4 1823 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000183597_100000758301 [0,1,0,0,0,0|2,0,0]=3 1824 B11R0.70 C=CCNC(=O)CSC(C)CC 62a_100000758301_100000183597 [0,1,0,0,0,0|2,0,0]=3 1825 B11R0.70 C=CCNC(=O)CSC(C)CO 62a_100012180447_100000183597 [0,1,0,0,0,0|3,0,0]=4 1826 B11R0.70 C=CCNC(=O)CSC(C)OC 62a_100000183597_100009879195 [0,1,0,0,0,0|3,0,0]=4 1827 B11R0.70 C=CCNC(=O)CSC(C)OC 62a_100009879195_100000183597 [0,1,0,0,0,0|3,0,0]=4 1828 B11R0.70 C=CCNC(=O)CS[C@H](C)CO 62a_100000183597_100016084084 [0,1,0,0,0,0|3,0,0]=4 1829 B11R0.70 C=CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183597 [0,1,0,0,0,0|3,0,0]=4 1830 B11R0.70 C=CCNC(=O)NCC(C)CC 2708a_100020588543_100020586998 [0,1,0,0,0,0|2,0,0]=3 1831 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020586998_100020588543 [0,1,0,0,0,0|2,0,0]=3 1832 B11R0.70 C=CCNC(=O)NCC(C)CC 273464a_100020588543_100020586998 [0,1,0,0,0,0|2,0,0]=3 1833 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020586998_100020588543 [0,1,0,0,0,0|2,0,0]=3 1834 B11R0.70 C=CCNC(=O)NCC(C)CC 512a_100020588543_100020586998 [0,1,0,0,0,0|2,0,0]=3 1835 B11R0.70 C=CCNC(=O)NCC(C)CO 273464a_100000744482_100020586998 [0,1,0,0,0,0|3,0,0]=4 1836 B11R0.70 C=CCNC(=O)NCC(C)CO 273464a_100020586998_100000744482 [0,1,0,0,0,0|3,0,0]=4 1837 B11R0.70 C=CCNC(=O)NCC(C)CO 512a_100000744482_100020586998 [0,1,0,0,0,0|3,0,0]=4 1838 B11R0.70 C=CCNC(=O)NCC(C)CO 512a_100020586998_100000744482 [0,1,0,0,0,0|3,0,0]=4 1839 B11R0.70 C=CCNC(=O)NCC(O)CC 273464a_100011218483_100020586998 [0,1,0,0,0,0|2,0,0]=3 1840 B11R0.70 C=CCNC(=O)NCC(O)CC 273464a_100020586998_100011218483 [0,1,0,0,0,0|2,0,0]=3 1841 B11R0.70 C=CCNC(=O)NCC(O)CC 512a_100011218483_100020586998 [0,1,0,0,0,0|2,0,0]=3 1842 B11R0.70 C=CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100020586998 [0,1,0,0,0,0|3,0,0]=4 1843 B11R0.70 C=CCNC(=O)NC[C@@H](C)OC 273464a_100020586998_100020591295 [0,1,0,0,0,0|3,0,0]=4 1844 B11R0.70 C=CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100020586998 [0,1,0,0,0,0|3,0,0]=4 1845 B11R0.70 C=CCNC(=O)NC[C@@H](C)OC 512a_100020586998_100020591295 [0,1,0,0,0,0|3,0,0]=4 1846 B11R0.70 C=CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100020586998 [0,1,0,0,0,0|3,0,0]=4 1847 B11R0.70 C=CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100020586998 [0,1,0,0,0,0|3,0,0]=4 1848 B11R0.70 C=CCNC(=O)NC[C@@H](F)CO 273464a_100020586998_100015665980 [0,1,0,0,0,0|3,0,0]=4 1849 B11R0.70 C=CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100020586998 [0,1,0,0,0,0|3,0,0]=4 1850 B11R0.70 C=CCNC(=O)NC[C@@H](F)CO 512a_100020586998_100015665980 [0,1,0,0,0,0|3,0,0]=4 1851 B11R0.70 C=CCNC(=O)NC[C@H](O)CO 273464a_100020586998_100020644852 [0,1,0,0,0,0|3,0,0]=4 1852 B11R0.70 C=CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100020586998 [0,1,0,0,0,0|3,0,0]=4 1853 B11R0.70 C=CCNC(=O)NNC(C)CC 273464a_100020586998_100000718999 [0,1,0,0,0,0|3,0,0]=4 1854 B11R0.70 C=CCNC(=O)NNC(C)CC 512a_100000718999_100020586998 [0,1,0,0,0,0|3,0,0]=4 1855 B11R0.70 C=CCNC(=O)NNC(C)CC 512a_100020586998_100000718999 [0,1,0,0,0,0|3,0,0]=4 1856 B11R0.70 C=CCOC(=O)CNC(C)C#N 2230a_100000737613_100000033060 [0,1,0,0,0,0|2,0,1]=4 1857 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [0,1,0,0,0,0|1,0,0]=2 1858 B11R0.70 C=CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000033060 [0,1,0,0,0,0|2,0,0]=3 1859 B11R0.70 C=CCOC(=O)COC(C)C#N 34a_100011218135_100000033060 [0,1,0,0,0,0|2,0,1]=4 1860 B11R0.70 C=CCOC(=O)COC(C)C=C 34a_100000695699_100000033060 [0,1,0,0,0,0|1,0,2]=4 1861 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [0,1,0,0,0,0|1,0,0]=2 1862 B11R0.70 C=CCOC(=O)COC(C)CF 34a_100016041109_100000033060 [0,1,0,0,0,0|2,0,0]=3 1863 B11R0.70 C=CCOC(=O)COC(C)CF 7a_100016041109_100000033060 [0,1,0,0,0,0|2,0,0]=3 1864 B11R0.70 C=CCOC(=O)COC(C)CN 34a_100000210904_100000033060 [0,1,0,0,0,0|2,0,0]=3 1865 B11R0.70 C=CCOC(=O)CSC(C)C#N 62a_100000033060_100000703298 [0,1,0,0,0,0|2,0,1]=4 1866 B11R0.70 C=CCOC(=O)CSC(C)C#N 62a_100000703298_100000033060 [0,1,0,0,0,0|2,0,1]=4 1867 B11R0.70 C=CCOC(=O)CSC(C)C=C 62a_100011215867_100000033060 [0,1,0,0,0,0|1,0,2]=4 1868 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [0,1,0,0,0,0|1,0,0]=2 1869 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [0,1,0,0,0,0|1,0,0]=2 1870 B11R0.70 C=CCOC(=O)CSC(C)CO 62a_100012180447_100000033060 [0,1,0,0,0,0|2,0,0]=3 1871 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100000033060_100009879195 [0,1,0,0,0,0|2,0,0]=3 1872 B11R0.70 C=CCOC(=O)CSC(C)OC 62a_100009879195_100000033060 [0,1,0,0,0,0|2,0,0]=3 1873 B11R0.70 C=CCOC(=O)CSC(F)C#N 62a_100000033060_200000117898 [0,1,0,0,0,0|2,0,1]=4 1874 B11R0.70 C=CCOC(=O)CSC(F)C#N 62a_200000117898_100000033060 [0,1,0,0,0,0|2,0,1]=4 1875 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100000033060_100016084084 [0,1,0,0,0,0|2,0,0]=3 1876 B11R0.70 C=CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000033060 [0,1,0,0,0,0|2,0,0]=3 1877 B11R0.70 C=CCOC(=O)NCC(=O)CC 1458a_100000216761_100000210202 [0,1,0,0,0,0|1,0,1]=3 1878 B11R0.70 C=CCOC(=O)NCC(=O)CF 1458a_100000216761_100015361967 [0,1,0,0,0,0|2,0,1]=4 1879 B11R0.70 C=CCOC(=O)NCC(=O)NC 11a_106832991635_100000216761 [0,1,0,0,0,0|2,0,1]=4 1880 B11R0.70 C=CCOC(=O)NCC(=O)NC 1626a_100102657272_100000216761 [0,1,0,0,0,0|2,0,1]=4 1881 B11R0.70 C=CCOC(=O)NCC(=O)NC 240690a_100102657272_100000216761 [0,1,0,0,0,0|2,0,1]=4 1882 B11R0.70 C=CCOC(=O)NCC(=O)NC 527a_100102657272_100000216761 [0,1,0,0,0,0|2,0,1]=4 1883 B11R0.70 C=CCOC(C)CCC(C)CC 7a_200011216552_100015514636 [0,1,0,0,0,0|1,0,1]=3 1884 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [0,1,0,0,0,0|1,0,2]=4 1885 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [0,1,0,0,0,0|2,0,1]=4 1886 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,1,0,0,0,0|2,0,1]=4 1887 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,1,0,0,0,0|2,0,1]=4 1888 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,1,0,0,0,0|2,0,1]=4 1889 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,1,0,0,0,0|2,0,1]=4 1890 B11R0.70 CCC(C)CCC(=O)NCC#N 1626a_100000734998_100000701222 [0,1,0,0,0,0|2,0,1]=4 1891 B11R0.70 CCC(C)CCC(=O)NCC#N 527a_100000734998_100000701222 [0,1,0,0,0,0|2,0,1]=4 1892 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,1,0,0,0,0|2,0,1]=4 1893 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,1,0,0,0,0|2,0,1]=4 1894 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,1,0,0,0,0|2,0,1]=4 1895 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,1,0,0,0,0|2,0,1]=4 1896 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,1,0,0,0,0|2,0,1]=4 1897 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,1,0,0,0,0|2,0,1]=4 1898 B11R0.70 CCC(C)CCC(C)OCC=O 7a_200011216552_200015260668 [0,1,0,0,0,0|2,0,1]=4 1899 B11R0.70 CCC(O)CCC(=O)NCC#N 1626a_100000734998_203496584001 [0,1,0,0,0,0|2,0,1]=4 1900 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,1,0,0,0,0|2,0,1]=4 1901 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,1,0,0,0,0|2,0,1]=4 1902 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,1,0,0,0,0|2,0,1]=4 1903 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,1,0,0,0,0|1,0,2]=4 1904 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,1,0,0,0,0|1,0,2]=4 1905 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,1,0,0,0,0|1,0,2]=4 1906 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,1,0,0,0,0|1,0,2]=4 1907 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,1,0,0,0,0|1,0,2]=4 1908 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,1,0,0,0,0|1,0,2]=4 1909 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,1,0,0,0,0|1,0,2]=4 1910 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,1,0,0,0,0|1,0,2]=4 1911 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,1,0,0,0,0|1,0,2]=4 1912 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,1,0,0,0,0|1,0,2]=4 1913 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,1,0,0,0,0|1,0,2]=4 1914 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,2]=4 1915 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,2]=4 1916 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,1,0,0,0,0|1,0,2]=4 1917 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,1,0,0,0,0|1,0,2]=4 1918 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,1,0,0,0,0|1,0,2]=4 1919 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,1,0,0,0,0|1,0,2]=4 1920 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,1,0,0,0,0|1,0,2]=4 1921 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,1,0,0,0,0|1,0,2]=4 1922 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,1,0,0,0,0|1,0,2]=4 1923 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,1,0,0,0,0|1,0,2]=4 1924 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,1,0,0,0,0|1,0,2]=4 1925 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,1,0,0,0,0|1,0,2]=4 1926 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,1,0,0,0,0|1,0,2]=4 1927 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 1928 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 1929 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 1930 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 1931 B11R0.81 C#CCCCCC(=O)C=CC=C 1458a_100016291481_100010269958 [0,1,0,0,0,0|1,0,2]=4 1932 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000696528_100000754431 [0,1,0,0,0,0|1,0,1]=3 1933 B11R0.81 C#CCCCCC(=O)CCC=C 1458a_100000749702_100010269958 [0,1,0,0,0,0|1,0,1]=3 1934 B11R0.81 C#CCCCCC(=O)NCC=C 1626a_100020586998_100000696528 [0,1,0,0,0,0|1,0,1]=3 1935 B11R0.81 C#CCCCCC(=O)NCC=C 240690a_100020586998_100000696528 [0,1,0,0,0,0|1,0,1]=3 1936 B11R0.81 C#CCCCCC(=O)NCC=C 527a_100020586998_100000696528 [0,1,0,0,0,0|1,0,1]=3 1937 B11R0.81 C#CCCCNC(=O)CCC=C 11a_100000718082_100000749702 [0,1,0,0,0,0|1,0,2]=4 1938 B11R0.81 C#CCCCNC(=O)CCC=C 1626a_100000718082_100000749702 [0,1,0,0,0,0|1,0,2]=4 1939 B11R0.81 C#CCCCNC(=O)CCC=C 240690a_100000718082_100000749702 [0,1,0,0,0,0|1,0,2]=4 1940 B11R0.81 C#CCCCNC(=O)CCC=C 527a_100000718082_100000749702 [0,1,0,0,0,0|1,0,2]=4 1941 B11R0.81 C#CCCCNC(=O)NCC=C 2708a_100000718082_100020586998 [0,1,0,0,0,0|1,0,2]=4 1942 B11R0.81 C#CCCCNC(=O)NCC=C 273464a_100000718082_100020586998 [0,1,0,0,0,0|1,0,2]=4 1943 B11R0.81 C#CCCCNC(=O)NCC=C 273464a_100020586998_100000718082 [0,1,0,0,0,0|1,0,2]=4 1944 B11R0.81 C#CCCCNC(=O)NCC=C 512a_100000718082_100020586998 [0,1,0,0,0,0|1,0,2]=4 1945 B11R0.81 C#CCCCNC(=O)NCC=C 512a_100020586998_100000718082 [0,1,0,0,0,0|1,0,2]=4 1946 B11R0.81 C#CCCNCC(=O)OCC=C 34a_100000755551_100000033060 [0,1,0,0,0,0|0,0,2]=3 1947 B11R0.81 C#CCCOCC(=O)OCC=C 34a_100011215631_100000033060 [0,1,0,0,0,0|0,0,2]=3 1948 B11R0.81 C#CCCSCC(=O)NCC=C 62a_100000183597_100000688953 [0,1,0,0,0,0|1,0,2]=4 1949 B11R0.81 C#CCCSCC(=O)NCC=C 62a_100000688953_100000183597 [0,1,0,0,0,0|1,0,2]=4 1950 B11R0.81 C#CCCSCC(=O)OCC=C 62a_100000033060_100000688953 [0,1,0,0,0,0|0,0,2]=3 1951 B11R0.81 C#CCCSCC(=O)OCC=C 62a_100000688953_100000033060 [0,1,0,0,0,0|0,0,2]=3 1952 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 1953 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 1954 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 1955 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 1956 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,1,0,0,0,0|1,0,2]=4 1957 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,1,0,0,0,0|1,0,2]=4 1958 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,1,0,0,0,0|1,0,2]=4 1959 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 1960 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 1961 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 1962 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 1963 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 1964 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 1965 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 1966 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 1967 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 1968 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 1969 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 1970 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 1971 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 1972 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 1973 B11R0.81 C#CCOCCC(=O)CCC=C 1458a_100000693358_100000754431 [0,1,0,0,0,0|1,0,2]=4 1974 B11R0.81 C#CCOCCC(=O)CCC=C 1458a_100000749702_100010402529 [0,1,0,0,0,0|1,0,2]=4 1975 B11R0.81 C#CCOCCC(=O)NCC=C 1626a_100020586998_100000693358 [0,1,0,0,0,0|1,0,2]=4 1976 B11R0.81 C#CCOCCC(=O)NCC=C 240690a_100020586998_100000693358 [0,1,0,0,0,0|1,0,2]=4 1977 B11R0.81 C#CCOCCC(=O)NCC=C 527a_100020586998_100000693358 [0,1,0,0,0,0|1,0,2]=4 1978 B11R0.81 C#CCSCCC(=O)NCC=C 62a_100000038162_100011222895 [0,1,0,0,0,0|1,0,2]=4 1979 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,2]=4 1980 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,1,0,0,0,0|1,0,2]=4 1981 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,1,0,0,0,0|1,0,2]=4 1982 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,1,0,0,0,0|1,0,2]=4 1983 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,1,0,0,0,0|2,0,1]=4 1984 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,1,0,0,0,0|2,0,1]=4 1985 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,1,0,0,0,0|2,0,1]=4 1986 B11R0.81 C=CC=CC(=O)CC/C=C\CC 1458a_100016291481_100015370543 [0,1,0,0,0,0|1,0,2]=4 1987 B11R0.81 C=CC=CC(=O)CCCCC#N 1458a_100016291481_100000211819 [0,1,0,0,0,0|1,0,2]=4 1988 B11R0.81 C=CC=CC(=O)CCCCC=C 1458a_100016291481_100011215482 [0,1,0,0,0,0|1,0,2]=4 1989 B11R0.81 C=CC=CC(=O)CCCCCC 1458a_100016291481_100000210757 [0,1,0,0,0,0|1,0,1]=3 1990 B11R0.81 C=CC=CC(=O)CCCCCF 1458a_100016291481_100000729378 [0,1,0,0,0,0|1,0,1]=3 1991 B11R0.81 C=CC=CC(=O)CCCCCO 1458a_100016291481_100000746330 [0,1,0,0,0,0|1,0,1]=3 1992 B11R0.81 C=CC=CC(=O)CCCCOC 1458a_100016291481_100000755781 [0,1,0,0,0,0|1,0,1]=3 1993 B11R0.81 C=CC=CC(=O)CCCOCC 1458a_100016291481_100012232248 [0,1,0,0,0,0|1,0,1]=3 1994 B11R0.81 C=CC=CC(=O)CCOCCC 1458a_100016291481_100011215938 [0,1,0,0,0,0|1,0,1]=3 1995 B11R0.81 C=CC=CC(=O)CCOCCO 1458a_100016291481_100011215305 [0,1,0,0,0,0|2,0,1]=4 1996 B11R0.81 C=CC=CC(=O)COCCCC 1458a_100016291481_100011995733 [0,1,0,0,0,0|1,0,1]=3 1997 B11R0.81 C=CC=CC(=O)NCCCCC 1626a_100000209983_100016291481 [0,1,0,0,0,0|1,0,1]=3 1998 B11R0.81 C=CC=CC(=O)NCCCOC 1626a_100150723488_100016291481 [0,1,0,0,0,0|2,0,1]=4 1999 B11R0.81 C=CC=CC(=O)NCCCSC 1626a_100000749238_100016291481 [0,1,0,0,0,0|2,0,1]=4 2000 B11R0.81 C=CC=CC(=O)NCCOCC 1626a_102516460346_100016291481 [0,1,0,0,0,0|2,0,1]=4 2001 B11R0.81 C=CC=CC(=O)NCCSCC 1626a_100000106463_100016291481 [0,1,0,0,0,0|2,0,1]=4 2002 B11R0.81 C=CC=CC(=O)NNCCCC 22a_100025702795_100016291481 [0,1,0,0,0,0|2,0,1]=4 2003 B11R0.81 C=CCCC(=NNCCCC)C 4a_100025702795_100000762624 [0,1,0,0,0,0|3,0,0]=4 2004 B11R0.81 C=CCCC(=O)C/C=C/CCC 1458a_200016266809_100000754431 [0,1,0,0,0,0|1,0,1]=3 2005 B11R0.81 C=CCCC(=O)C=CCCCC 1458a_100016266645_100000754431 [0,1,0,0,0,0|1,0,1]=3 2006 B11R0.81 C=CCCC(=O)CC/C=C\CC 1458a_100000749702_100015370543 [0,1,0,0,0,0|1,0,1]=3 2007 B11R0.81 C=CCCC(=O)CCCCC#N 1458a_100000749702_100000211819 [0,1,0,0,0,0|1,0,1]=3 2008 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,0]=2 2009 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,0]=2 2010 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,1,0,0,0,0|1,0,0]=2 2011 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|1,0,0]=2 2012 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|1,0,0]=2 2013 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,1,0,0,0,0|1,0,0]=2 2014 B11R0.81 C=CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000754431 [0,1,0,0,0,0|3,0,0]=4 2015 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,1,0,0,0,0|1,0,0]=2 2016 B11R0.81 C=CCCC(=O)CCOCC#N 1458a_100000749702_200000047693 [0,1,0,0,0,0|2,0,1]=4 2017 B11R0.81 C=CCCC(=O)CCOCC=C 1458a_200011217002_100000754431 [0,1,0,0,0,0|1,0,2]=4 2018 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,1,0,0,0,0|1,0,0]=2 2019 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100000749702_100011215305 [0,1,0,0,0,0|2,0,0]=3 2020 B11R0.81 C=CCCC(=O)CCOCCO 1458a_100011229844_100000754431 [0,1,0,0,0,0|2,0,0]=3 2021 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,1,0,0,0,0|1,0,0]=2 2022 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,1,0,0,0,0|1,0,0]=2 2023 B11R0.81 C=CCCC(=O)COCCOC 1458a_100000211095_100000754431 [0,1,0,0,0,0|2,0,0]=3 2024 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,1,0,0,0,0|1,0,0]=2 2025 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,0,0,0,0|1,0,0]=2 2026 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,0,0,0,0|1,0,0]=2 2027 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,0,0,0,0|1,0,0]=2 2028 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,0,0,0,0|1,0,0]=2 2029 B11R0.81 C=CCCC(=O)NCCCCO 240690a_100000750430_100000749702 [0,1,0,0,0,0|2,0,0]=3 2030 B11R0.81 C=CCCC(=O)NCCCCO 527a_100000750430_100000749702 [0,1,0,0,0,0|2,0,0]=3 2031 B11R0.81 C=CCCC(=O)NCCCOC 1626a_100150723488_100000749702 [0,1,0,0,0,0|2,0,0]=3 2032 B11R0.81 C=CCCC(=O)NCCCOC 240690a_100150723488_100000749702 [0,1,0,0,0,0|2,0,0]=3 2033 B11R0.81 C=CCCC(=O)NCCCOC 527a_100150723488_100000749702 [0,1,0,0,0,0|2,0,0]=3 2034 B11R0.81 C=CCCC(=O)NCCCSC 11a_100000749238_100000749702 [0,1,0,0,0,0|2,0,0]=3 2035 B11R0.81 C=CCCC(=O)NCCCSC 1626a_100000749238_100000749702 [0,1,0,0,0,0|2,0,0]=3 2036 B11R0.81 C=CCCC(=O)NCCCSC 240690a_100000749238_100000749702 [0,1,0,0,0,0|2,0,0]=3 2037 B11R0.81 C=CCCC(=O)NCCCSC 527a_100000749238_100000749702 [0,1,0,0,0,0|2,0,0]=3 2038 B11R0.81 C=CCCC(=O)NCCOCC 11a_100011200944_100000749702 [0,1,0,0,0,0|2,0,0]=3 2039 B11R0.81 C=CCCC(=O)NCCOCC 1626a_102516460346_100000749702 [0,1,0,0,0,0|2,0,0]=3 2040 B11R0.81 C=CCCC(=O)NCCOCC 240690a_100011200944_100000749702 [0,1,0,0,0,0|2,0,0]=3 2041 B11R0.81 C=CCCC(=O)NCCOCC 527a_100011200944_100000749702 [0,1,0,0,0,0|2,0,0]=3 2042 B11R0.81 C=CCCC(=O)NCCSCC 11a_100000106463_100000749702 [0,1,0,0,0,0|2,0,0]=3 2043 B11R0.81 C=CCCC(=O)NCCSCC 1626a_100000106463_100000749702 [0,1,0,0,0,0|2,0,0]=3 2044 B11R0.81 C=CCCC(=O)NCCSCC 240690a_100000106463_100000749702 [0,1,0,0,0,0|2,0,0]=3 2045 B11R0.81 C=CCCC(=O)NCCSCC 527a_100000106463_100000749702 [0,1,0,0,0,0|2,0,0]=3 2046 B11R0.81 C=CCCC(=O)NNCCCC 22a_100025702795_100000749702 [0,1,0,0,0,0|2,0,0]=3 2047 B11R0.81 C=CCCC(=O)NNCCOC 22a_100000741390_100000749702 [0,1,0,0,0,0|3,0,0]=4 2048 B11R0.81 C=CCCC(C)NCCCCC 270004a_100000209983_100000762624 [0,1,0,0,0,0|2,0,1]=4 2049 B11R0.81 C=CCCC(C)OCCCCC 34a_100000765329_100000718602 [0,1,0,0,0,0|2,0,1]=4 2050 B11R0.81 C=CCCC(C)OCCCCC 7a_100000765329_100000210326 [0,1,0,0,0,0|2,0,1]=4 2051 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100000749702_100011215482 [0,1,0,0,0,0|1,0,1]=3 2052 B11R0.81 C=CCCCCC(=O)CCC=C 1458a_100011215552_100000754431 [0,1,0,0,0,0|1,0,1]=3 2053 B11R0.81 C=CCCCCC(=O)NCC=C 1626a_100020586998_100011215552 [0,1,0,0,0,0|1,0,1]=3 2054 B11R0.81 C=CCCCCC(=O)NCC=C 240690a_100020586998_100011215552 [0,1,0,0,0,0|1,0,1]=3 2055 B11R0.81 C=CCCCCC(=O)NCC=C 527a_100020586998_100011215552 [0,1,0,0,0,0|1,0,1]=3 2056 B11R0.81 C=CCCCNC(=O)CCC=C 11a_100000700776_100000749702 [0,1,0,0,0,0|1,0,2]=4 2057 B11R0.81 C=CCCCNC(=O)CCC=C 1626a_100000700776_100000749702 [0,1,0,0,0,0|1,0,2]=4 2058 B11R0.81 C=CCCCNC(=O)CCC=C 240690a_100000700776_100000749702 [0,1,0,0,0,0|1,0,2]=4 2059 B11R0.81 C=CCCCNC(=O)CCC=C 527a_100000700776_100000749702 [0,1,0,0,0,0|1,0,2]=4 2060 B11R0.81 C=CCCCNC(=O)NCC=C 2708a_100000700776_100020586998 [0,1,0,0,0,0|1,0,2]=4 2061 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100000700776_100020586998 [0,1,0,0,0,0|1,0,2]=4 2062 B11R0.81 C=CCCCNC(=O)NCC=C 273464a_100020586998_100000700776 [0,1,0,0,0,0|1,0,2]=4 2063 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100000700776_100020586998 [0,1,0,0,0,0|1,0,2]=4 2064 B11R0.81 C=CCCCNC(=O)NCC=C 512a_100020586998_100000700776 [0,1,0,0,0,0|1,0,2]=4 2065 B11R0.81 C=CCCN(C)CCCCCC 2230a_100020639649_100000210314 [0,1,0,0,0,0|3,0,0]=4 2066 B11R0.81 C=CCCN(C)CCCCCC 2230a_106256046315_100000754431 [0,1,0,0,0,0|3,0,0]=4 2067 B11R0.81 C=CCCN(C)CCCCCC 269982a_100020639649_100000210757 [0,1,0,0,0,0|3,0,0]=4 2068 B11R0.81 C=CCCN(C)CCCCCC 269982a_106256046315_100000754431 [0,1,0,0,0,0|3,0,0]=4 2069 B11R0.81 C=CCCN(C)CCCCCF 2230a_100020639649_100000729378 [0,1,0,0,0,0|3,0,0]=4 2070 B11R0.81 C=CCCN(C)CCCCCF 269982a_100020639649_100000729378 [0,1,0,0,0,0|3,0,0]=4 2071 B11R0.81 C=CCCN(C)CCCCCO 2230a_100000722520_100000754431 [0,1,0,0,0,0|3,0,0]=4 2072 B11R0.81 C=CCCN(C)CCCCCO 2230a_100020639649_100000746330 [0,1,0,0,0,0|3,0,0]=4 2073 B11R0.81 C=CCCN(C)CCCCCO 269982a_100000722520_100000754431 [0,1,0,0,0,0|3,0,0]=4 2074 B11R0.81 C=CCCN(C)CCCCCO 269982a_100020639649_100000746330 [0,1,0,0,0,0|3,0,0]=4 2075 B11R0.81 C=CCCN(C)CCCCOC 2230a_100020639649_100000730899 [0,1,0,0,0,0|3,0,0]=4 2076 B11R0.81 C=CCCN(C)CCCCOC 269982a_100020639649_100000730899 [0,1,0,0,0,0|3,0,0]=4 2077 B11R0.81 C=CCCN(C)CCCOCC 2230a_100020639649_100012232248 [0,1,0,0,0,0|3,0,0]=4 2078 B11R0.81 C=CCCN(C)CCCOCC 269982a_100020639649_100012232248 [0,1,0,0,0,0|3,0,0]=4 2079 B11R0.81 C=CCCN(C)CCOCCC 2230a_100020639649_100011215938 [0,1,0,0,0,0|3,0,0]=4 2080 B11R0.81 C=CCCN(C)CCOCCC 269982a_100020639649_100011215938 [0,1,0,0,0,0|3,0,0]=4 2081 B11R0.81 C=CCCN(C)COCCCC 2230a_100020639649_100011995733 [0,1,0,0,0,0|3,0,0]=4 2082 B11R0.81 C=CCCN(C)COCCCC 269982a_100020639649_100011995733 [0,1,0,0,0,0|3,0,0]=4 2083 B11R0.81 C=CCCNCC(=O)NCC=C 2230a_100015191253_100000183597 [0,1,0,0,0,0|1,0,2]=4 2084 B11R0.81 C=CCCNCC(=O)OCC=C 2230a_100015191253_100000033060 [0,1,0,0,0,0|0,0,2]=3 2085 B11R0.81 C=CCCOCC(=O)OCC=C 34a_100011205117_100000033060 [0,1,0,0,0,0|0,0,2]=3 2086 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000183597_100000754431 [0,1,0,0,0,0|1,0,2]=4 2087 B11R0.81 C=CCCSCC(=O)NCC=C 62a_100000754431_100000183597 [0,1,0,0,0,0|1,0,2]=4 2088 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000033060_100000754431 [0,1,0,0,0,0|0,0,2]=3 2089 B11R0.81 C=CCCSCC(=O)OCC=C 62a_100000754431_100000033060 [0,1,0,0,0,0|0,0,2]=3 2090 B11R0.81 C=CCNC(=O)C/C=C/CCC 1626a_100020586998_200016266809 [0,1,0,0,0,0|1,0,1]=3 2091 B11R0.81 C=CCNC(=O)C/C=C/CCC 240690a_100020586998_200016266809 [0,1,0,0,0,0|1,0,1]=3 2092 B11R0.81 C=CCNC(=O)C/C=C/CCC 527a_100020586998_200016266809 [0,1,0,0,0,0|1,0,1]=3 2093 B11R0.81 C=CCNC(=O)C=CCCCC 1626a_100020586998_100016266645 [0,1,0,0,0,0|1,0,1]=3 2094 B11R0.81 C=CCNC(=O)C=CCCCC 240690a_100020586998_100016266645 [0,1,0,0,0,0|1,0,1]=3 2095 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,1,0,0,0,0|1,0,0]=2 2096 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,1,0,0,0,0|1,0,0]=2 2097 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,1,0,0,0,0|1,0,0]=2 2098 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,1,0,0,0,0|1,0,0]=2 2099 B11R0.81 C=CCNC(=O)CCCN=[N+]=[N-] 240690a_100020586998_100010262590 [0,1,0,0,0,0|3,0,0]=4 2100 B11R0.81 C=CCNC(=O)CCCN=[N+]=[N-] 527a_100020586998_100010262590 [0,1,0,0,0,0|3,0,0]=4 2101 B11R0.81 C=CCNC(=O)CCNCCO 2230a_100016997473_100011222895 [0,1,0,0,0,0|2,0,0]=3 2102 B11R0.81 C=CCNC(=O)CCOCC=C 1626a_100020586998_200011217002 [0,1,0,0,0,0|1,0,2]=4 2103 B11R0.81 C=CCNC(=O)CCOCC=C 240690a_100020586998_200011217002 [0,1,0,0,0,0|1,0,2]=4 2104 B11R0.81 C=CCNC(=O)CCOCC=C 527a_100020586998_200011217002 [0,1,0,0,0,0|1,0,2]=4 2105 B11R0.81 C=CCNC(=O)CCOCCO 1626a_100020586998_100011229844 [0,1,0,0,0,0|2,0,0]=3 2106 B11R0.81 C=CCNC(=O)CCOCCO 240690a_100020586998_100011229844 [0,1,0,0,0,0|2,0,0]=3 2107 B11R0.81 C=CCNC(=O)CCSCC#N 62a_100011215382_100011222895 [0,1,0,0,0,0|2,0,1]=4 2108 B11R0.81 C=CCNC(=O)CCSCC#N 62a_100011222895_100011215382 [0,1,0,0,0,0|2,0,1]=4 2109 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100000210623_100011222895 [0,1,0,0,0,0|1,0,2]=4 2110 B11R0.81 C=CCNC(=O)CCSCC=C 62a_100011222895_100000210623 [0,1,0,0,0,0|1,0,2]=4 2111 B11R0.81 C=CCNC(=O)CCSCC=O 62a_100011222895_200015260668 [0,1,0,0,0,0|2,0,1]=4 2112 B11R0.81 C=CCNC(=O)CCSCC=O 62a_200015260668_100011222895 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,1,0,0,0,0|1,0,0]=2 2114 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,1,0,0,0,0|1,0,0]=2 2115 B11R0.81 C=CCNC(=O)CCSCCF 62a_100011217306_100011222895 [0,1,0,0,0,0|2,0,0]=3 2116 B11R0.81 C=CCNC(=O)CCSCCF 62a_100011222895_100011217306 [0,1,0,0,0,0|2,0,0]=3 2117 B11R0.81 C=CCNC(=O)CCSCCO 62a_100000211926_100011222895 [0,1,0,0,0,0|2,0,0]=3 2118 B11R0.81 C=CCNC(=O)CCSCCO 62a_100011222895_100000211926 [0,1,0,0,0,0|2,0,0]=3 2119 B11R0.81 C=CCNC(=O)CCSCOC 62a_100000766300_100011222895 [0,1,0,0,0,0|2,0,0]=3 2120 B11R0.81 C=CCNC(=O)CCSCOC 62a_100011222895_100000766300 [0,1,0,0,0,0|2,0,0]=3 2121 B11R0.81 C=CCNC(=O)CCSCSC 62a_100011218213_100011222895 [0,1,0,0,0,0|2,0,0]=3 2122 B11R0.81 C=CCNC(=O)CCSCSC 62a_100011222895_100011218213 [0,1,0,0,0,0|2,0,0]=3 2123 B11R0.81 C=CCNC(=O)CNCC#CC 2230a_100000685387_100000183597 [0,1,0,0,0,0|1,0,2]=4 2124 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,1,0,0,0,0|1,0,0]=2 2125 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,1,0,0,0,0|1,0,0]=2 2126 B11R0.81 C=CCNC(=O)CNCCCF 2230a_100015189416_100000183597 [0,1,0,0,0,0|2,0,0]=3 2127 B11R0.81 C=CCNC(=O)CNCCOC 2230a_100000209980_100000183597 [0,1,0,0,0,0|2,0,0]=3 2128 B11R0.81 C=CCNC(=O)CNCCSC 2230a_100020590264_100000183597 [0,1,0,0,0,0|2,0,0]=3 2129 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,1,0,0,0,0|1,0,0]=2 2130 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,1,0,0,0,0|1,0,0]=2 2131 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,1,0,0,0,0|1,0,0]=2 2132 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,1,0,0,0,0|1,0,0]=2 2133 B11R0.81 C=CCNC(=O)COCCOC 1626a_100020586998_100000211095 [0,1,0,0,0,0|2,0,0]=3 2134 B11R0.81 C=CCNC(=O)COCCOC 240690a_100020586998_100000211095 [0,1,0,0,0,0|2,0,0]=3 2135 B11R0.81 C=CCNC(=O)COCCOC 527a_100020586998_100000211095 [0,1,0,0,0,0|2,0,0]=3 2136 B11R0.81 C=CCNC(=O)COCCSC 7a_100000230434_100000183597 [0,1,0,0,0,0|2,0,0]=3 2137 B11R0.81 C=CCNC(=O)CSC/C=C/C 62a_100000183597_100102629194 [0,1,0,0,0,0|1,0,2]=4 2138 B11R0.81 C=CCNC(=O)CSC/C=C/C 62a_100102629194_100000183597 [0,1,0,0,0,0|1,0,2]=4 2139 B11R0.81 C=CCNC(=O)CSCC#CC 62a_100000183597_100000748600 [0,1,0,0,0,0|1,0,2]=4 2140 B11R0.81 C=CCNC(=O)CSCC#CC 62a_100000748600_100000183597 [0,1,0,0,0,0|1,0,2]=4 2141 B11R0.81 C=CCNC(=O)CSCC=CC 62a_100000070051_100000183597 [0,1,0,0,0,0|1,0,2]=4 2142 B11R0.81 C=CCNC(=O)CSCC=CC 62a_100000183597_100000070051 [0,1,0,0,0,0|1,0,2]=4 2143 B11R0.81 C=CCNC(=O)CSCCC#N 62a_100000183597_100011215226 [0,1,0,0,0,0|2,0,1]=4 2144 B11R0.81 C=CCNC(=O)CSCCC#N 62a_100011215226_100000183597 [0,1,0,0,0,0|2,0,1]=4 2145 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,1,0,0,0,0|1,0,0]=2 2146 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,1,0,0,0,0|1,0,0]=2 2147 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,1,0,0,0,0|1,0,0]=2 2148 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,1,0,0,0,0|1,0,0]=2 2149 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,1,0,0,0,0|1,0,0]=2 2150 B11R0.81 C=CCNC(=O)CSCCCF 62a_100000183597_100011934791 [0,1,0,0,0,0|2,0,0]=3 2151 B11R0.81 C=CCNC(=O)CSCCCF 62a_100011934791_100000183597 [0,1,0,0,0,0|2,0,0]=3 2152 B11R0.81 C=CCNC(=O)CSCCCO 62a_100000183597_100011215043 [0,1,0,0,0,0|2,0,0]=3 2153 B11R0.81 C=CCNC(=O)CSCCCO 62a_100011215043_100000183597 [0,1,0,0,0,0|2,0,0]=3 2154 B11R0.81 C=CCNC(=O)CSCCOC 62a_100000183597_100000233755 [0,1,0,0,0,0|2,0,0]=3 2155 B11R0.81 C=CCNC(=O)CSCCOC 62a_100000233755_100000183597 [0,1,0,0,0,0|2,0,0]=3 2156 B11R0.81 C=CCNC(=O)CSCCSC 62a_100000183597_100000751147 [0,1,0,0,0,0|2,0,0]=3 2157 B11R0.81 C=CCNC(=O)CSCCSC 62a_100000212216_100000183597 [0,1,0,0,0,0|2,0,0]=3 2158 B11R0.81 C=CCNC(=O)CSCOCC 62a_100000183597_100000739092 [0,1,0,0,0,0|2,0,0]=3 2159 B11R0.81 C=CCNC(=O)CSCOCC 62a_100000739092_100000183597 [0,1,0,0,0,0|2,0,0]=3 2160 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,1,0,0,0,0|1,0,0]=2 2161 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,1,0,0,0,0|1,0,0]=2 2162 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,1,0,0,0,0|1,0,0]=2 2163 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,1,0,0,0,0|1,0,0]=2 2164 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,1,0,0,0,0|1,0,0]=2 2165 B11R0.81 C=CCNC(=O)NCCCCO 2708a_100000750430_100020586998 [0,1,0,0,0,0|2,0,0]=3 2166 B11R0.81 C=CCNC(=O)NCCCCO 273464a_100000750430_100020586998 [0,1,0,0,0,0|2,0,0]=3 2167 B11R0.81 C=CCNC(=O)NCCCCO 273464a_100020586998_100000750430 [0,1,0,0,0,0|2,0,0]=3 2168 B11R0.81 C=CCNC(=O)NCCCCO 512a_100000750430_100020586998 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.81 C=CCNC(=O)NCCCCO 512a_100020586998_100000750430 [0,1,0,0,0,0|2,0,0]=3 2170 B11R0.81 C=CCNC(=O)NCCCOC 2708a_100150723488_100020586998 [0,1,0,0,0,0|2,0,0]=3 2171 B11R0.81 C=CCNC(=O)NCCCOC 273464a_100020586998_100150723488 [0,1,0,0,0,0|2,0,0]=3 2172 B11R0.81 C=CCNC(=O)NCCCOC 273464a_100150723488_100020586998 [0,1,0,0,0,0|2,0,0]=3 2173 B11R0.81 C=CCNC(=O)NCCCOC 512a_100020586998_100150723488 [0,1,0,0,0,0|2,0,0]=3 2174 B11R0.81 C=CCNC(=O)NCCCSC 2708a_100000749238_100020586998 [0,1,0,0,0,0|2,0,0]=3 2175 B11R0.81 C=CCNC(=O)NCCCSC 273464a_100000749238_100020586998 [0,1,0,0,0,0|2,0,0]=3 2176 B11R0.81 C=CCNC(=O)NCCCSC 273464a_100020586998_100000749238 [0,1,0,0,0,0|2,0,0]=3 2177 B11R0.81 C=CCNC(=O)NCCCSC 512a_100000749238_100020586998 [0,1,0,0,0,0|2,0,0]=3 2178 B11R0.81 C=CCNC(=O)NCCCSC 512a_100020586998_100000749238 [0,1,0,0,0,0|2,0,0]=3 2179 B11R0.81 C=CCNC(=O)NCCOCC 2708a_100011200944_100020586998 [0,1,0,0,0,0|2,0,0]=3 2180 B11R0.81 C=CCNC(=O)NCCOCC 273464a_100020586998_102516460346 [0,1,0,0,0,0|2,0,0]=3 2181 B11R0.81 C=CCNC(=O)NCCOCC 273464a_102516460346_100020586998 [0,1,0,0,0,0|2,0,0]=3 2182 B11R0.81 C=CCNC(=O)NCCOCC 512a_100011200944_100020586998 [0,1,0,0,0,0|2,0,0]=3 2183 B11R0.81 C=CCNC(=O)NCCOCC 512a_100020586998_100011200944 [0,1,0,0,0,0|2,0,0]=3 2184 B11R0.81 C=CCNC(=O)NCCSCC 2708a_100000106463_100020586998 [0,1,0,0,0,0|2,0,0]=3 2185 B11R0.81 C=CCNC(=O)NCCSCC 273464a_100000106463_100020586998 [0,1,0,0,0,0|2,0,0]=3 2186 B11R0.81 C=CCNC(=O)NCCSCC 273464a_100020586998_100000106463 [0,1,0,0,0,0|2,0,0]=3 2187 B11R0.81 C=CCNC(=O)NCCSCC 512a_100000106463_100020586998 [0,1,0,0,0,0|2,0,0]=3 2188 B11R0.81 C=CCNC(=O)NCCSCC 512a_100020586998_100000106463 [0,1,0,0,0,0|2,0,0]=3 2189 B11R0.81 C=CCNC(=O)NNCCCC 273464a_100020586998_100025702795 [0,1,0,0,0,0|2,0,0]=3 2190 B11R0.81 C=CCNC(=O)NNCCCC 512a_100020586998_100025702795 [0,1,0,0,0,0|2,0,0]=3 2191 B11R0.81 C=CCNC(=O)NNCCCC 512a_100025702795_100020586998 [0,1,0,0,0,0|2,0,0]=3 2192 B11R0.81 C=CCNC(=O)NNCCOC 273464a_100020586998_100000741390 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.81 C=CCNC(C)CCCCCC 2230a_100000210919_100000210623 [0,1,0,0,0,0|2,0,1]=4 2194 B11R0.81 C=CCNC(C)CCCCCC 2230a_100020586998_100011215978 [0,1,0,0,0,0|2,0,1]=4 2195 B11R0.81 C=CCNC(C)CCCCCC 270004a_100020586998_100000210826 [0,1,0,0,0,0|2,0,1]=4 2196 B11R0.81 C=CCNC(C)CCCCCC 34a_100000210919_100015514636 [0,1,0,0,0,0|2,0,1]=4 2197 B11R0.81 C=CCNCCC(=O)NCC=C 2230a_100020586998_100011222895 [0,1,0,0,0,0|1,0,2]=4 2198 B11R0.81 C=CCOC(=O)CNCC#CC 2230a_100000685387_100000033060 [0,1,0,0,0,0|0,0,2]=3 2199 B11R0.81 C=CCOC(=O)CNCC#CC 34a_100000685387_100000033060 [0,1,0,0,0,0|0,0,2]=3 2200 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,1,0,0,0,0|0,0,0]=1 2201 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,1,0,0,0,0|0,0,0]=1 2202 B11R0.81 C=CCOC(=O)CNCCCF 2230a_100015189416_100000033060 [0,1,0,0,0,0|1,0,0]=2 2203 B11R0.81 C=CCOC(=O)CNCCCF 34a_100015189416_100000033060 [0,1,0,0,0,0|1,0,0]=2 2204 B11R0.81 C=CCOC(=O)CNCCOC 2230a_100000209980_100000033060 [0,1,0,0,0,0|1,0,0]=2 2205 B11R0.81 C=CCOC(=O)CNCCSC 2230a_100020590264_100000033060 [0,1,0,0,0,0|1,0,0]=2 2206 B11R0.81 C=CCOC(=O)COC/C=C/C 34a_100016270725_100000033060 [0,1,0,0,0,0|0,0,2]=3 2207 B11R0.81 C=CCOC(=O)COCC#CC 34a_100000761923_100000033060 [0,1,0,0,0,0|0,0,2]=3 2208 B11R0.81 C=CCOC(=O)COCCCBr 34a_100011217188_100000033060 [0,1,0,0,0,0|1,0,0]=2 2209 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,1,0,0,0,0|0,0,0]=1 2210 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,1,0,0,0,0|0,0,0]=1 2211 B11R0.81 C=CCOC(=O)COCCCCl 34a_100000230001_100000033060 [0,1,0,0,0,0|1,0,0]=2 2212 B11R0.81 C=CCOC(=O)COCCCF 34a_100000759539_100000033060 [0,1,0,0,0,0|1,0,0]=2 2213 B11R0.81 C=CCOC(=O)COCCCN 34a_100000182051_100000033060 [0,1,0,0,0,0|1,0,0]=2 2214 B11R0.81 C=CCOC(=O)COCCOC 34a_100000210237_100000033060 [0,1,0,0,0,0|1,0,0]=2 2215 B11R0.81 C=CCOC(=O)COCCON 34a_100000700252_100000033060 [0,1,0,0,0,0|2,0,0]=3 2216 B11R0.81 C=CCOC(=O)COCCSC 34a_100000230434_100000033060 [0,1,0,0,0,0|1,0,0]=2 2217 B11R0.81 C=CCOC(=O)COCCSC 7a_100000230434_100000033060 [0,1,0,0,0,0|1,0,0]=2 2218 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100000033060_100102629194 [0,1,0,0,0,0|0,0,2]=3 2219 B11R0.81 C=CCOC(=O)CSC/C=C/C 62a_100102629194_100000033060 [0,1,0,0,0,0|0,0,2]=3 2220 B11R0.81 C=CCOC(=O)CSCC#CC 62a_100000033060_100000748600 [0,1,0,0,0,0|0,0,2]=3 2221 B11R0.81 C=CCOC(=O)CSCC#CC 62a_100000748600_100000033060 [0,1,0,0,0,0|0,0,2]=3 2222 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000033060_100000070051 [0,1,0,0,0,0|0,0,2]=3 2223 B11R0.81 C=CCOC(=O)CSCC=CC 62a_100000070051_100000033060 [0,1,0,0,0,0|0,0,2]=3 2224 B11R0.81 C=CCOC(=O)CSCCC#N 62a_100000033060_100011215226 [0,1,0,0,0,0|1,0,1]=3 2225 B11R0.81 C=CCOC(=O)CSCCC#N 62a_100011215226_100000033060 [0,1,0,0,0,0|1,0,1]=3 2226 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,1,0,0,0,0|0,0,0]=1 2227 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,1,0,0,0,0|0,0,0]=1 2228 B11R0.81 C=CCOC(=O)CSCCCF 62a_100000033060_100011934791 [0,1,0,0,0,0|1,0,0]=2 2229 B11R0.81 C=CCOC(=O)CSCCCF 62a_100011934791_100000033060 [0,1,0,0,0,0|1,0,0]=2 2230 B11R0.81 C=CCOC(=O)CSCCCO 62a_100000033060_100011215043 [0,1,0,0,0,0|1,0,0]=2 2231 B11R0.81 C=CCOC(=O)CSCCCO 62a_100011215043_100000033060 [0,1,0,0,0,0|1,0,0]=2 2232 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000033060_100000233755 [0,1,0,0,0,0|1,0,0]=2 2233 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000233755_100000033060 [0,1,0,0,0,0|1,0,0]=2 2234 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000033060_100000751147 [0,1,0,0,0,0|1,0,0]=2 2235 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000212216_100000033060 [0,1,0,0,0,0|1,0,0]=2 2236 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000033060_100000739092 [0,1,0,0,0,0|1,0,0]=2 2237 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000739092_100000033060 [0,1,0,0,0,0|1,0,0]=2 2238 B11R0.81 C=CCOC(=O)CSCSC#N 62a_100000033060_100000211825 [0,1,0,0,0,0|2,0,1]=4 2239 B11R0.81 C=CCOC(=O)CSCSC#N 62a_100000211825_100000033060 [0,1,0,0,0,0|2,0,1]=4 2240 B11R0.81 C=CCOC(C)CCCCCC 34a_100000210265_100015514636 [0,1,0,0,0,0|1,0,1]=3 2241 B11R0.81 C=CCOC(C)CCCCCC 34a_200000210373_100011215978 [0,1,0,0,0,0|1,0,1]=3 2242 B11R0.81 C=CCOC(C)CCCCCC 7a_100000210265_100015514636 [0,1,0,0,0,0|1,0,1]=3 2243 B11R0.81 C=CCOC(C)COCCCC 34a_100011217071_100015514636 [0,1,0,0,0,0|1,0,1]=3 2244 B11R0.81 C=CCOC(C)COCCCC 7a_100011217071_100015514636 [0,1,0,0,0,0|1,0,1]=3 2245 B11R0.81 C=CCSC(C)CCCCCC 62a_100000210623_100011215978 [0,1,0,0,0,0|1,1,1]=4 2246 B11R0.81 C=CCSC(C)CCCCCC 62a_100011215978_100000210623 [0,1,0,0,0,0|1,1,1]=4 2247 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,2]=4 2248 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,2]=4 2249 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,1,0,0,0,0|1,0,2]=4 2250 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,1,0,0,0,0|1,0,2]=4 2251 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,1,0,0,0,0|1,0,2]=4 2252 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,1,0,0,0,0|1,0,2]=4 2253 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,1,0,0,0,0|1,0,2]=4 2254 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,1,0,0,0,0|1,0,2]=4 2255 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,1,0,0,0,0|1,0,2]=4 2256 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,1,0,0,0,0|1,0,2]=4 2257 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,1,0,0,0,0|1,0,2]=4 2258 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 2259 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 2260 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 2261 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 2262 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,1,0,0,0,0|2,0,1]=4 2263 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|1,0,2]=4 2264 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|1,0,2]=4 2265 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|1,0,2]=4 2266 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|1,0,2]=4 2267 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,0,0,0,0|1,0,2]=4 2268 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,0,0,0,0|1,0,2]=4 2269 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|2,0,1]=4 2270 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|2,0,1]=4 2271 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,2]=4 2272 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,2]=4 2273 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|2,0,1]=4 2274 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|2,0,1]=4 2275 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|2,0,1]=4 2276 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|2,0,1]=4 2277 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|2,0,1]=4 2278 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|2,0,1]=4 2279 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 2280 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 2281 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,0,0,0,0|1,0,2]=4 2282 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,0,0,0,0|1,0,2]=4 2283 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,0,0,0,0|1,0,2]=4 2284 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,0,0,0,0|1,0,2]=4 2285 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 2286 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 2287 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 2288 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,0,0,0,0|2,0,1]=4 2289 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|2,0,1]=4 2290 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|2,0,1]=4 2291 B11R0.81 CCCCCCC(C)OCC=O 34a_100000210265_200009817547 [0,1,0,0,0,0|2,0,1]=4 2292 B11R0.81 CCCCCCC(C)OCC=O 7a_100000210265_200015260668 [0,1,0,0,0,0|2,0,1]=4 2293 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 2294 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 2295 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 2296 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 2297 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,0,0,0,0|1,0,2]=4 2298 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,0,0,0,0|1,0,2]=4 2299 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,0,0,0,0|1,0,2]=4 2300 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,0,0,0,0|1,0,2]=4 2301 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,1,0,0,0,0|2,0,1]=4 2302 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,1,0,0,0,0|2,0,1]=4 2303 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,1,0,0,0,0|2,0,1]=4 2304 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,1,0,0,0,0|2,0,1]=4 2305 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,1,0,0,0,0|2,0,1]=4 2306 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,1,0,0,0,0|2,0,1]=4 2307 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,1,0,0,0,0|2,0,1]=4 2308 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,1,0,0,0,0|2,0,1]=4 2309 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 2310 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 2311 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 2312 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 2313 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 2314 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,1,0,0,0,0|1,0,2]=4 2315 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,1,0,0,0,0|1,0,2]=4 2316 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,1,0,0,0,0|1,0,2]=4 2317 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,1,0,0,0,0|1,0,2]=4 2318 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,1,0,0,0,0|1,0,2]=4 2319 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,1,0,0,0,0|1,0,2]=4 2320 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,1,0,0,0,0|2,0,1]=4 2321 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,1,0,0,0,0|2,0,1]=4 2322 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,1,0,0,0,0|2,0,1]=4 2323 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,1,0,0,0,0|2,0,1]=4 2324 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 2325 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 2326 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,1]=4 2327 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,1]=4 2328 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,1,0,0,0,0|2,0,1]=4 2329 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,1,0,0,0,0|2,0,1]=4 2330 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,1,0,0,0,0|1,0,2]=4 2331 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,1,0,0,0,0|1,0,2]=4 2332 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,1,0,0,0,0|1,0,2]=4 2333 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,1,0,0,0,0|2,0,1]=4 2334 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,1,0,0,0,0|0,0,2]=3 2335 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,1,0,0,0,0|0,0,2]=3 2336 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,1,0,0,0,0|2,0,1]=4 2337 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,1,0,0,0,0|2,0,1]=4 2338 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,0,0,0,0|1,0,2]=4 2339 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,0,0,0,0|1,0,2]=4 2340 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,0,0,0,0|2,0,1]=4 2341 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,0,0,0,0|2,0,1]=4 2342 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,1,0,0,0,0|2,0,1]=4 2343 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 2347 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 2348 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,1,0,0,0,0|2,0,1]=4 2349 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,1,0,0,0,0|1,0,2]=4 2350 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,1,0,0,0,0|1,0,2]=4 2351 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,1,0,0,0,0|1,0,2]=4 2352 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,1,0,0,0,0|1,0,2]=4 2353 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,1,0,0,0,0|1,0,2]=4 2354 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,1,0,0,0,0|1,0,2]=4 2355 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,1,0,0,0,0|2,0,1]=4 2356 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,1,0,0,0,0|2,0,1]=4 2357 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,1,0,0,0,0|2,0,1]=4 2358 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,1,0,0,0,0|2,0,1]=4 2359 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,1,0,0,0,0|2,0,1]=4 2360 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,1,0,0,0,0|2,0,1]=4 2361 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,1,0,0,0,0|0,0,2]=3 2362 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,1,0,0,0,0|0,0,2]=3 2363 B11R0.81 CCCCOCC(C)OCC=O 34a_100011217071_200009817547 [0,1,0,0,0,0|2,0,1]=4 2364 B11R0.81 CCCCOCC(C)OCC=O 7a_100011217071_200015260668 [0,1,0,0,0,0|2,0,1]=4 2365 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,1,0,0,0,0|2,0,1]=4 2366 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,0,0,0,0|1,0,2]=4 2367 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,0,0,0,0|2,0,1]=4 2369 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,1,0,0,0,0|2,0,1]=4 2370 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,1,0,0,0,0|2,0,1]=4 2371 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 2372 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 2373 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,1,0,0,0,0|2,0,1]=4 2374 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,1,0,0,0,0|2,0,1]=4 2375 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,1,0,0,0,0|1,0,2]=4 2376 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,1,0,0,0,0|1,0,2]=4 2377 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,1,0,0,0,0|1,0,2]=4 2378 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,1,0,0,0,0|1,0,2]=4 2379 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,1,0,0,0,0|1,0,2]=4 2380 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,1,0,0,0,0|1,0,2]=4 2381 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,1,0,0,0,0|2,0,1]=4 2382 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,1,0,0,0,0|2,0,1]=4 2383 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,1,0,0,0,0|2,0,1]=4 2384 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,1,0,0,0,0|2,0,1]=4 2385 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,1,0,0,0,0|2,0,1]=4 2386 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,1,0,0,0,0|2,0,1]=4 2387 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,1,0,0,0,0|0,0,2]=3 2388 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,1,0,0,0,0|0,0,2]=3 2389 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,0,0,0,0|1,0,2]=4 2390 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,1,0,0,0,0|1,0,2]=4 2391 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,1,0,0,0,0|1,0,2]=4 2392 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,1,0,0,0,0|1,0,2]=4 2393 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,1,0,0,0,0|1,0,2]=4 2394 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,1,0,0,0,0|1,0,2]=4 2395 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,1,0,0,0,0|1,0,2]=4 2396 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,1,0,0,0,0|1,0,2]=4 2397 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,1,0,0,0,0|1,0,2]=4 2398 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,1,0,0,0,0|1,0,2]=4 2399 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,1,0,0,0,0|1,0,2]=4 2400 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,1,0,0,0,0|1,0,2]=4 2401 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,1,0,0,0,0|1,0,2]=4 2402 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,1,0,0,0,0|1,0,2]=4 2403 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,1,0,0,0,0|1,0,2]=4 2404 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,1,0,0,0,0|1,0,2]=4 2405 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,1,0,0,0,0|1,0,2]=4 2406 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,1,0,0,0,0|1,0,2]=4 2407 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,1,0,0,0,0|1,0,2]=4 2408 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,1,0,0,0,0|1,0,2]=4 2409 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,1,0,0,0,0|1,0,2]=4 2410 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,1,0,0,0,0|1,0,2]=4 2411 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,1,0,0,0,0|1,0,2]=4 2412 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,1,0,0,0,0|1,0,2]=4 2413 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,1,0,0,0,0|1,0,2]=4 2414 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,1,0,0,0,0|1,0,2]=4 2415 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,1,0,0,0,0|2,0,1]=4 2416 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,1,0,0,0,0|2,0,1]=4 2417 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,1,0,0,0,0|2,0,1]=4 2418 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,1,0,0,0,0|1,0,2]=4 2419 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,1,0,0,0,0|2,0,1]=4 2420 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,1,0,0,0,0|2,0,1]=4 2421 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,1,0,0,0,0|2,0,1]=4 2422 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,0,0,0,0|2,0,1]=4 2423 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,0,0,0,0|2,0,1]=4 2424 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,0,0,0,0|2,0,1]=4 2425 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,1,0,0,0,0|2,0,1]=4 2426 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,1,0,0,0,0|2,0,1]=4 2427 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,1,0,0,0,0|2,0,1]=4 2428 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,0,0,0,0|2,0,1]=4 2429 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,0,0,0,0|2,0,1]=4 2430 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,0,0,0,0|2,0,1]=4 2431 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,1,0,0,0,0|2,0,1]=4 2432 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,1,0,0,0,0|2,0,1]=4 2433 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,1,0,0,0,0|2,0,1]=4 2434 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,1,0,0,0,0|2,0,1]=4 2435 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,1,0,0,0,0|2,0,1]=4 2436 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,0,0,0,0|2,0,1]=4 2437 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,0,0,0,0|2,0,1]=4 2438 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000690238_100000757094 [0,1,0,0,0,0|1,0,2]=4 2439 B11R0.140 C#CCCCC(=O)CCCC=C 1458a_100000766728_100000731252 [0,1,0,0,0,0|1,0,2]=4 2440 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,1,0,0,0,0|1,0,2]=4 2441 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,1,0,0,0,0|1,0,2]=4 2442 B11R0.140 C#CCCCC(=O)CCOC=C 1458a_100000690238_100000039644 [0,1,0,0,0,0|1,0,2]=4 2443 B11R0.140 C#CCCCC(=O)CSCC=C 1458a_100000230395_100000731252 [0,1,0,0,0,0|0,1,2]=4 2444 B11R0.140 C#CCCCC(=O)NCCC=C 11a_100015191253_100000690238 [0,1,0,0,0,0|1,0,2]=4 2445 B11R0.140 C#CCCCC(=O)NCCC=C 1626a_100015191253_100000690238 [0,1,0,0,0,0|1,0,2]=4 2446 B11R0.140 C#CCCCC(=O)NCCC=C 240690a_100015191253_100000690238 [0,1,0,0,0,0|1,0,2]=4 2447 B11R0.140 C#CCCCC(=O)NCCC=C 527a_100015191253_100000690238 [0,1,0,0,0,0|1,0,2]=4 2448 B11R0.140 C#CCCCC(=O)NNCC=C 22a_100020588587_100000690238 [0,1,0,0,0,0|1,0,2]=4 2449 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,1,0,0,0,0|1,0,2]=4 2450 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,1,0,0,0,0|1,0,2]=4 2451 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,1,0,0,0,0|1,0,2]=4 2452 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,1,0,0,0,0|1,0,2]=4 2453 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [0,1,0,0,0,0|1,0,2]=4 2454 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [0,1,0,0,0,0|0,0,2]=3 2455 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [0,1,0,0,0,0|0,0,2]=3 2456 B11R0.140 C#CCOCC(=O)CCCCF 1458a_100011251226_100000729493 [0,1,0,0,0,0|1,0,2]=4 2457 B11R0.140 C#CCOCC(=O)CCCCO 1458a_100011251226_100000210776 [0,1,0,0,0,0|1,0,2]=4 2458 B11R0.140 C#CCOCC(=O)CCCOC 1458a_100011251226_100000740836 [0,1,0,0,0,0|1,0,2]=4 2459 B11R0.140 C#CCOCC(=O)CCOCC 1458a_100011251226_100011215890 [0,1,0,0,0,0|1,0,2]=4 2460 B11R0.140 C#CCOCC(=O)CCSCC 1458a_100011251226_100000757381 [0,1,0,0,0,0|1,0,2]=4 2461 B11R0.140 C#CCOCC(=O)NCCCC 11a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 2462 B11R0.140 C#CCOCC(=O)NCCCC 1626a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 2463 B11R0.140 C#CCOCC(=O)NCCCC 34a_100000210247_100000182744 [0,1,0,0,0,0|1,0,2]=4 2464 B11R0.140 C#CCOCC(=O)NCCCC 527a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 2465 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [0,1,0,0,0,0|1,0,2]=4 2466 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [0,1,0,0,0,0|0,1,2]=4 2467 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,0,0,0,0|1,0,1]=3 2468 B11R0.140 C/C=C/C=CC(=O)CCCCF 1458a_100000185730_100000729493 [0,1,0,0,0,0|2,0,1]=4 2469 B11R0.140 C/C=C/C=CC(=O)CCCCO 1458a_100000185730_100000210776 [0,1,0,0,0,0|2,0,1]=4 2470 B11R0.140 C/C=C/C=CC(=O)CCCOC 1458a_100000185730_100000740836 [0,1,0,0,0,0|2,0,1]=4 2471 B11R0.140 C/C=C/C=CC(=O)CCOCC 1458a_100000185730_100011215890 [0,1,0,0,0,0|2,0,1]=4 2472 B11R0.140 C/C=C/C=CC(=O)CCSCC 1458a_100000185730_100000757381 [0,1,0,0,0,0|2,0,1]=4 2473 B11R0.140 C/C=C/C=CC(=O)NCCCC 11a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 2474 B11R0.140 C/C=C/C=CC(=O)NCCCC 1626a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 2475 B11R0.140 C/C=C/C=CC(=O)NCCCC 240690a_100000102301_100000185730 [0,1,0,0,0,0|2,0,1]=4 2476 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,1,0,0,0,0|1,0,1]=3 2477 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,1,0,0,0,0|1,0,1]=3 2478 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,1,0,0,0,0|1,0,1]=3 2479 B11R0.140 C/C=C/COC(C)CCCOC 34a_200011539412_100102629194 [0,1,0,0,0,0|2,0,1]=4 2480 B11R0.140 C/C=C/COC(C)CCCOC 7a_200011539412_100102629194 [0,1,0,0,0,0|2,0,1]=4 2481 B11R0.140 C/C=C/CSC(C)CCCCC 62a_100102629194_200011218191 [0,1,0,0,0,0|1,1,1]=4 2482 B11R0.140 C/C=C/CSC(C)CCCCC 62a_200011218191_100102629194 [0,1,0,0,0,0|1,1,1]=4 2483 B11R0.140 C=CCCCC(=O)C#CCCC 1458a_200011218047_100000757094 [0,1,0,0,0,0|1,0,2]=4 2484 B11R0.140 C=CCCCC(=O)C/C=C/CC 1458a_100016274230_100000757094 [0,1,0,0,0,0|1,0,2]=4 2485 B11R0.140 C=CCCCC(=O)C/C=C\CC 1458a_100000766728_100103147603 [0,1,0,0,0,0|1,0,2]=4 2486 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [0,1,0,0,0,0|1,0,2]=4 2487 B11R0.140 C=CCCCC(=O)CC#CCC 1458a_100000766728_100009813939 [0,1,0,0,0,0|1,0,2]=4 2488 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000075515_100000757094 [0,1,0,0,0,0|2,0,1]=4 2489 B11R0.140 C=CCCCC(=O)CCCC#N 1458a_100000766728_100000211468 [0,1,0,0,0,0|2,0,1]=4 2490 B11R0.140 C=CCCCC(=O)CCCC=C 1458a_100000766728_100000757094 [0,1,0,0,0,0|1,0,2]=4 2491 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,1,0,0,0,0|1,0,0]=2 2492 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,1,0,0,0,0|1,0,0]=2 2493 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,1,0,0,0,0|2,0,0]=3 2494 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,1,0,0,0,0|2,0,0]=3 2495 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,1,0,0,0,0|2,0,0]=3 2496 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,1,0,0,0,0|2,0,0]=3 2497 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,1,0,0,0,0|2,0,0]=3 2498 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,1,0,0,0,0|2,0,0]=3 2499 B11R0.140 C=CCCCC(=O)CCOC=C 1458a_100000766728_100000039644 [0,1,0,0,0,0|1,0,2]=4 2500 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,1,0,0,0,0|2,0,0]=3 2501 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,1,0,0,0,0|2,0,0]=3 2502 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,1,0,0,0,0|2,0,0]=3 2503 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,1,0,0,0,0|2,0,0]=3 2504 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,1,0,0,0,0|2,0,0]=3 2505 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [0,1,0,0,0,0|3,0,0]=4 2506 B11R0.140 C=CCCCC(=O)CSCC=C 1458a_100000230395_100000757094 [0,1,0,0,0,0|0,1,2]=4 2507 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,1,0,0,0,0|2,0,0]=3 2508 B11R0.140 C=CCCCC(=O)NCCC=C 11a_100015191253_100000766728 [0,1,0,0,0,0|1,0,2]=4 2509 B11R0.140 C=CCCCC(=O)NCCC=C 1626a_100015191253_100000766728 [0,1,0,0,0,0|1,0,2]=4 2510 B11R0.140 C=CCCCC(=O)NCCC=C 240690a_100015191253_100000766728 [0,1,0,0,0,0|1,0,2]=4 2511 B11R0.140 C=CCCCC(=O)NCCC=C 527a_100015191253_100000766728 [0,1,0,0,0,0|1,0,2]=4 2512 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,1,0,0,0,0|2,0,0]=3 2513 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,1,0,0,0,0|2,0,0]=3 2514 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,1,0,0,0,0|2,0,0]=3 2515 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,1,0,0,0,0|2,0,0]=3 2516 B11R0.140 C=CCCCC(=O)NCCCF 11a_100015189416_100000766728 [0,1,0,0,0,0|3,0,0]=4 2517 B11R0.140 C=CCCCC(=O)NCCCF 1626a_100015189416_100000766728 [0,1,0,0,0,0|3,0,0]=4 2518 B11R0.140 C=CCCCC(=O)NCCCF 240690a_100015189416_100000766728 [0,1,0,0,0,0|3,0,0]=4 2519 B11R0.140 C=CCCCC(=O)NCCCF 527a_100015189416_100000766728 [0,1,0,0,0,0|3,0,0]=4 2520 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [0,1,0,0,0,0|3,0,0]=4 2521 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [0,1,0,0,0,0|3,0,0]=4 2522 B11R0.140 C=CCCCC(=O)NCCOC 1626a_100000209980_100000766728 [0,1,0,0,0,0|3,0,0]=4 2523 B11R0.140 C=CCCCC(=O)NCCOC 240690a_100000209980_100000766728 [0,1,0,0,0,0|3,0,0]=4 2524 B11R0.140 C=CCCCC(=O)NCCOC 527a_100000209980_100000766728 [0,1,0,0,0,0|3,0,0]=4 2525 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [0,1,0,0,0,0|3,0,0]=4 2526 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [0,1,0,0,0,0|3,0,0]=4 2527 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [0,1,0,0,0,0|3,0,0]=4 2528 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [0,1,0,0,0,0|3,0,0]=4 2529 B11R0.140 C=CCCCC(=O)NNCC=C 22a_100020588587_100000766728 [0,1,0,0,0,0|1,0,2]=4 2530 B11R0.140 C=CCCCC(=O)NNCCC 22a_100000740057_100000766728 [0,1,0,0,0,0|3,0,0]=4 2531 B11R0.140 C=CCCCN(C)CCCCC 2230a_100000223495_100011713584 [0,1,0,0,0,0|3,0,0]=4 2532 B11R0.140 C=CCCCN(C)CCCCC 269982a_100000223495_100000757094 [0,1,0,0,0,0|3,0,0]=4 2533 B11R0.140 C=CCCNC(=O)C#CCCC 240690a_100015191253_200011218047 [0,1,0,0,0,0|1,0,2]=4 2534 B11R0.140 C=CCCNC(=O)C/C=C/CC 11a_100015191253_100016274230 [0,1,0,0,0,0|1,0,2]=4 2535 B11R0.140 C=CCCNC(=O)C/C=C/CC 1626a_100015191253_100016274230 [0,1,0,0,0,0|1,0,2]=4 2536 B11R0.140 C=CCCNC(=O)C/C=C/CC 240690a_100015191253_100016274230 [0,1,0,0,0,0|1,0,2]=4 2537 B11R0.140 C=CCCNC(=O)C/C=C/CC 527a_100015191253_100016274230 [0,1,0,0,0,0|1,0,2]=4 2538 B11R0.140 C=CCCNC(=O)C=CCCC 11a_100015191253_100000212230 [0,1,0,0,0,0|1,0,2]=4 2539 B11R0.140 C=CCCNC(=O)C=CCCC 1626a_100015191253_100000212230 [0,1,0,0,0,0|1,0,2]=4 2540 B11R0.140 C=CCCNC(=O)C=CCCC 240690a_100015191253_100000212230 [0,1,0,0,0,0|1,0,2]=4 2541 B11R0.140 C=CCCNC(=O)CCCC#N 11a_100015191253_100000075515 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.140 C=CCCNC(=O)CCCC#N 1626a_100015191253_100000075515 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.140 C=CCCNC(=O)CCCC#N 240690a_100015191253_100000075515 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.140 C=CCCNC(=O)CCCC#N 527a_100015191253_100000075515 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,1,0,0,0,0|1,0,0]=2 2546 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,1,0,0,0,0|1,0,0]=2 2547 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,1,0,0,0,0|1,0,0]=2 2548 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,1,0,0,0,0|1,0,0]=2 2549 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [0,1,0,0,0,0|2,0,0]=3 2550 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [0,1,0,0,0,0|2,0,0]=3 2551 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [0,1,0,0,0,0|2,0,0]=3 2552 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [0,1,0,0,0,0|2,0,0]=3 2553 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [0,1,0,0,0,0|2,0,0]=3 2554 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [0,1,0,0,0,0|2,0,0]=3 2555 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [0,1,0,0,0,0|2,0,0]=3 2556 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [0,1,0,0,0,0|2,0,0]=3 2557 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [0,1,0,0,0,0|2,0,0]=3 2558 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [0,1,0,0,0,0|2,0,0]=3 2559 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [0,1,0,0,0,0|2,0,0]=3 2560 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [0,1,0,0,0,0|2,0,0]=3 2561 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [0,1,0,0,0,0|2,0,0]=3 2562 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [0,1,0,0,0,0|2,0,0]=3 2563 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [0,1,0,0,0,0|2,0,0]=3 2564 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [0,1,0,0,0,0|2,0,0]=3 2565 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [0,1,0,0,0,0|2,0,0]=3 2566 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [0,1,0,0,0,0|2,0,0]=3 2567 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [0,1,0,0,0,0|2,0,0]=3 2568 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [0,1,0,0,0,0|2,0,0]=3 2569 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [0,1,0,0,0,0|2,0,0]=3 2570 B11R0.140 C=CCCNC(=O)COCCO 1626a_100015191253_100000708028 [0,1,0,0,0,0|3,0,0]=4 2571 B11R0.140 C=CCCNC(=O)COCCO 240690a_100015191253_100000708028 [0,1,0,0,0,0|3,0,0]=4 2572 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [0,1,0,0,0,0|2,0,0]=3 2573 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [0,1,0,0,0,0|2,0,0]=3 2574 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [0,1,0,0,0,0|2,0,0]=3 2575 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [0,1,0,0,0,0|2,0,0]=3 2576 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,1,0,0,0,0|2,0,0]=3 2577 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,1,0,0,0,0|2,0,0]=3 2578 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,1,0,0,0,0|2,0,0]=3 2579 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,1,0,0,0,0|2,0,0]=3 2580 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,1,0,0,0,0|2,0,0]=3 2581 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,1,0,0,0,0|2,0,0]=3 2582 B11R0.140 C=CCCNC(=O)NCCCF 2708a_100015189416_100015191253 [0,1,0,0,0,0|3,0,0]=4 2583 B11R0.140 C=CCCNC(=O)NCCCF 2708a_100015191253_100015189416 [0,1,0,0,0,0|3,0,0]=4 2584 B11R0.140 C=CCCNC(=O)NCCCF 273464a_100015189416_100015191253 [0,1,0,0,0,0|3,0,0]=4 2585 B11R0.140 C=CCCNC(=O)NCCCF 273464a_100015191253_100015189416 [0,1,0,0,0,0|3,0,0]=4 2586 B11R0.140 C=CCCNC(=O)NCCCF 512a_100015189416_100015191253 [0,1,0,0,0,0|3,0,0]=4 2587 B11R0.140 C=CCCNC(=O)NCCCF 512a_100015191253_100015189416 [0,1,0,0,0,0|3,0,0]=4 2588 B11R0.140 C=CCCNC(=O)NCCCO 2708a_100015191253_100000182051 [0,1,0,0,0,0|3,0,0]=4 2589 B11R0.140 C=CCCNC(=O)NCCCO 273464a_100000182051_100015191253 [0,1,0,0,0,0|3,0,0]=4 2590 B11R0.140 C=CCCNC(=O)NCCCO 273464a_100015191253_100000182051 [0,1,0,0,0,0|3,0,0]=4 2591 B11R0.140 C=CCCNC(=O)NCCCO 512a_100015191253_100000182051 [0,1,0,0,0,0|3,0,0]=4 2592 B11R0.140 C=CCCNC(=O)NCCOC 2708a_100015191253_100000209980 [0,1,0,0,0,0|3,0,0]=4 2593 B11R0.140 C=CCCNC(=O)NCCOC 273464a_100000209980_100015191253 [0,1,0,0,0,0|3,0,0]=4 2594 B11R0.140 C=CCCNC(=O)NCCOC 273464a_100015191253_100000209980 [0,1,0,0,0,0|3,0,0]=4 2595 B11R0.140 C=CCCNC(=O)NCCSC 2708a_100015191253_100020590264 [0,1,0,0,0,0|3,0,0]=4 2596 B11R0.140 C=CCCNC(=O)NCCSC 2708a_100020590264_100015191253 [0,1,0,0,0,0|3,0,0]=4 2597 B11R0.140 C=CCCNC(=O)NCCSC 273464a_100015191253_100020590264 [0,1,0,0,0,0|3,0,0]=4 2598 B11R0.140 C=CCCNC(=O)NCCSC 273464a_100020590264_100015191253 [0,1,0,0,0,0|3,0,0]=4 2599 B11R0.140 C=CCCNC(=O)NCCSC 512a_100015191253_100020590264 [0,1,0,0,0,0|3,0,0]=4 2600 B11R0.140 C=CCCNC(=O)NCCSC 512a_100020590264_100015191253 [0,1,0,0,0,0|3,0,0]=4 2601 B11R0.140 C=CCCNC(=O)NNCCC 273464a_100015191253_100000740057 [0,1,0,0,0,0|3,0,0]=4 2602 B11R0.140 C=CCCNC(=O)NNCCC 512a_100000740057_100015191253 [0,1,0,0,0,0|3,0,0]=4 2603 B11R0.140 C=CCCNC(=O)NNCCC 512a_100015191253_100000740057 [0,1,0,0,0,0|3,0,0]=4 2604 B11R0.140 C=CCCNC(C)CCCCC 2230a_100000211957_100000754431 [0,1,0,0,0,0|2,0,1]=4 2605 B11R0.140 C=CCCNC(C)CCCCC 2230a_100015191253_200011218191 [0,1,0,0,0,0|2,0,1]=4 2606 B11R0.140 C=CCCNC(C)CCCCC 270004a_100015191253_100000211708 [0,1,0,0,0,0|2,0,1]=4 2607 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,1,0,0,0,0|1,0,1]=3 2608 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,1,0,0,0,0|1,0,1]=3 2609 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,1,0,0,0,0|1,0,1]=3 2610 B11R0.140 C=CCCOC(C)CCCOC 34a_200011539412_100000754431 [0,1,0,0,0,0|2,0,1]=4 2611 B11R0.140 C=CCCOC(C)CCCOC 7a_200011539412_100000754431 [0,1,0,0,0,0|2,0,1]=4 2612 B11R0.140 C=CCCSC(C)CCCCC 62a_100000754431_200011218191 [0,1,0,0,0,0|1,1,1]=4 2613 B11R0.140 C=CCCSC(C)CCCCC 62a_200011218191_100000754431 [0,1,0,0,0,0|1,1,1]=4 2614 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,1,0,0,0,0|1,0,0]=2 2615 B11R0.140 C=CCNCC(=O)NCCCC 2230a_100020586998_100000182744 [0,1,0,0,0,0|2,0,0]=3 2616 B11R0.140 C=CCNCC(=O)NCCOC 2230a_100000754632_100000210623 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.140 C=CCNCC(=O)NCCOC 2230a_100020586998_100000183275 [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [0,1,0,0,0,0|2,0,0]=3 2619 B11R0.140 C=CCNCC(=O)OCCOC 2230a_100020586998_200000040189 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.140 C=CCNNC(=O)C#CCCC 22a_100020588587_200011218047 [0,1,0,0,0,0|1,0,2]=4 2621 B11R0.140 C=CCNNC(=O)C/C=C/CC 22a_100020588587_100016274230 [0,1,0,0,0,0|1,0,2]=4 2622 B11R0.140 C=CCNNC(=O)C=CCCC 22a_100020588587_100000212230 [0,1,0,0,0,0|1,0,2]=4 2623 B11R0.140 C=CCNNC(=O)CCCC#N 22a_100020588587_100000075515 [0,1,0,0,0,0|2,0,1]=4 2624 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [0,1,0,0,0,0|1,0,0]=2 2625 B11R0.140 C=CCNNC(=O)CCCOC 22a_100020588587_100000741012 [0,1,0,0,0,0|2,0,0]=3 2626 B11R0.140 C=CCNNC(=O)CCCSC 22a_100020588587_100000173376 [0,1,0,0,0,0|2,0,0]=3 2627 B11R0.140 C=CCNNC(=O)CCOCC 22a_100020588587_100000749530 [0,1,0,0,0,0|2,0,0]=3 2628 B11R0.140 C=CCNNC(=O)CCSCC 22a_100020588587_100000230768 [0,1,0,0,0,0|2,0,0]=3 2629 B11R0.140 C=CCNNC(=O)COCCC 22a_100020588587_100000745993 [0,1,0,0,0,0|2,0,0]=3 2630 B11R0.140 C=CCNNC(=O)CSCCC 22a_100020588587_100000217233 [0,1,0,0,0,0|2,0,0]=3 2631 B11R0.140 C=CCNNC(=O)NCCCC 273464a_100000102301_100020588587 [0,1,0,0,0,0|2,0,0]=3 2632 B11R0.140 C=CCNNC(=O)NCCCC 512a_100000102301_100020588587 [0,1,0,0,0,0|2,0,0]=3 2633 B11R0.140 C=CCNNC(=O)NCCCC 512a_100020588587_100000102301 [0,1,0,0,0,0|2,0,0]=3 2634 B11R0.140 C=CCNNC(=O)NCCCF 273464a_100015189416_100020588587 [0,1,0,0,0,0|3,0,0]=4 2635 B11R0.140 C=CCNNC(=O)NCCCF 512a_100015189416_100020588587 [0,1,0,0,0,0|3,0,0]=4 2636 B11R0.140 C=CCNNC(=O)NCCCF 512a_100020588587_100015189416 [0,1,0,0,0,0|3,0,0]=4 2637 B11R0.140 C=CCNNC(=O)NCCCO 273464a_100000182051_100020588587 [0,1,0,0,0,0|3,0,0]=4 2638 B11R0.140 C=CCNNC(=O)NCCCO 512a_100020588587_100000182051 [0,1,0,0,0,0|3,0,0]=4 2639 B11R0.140 C=CCNNC(=O)NCCOC 273464a_100000209980_100020588587 [0,1,0,0,0,0|3,0,0]=4 2640 B11R0.140 C=CCNNC(=O)NCCSC 273464a_100020590264_100020588587 [0,1,0,0,0,0|3,0,0]=4 2641 B11R0.140 C=CCNNC(=O)NCCSC 512a_100020588587_100020590264 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.140 C=CCNNC(=O)NCCSC 512a_100020590264_100020588587 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.140 C=CCNNC(=O)NNCCC 512a_100000740057_100020588587 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.140 C=CCNNC(=O)NNCCC 512a_100020588587_100000740057 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,1,0,0,0,0|0,0,0]=1 2646 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,1,0,0,0,0|1,0,0]=2 2647 B11R0.140 C=CCOCC(=O)NCCOC 34a_200000210373_100000183275 [0,1,0,0,0,0|2,0,0]=3 2648 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,1,0,0,0,0|1,0,0]=2 2649 B11R0.140 C=CCOCC(=O)OCCOC 34a_200000210373_200000040189 [0,1,0,0,0,0|2,0,0]=3 2650 B11R0.140 C=CCOC[C@@H](N)CCCCN 34a_100016993712_100015514636 [0,1,0,0,0,0|2,0,1]=4 2651 B11R0.140 C=CCSCC(=O)C/C=C\CC 1458a_100000230395_100103147603 [0,1,0,0,0,0|0,1,2]=4 2652 B11R0.140 C=CCSCC(=O)CC#CCC 1458a_100000230395_100009813939 [0,1,0,0,0,0|0,1,2]=4 2653 B11R0.140 C=CCSCC(=O)CCCC#N 1458a_100000230395_100000211468 [0,1,0,0,0,0|1,1,1]=4 2654 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,1,0,0,0,0|0,1,0]=2 2655 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,1,0,0,0,0|0,1,0]=2 2656 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,1,0,0,0,0|0,1,0]=2 2657 B11R0.140 C=CCSCC(=O)CCCCF 1458a_100000230395_100000729493 [0,1,0,0,0,0|1,1,0]=3 2658 B11R0.140 C=CCSCC(=O)CCCCO 1458a_100000230395_100000210776 [0,1,0,0,0,0|1,1,0]=3 2659 B11R0.140 C=CCSCC(=O)CCCOC 1458a_100000230395_100000740836 [0,1,0,0,0,0|1,1,0]=3 2660 B11R0.140 C=CCSCC(=O)CCOCC 1458a_100000230395_100011215890 [0,1,0,0,0,0|1,1,0]=3 2661 B11R0.140 C=CCSCC(=O)CCSCC 1458a_100000230395_100000757381 [0,1,0,0,0,0|1,1,0]=3 2662 B11R0.140 C=CCSCC(=O)NCCCC 11a_100000102301_100000230395 [0,1,0,0,0,0|1,1,0]=3 2663 B11R0.140 C=CCSCC(=O)NCCCC 1626a_100000102301_100000230395 [0,1,0,0,0,0|1,1,0]=3 2664 B11R0.140 C=CCSCC(=O)NCCCC 240690a_100000102301_100000230395 [0,1,0,0,0,0|1,1,0]=3 2665 B11R0.140 C=CCSCC(=O)NCCCC 527a_100000102301_100000230395 [0,1,0,0,0,0|1,1,0]=3 2666 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000182744_100000210623 [0,1,0,0,0,0|1,1,0]=3 2667 B11R0.140 C=CCSCC(=O)NCCCC 62a_100000210623_100000182744 [0,1,0,0,0,0|1,1,0]=3 2668 B11R0.140 C=CCSCC(=O)NCCCF 11a_100015189416_100000230395 [0,1,0,0,0,0|2,1,0]=4 2669 B11R0.140 C=CCSCC(=O)NCCCF 1626a_100015189416_100000230395 [0,1,0,0,0,0|2,1,0]=4 2670 B11R0.140 C=CCSCC(=O)NCCCF 240690a_100015189416_100000230395 [0,1,0,0,0,0|2,1,0]=4 2671 B11R0.140 C=CCSCC(=O)NCCCF 527a_100015189416_100000230395 [0,1,0,0,0,0|2,1,0]=4 2672 B11R0.140 C=CCSCC(=O)NCCCO 240690a_100000182051_100000230395 [0,1,0,0,0,0|2,1,0]=4 2673 B11R0.140 C=CCSCC(=O)NCCCO 527a_100000182051_100000230395 [0,1,0,0,0,0|2,1,0]=4 2674 B11R0.140 C=CCSCC(=O)NCCOC 1626a_100000209980_100000230395 [0,1,0,0,0,0|2,1,0]=4 2675 B11R0.140 C=CCSCC(=O)NCCOC 240690a_100000209980_100000230395 [0,1,0,0,0,0|2,1,0]=4 2676 B11R0.140 C=CCSCC(=O)NCCOC 527a_100000209980_100000230395 [0,1,0,0,0,0|2,1,0]=4 2677 B11R0.140 C=CCSCC(=O)NCCOC 62a_100000183275_100000210623 [0,1,0,0,0,0|2,1,0]=4 2678 B11R0.140 C=CCSCC(=O)NCCOC 62a_100000210623_100000183275 [0,1,0,0,0,0|2,1,0]=4 2679 B11R0.140 C=CCSCC(=O)NCCSC 11a_100020590264_100000230395 [0,1,0,0,0,0|2,1,0]=4 2680 B11R0.140 C=CCSCC(=O)NCCSC 1626a_100020590264_100000230395 [0,1,0,0,0,0|2,1,0]=4 2681 B11R0.140 C=CCSCC(=O)NCCSC 240690a_100020590264_100000230395 [0,1,0,0,0,0|2,1,0]=4 2682 B11R0.140 C=CCSCC(=O)NCCSC 527a_100020590264_100000230395 [0,1,0,0,0,0|2,1,0]=4 2683 B11R0.140 C=CCSCC(=O)NNCCC 22a_100000740057_100000230395 [0,1,0,0,0,0|2,1,0]=4 2684 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [0,1,0,0,0,0|1,1,0]=3 2685 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [0,1,0,0,0,0|1,1,0]=3 2686 B11R0.140 C=CCSCC(=O)OCCOC 62a_100000210623_200000040189 [0,1,0,0,0,0|2,1,0]=4 2687 B11R0.140 C=CCSCC(=O)OCCOC 62a_200000040189_100000210623 [0,1,0,0,0,0|2,1,0]=4 2688 B11R0.140 C=COCCC(=O)C#CCCC 1458a_200011218047_100000039644 [0,1,0,0,0,0|1,0,2]=4 2689 B11R0.140 C=COCCC(=O)C/C=C/CC 1458a_100016274230_100000039644 [0,1,0,0,0,0|1,0,2]=4 2690 B11R0.140 C=COCCC(=O)C=CCCC 1458a_100000212230_100000039644 [0,1,0,0,0,0|1,0,2]=4 2691 B11R0.140 C=COCCC(=O)CCCC#N 1458a_100000075515_100000039644 [0,1,0,0,0,0|2,0,1]=4 2692 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,1,0,0,0,0|1,0,0]=2 2693 B11R0.140 C=COCCC(=O)CCCCO 1458a_100000695505_100000039644 [0,1,0,0,0,0|2,0,0]=3 2694 B11R0.140 C=COCCC(=O)CCCOC 1458a_100000741012_100000039644 [0,1,0,0,0,0|2,0,0]=3 2695 B11R0.140 C=COCCC(=O)CCCSC 1458a_100000173376_100000039644 [0,1,0,0,0,0|2,0,0]=3 2696 B11R0.140 C=COCCC(=O)CCOCC 1458a_100000749530_100000039644 [0,1,0,0,0,0|2,0,0]=3 2697 B11R0.140 C=COCCC(=O)CCSCC 1458a_100000230768_100000039644 [0,1,0,0,0,0|2,0,0]=3 2698 B11R0.140 C=COCCC(=O)COCCC 1458a_100000745993_100000039644 [0,1,0,0,0,0|2,0,0]=3 2699 B11R0.140 C=COCCC(=O)COCCO 1458a_100000708028_100000039644 [0,1,0,0,0,0|3,0,0]=4 2700 B11R0.140 C=COCCC(=O)CSCCC 1458a_100000217233_100000039644 [0,1,0,0,0,0|2,0,0]=3 2701 B11R0.140 C=COCCN(C)CCCCC 2230a_100000223495_100000039644 [0,1,0,0,0,0|3,0,0]=4 2702 B11R0.140 C=COCCN(C)CCCCC 269982a_100000223495_100000039644 [0,1,0,0,0,0|3,0,0]=4 2703 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [0,1,0,0,0,0|1,0,2]=4 2704 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [0,1,0,0,0,0|1,0,2]=4 2705 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [0,1,0,0,0,0|1,0,2]=4 2706 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,1,0,0,0,0|1,0,2]=4 2707 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,1,0,0,0,0|1,0,2]=4 2708 B11R0.140 CC=CCNC(C)CCCCC 2230a_100000211957_100000070051 [0,1,0,0,0,0|2,0,1]=4 2709 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,1,0,0,0,0|1,0,1]=3 2710 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,1,0,0,0,0|1,0,1]=3 2711 B11R0.140 CC=CCOC(C)CCCOC 34a_200011539412_100000070051 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.140 CC=CCOC(C)CCCOC 7a_200011539412_100000070051 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.140 CC=CCSC(C)CCCCC 62a_100000070051_200011218191 [0,1,0,0,0,0|1,1,1]=4 2714 B11R0.140 CC=CCSC(C)CCCCC 62a_200011218191_100000070051 [0,1,0,0,0,0|1,1,1]=4 2715 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [0,1,0,0,0,0|2,0,1]=4 2716 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,1,0,0,0,0|1,0,2]=4 2717 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,1,0,0,0,0|1,0,2]=4 2718 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,1,0,0,0,0|2,0,1]=4 2719 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,1,0,0,0,0|1,0,2]=4 2720 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,1,0,0,0,0|1,0,2]=4 2721 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,1,0,0,0,0|1,0,2]=4 2722 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,1,0,0,0,0|1,0,2]=4 2723 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,1,0,0,0,0|1,0,2]=4 2724 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,1,0,0,0,0|1,0,2]=4 2725 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,1,0,0,0,0|1,0,2]=4 2726 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,1,0,0,0,0|1,0,2]=4 2727 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,1,0,0,0,0|1,0,2]=4 2728 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [0,1,0,0,0,0|3,0,0]=4 2729 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,1,0,0,0,0|1,0,2]=4 2730 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,1,0,0,0,0|1,0,2]=4 2731 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,1,0,0,0,0|1,0,2]=4 2732 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,1,0,0,0,0|1,0,2]=4 2733 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,1,0,0,0,0|2,0,1]=4 2734 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,1,0,0,0,0|2,0,1]=4 2735 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,1,0,0,0,0|2,0,1]=4 2736 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,1,0,0,0,0|1,0,1]=3 2737 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,1,0,0,0,0|0,0,2]=3 2738 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,1,0,0,0,0|0,0,2]=3 2739 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,1,0,0,0,0|1,0,1]=3 2740 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,1,0,0,0,0|1,0,1]=3 2741 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [0,1,0,0,0,0|1,1,1]=4 2742 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [0,1,0,0,0,0|1,1,1]=4 2743 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [0,1,0,0,0,0|1,1,1]=4 2744 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,1,0,0,0,0|1,1,0]=3 2745 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,1,0,0,0,0|1,1,0]=3 2746 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,1,0,0,0,0|0,1,2]=4 2747 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,1,0,0,0,0|0,1,2]=4 2748 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,1,0,0,0,0|0,1,2]=4 2749 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,1,0,0,0,0|1,1,1]=4 2750 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,1,0,0,0,0|1,1,1]=4 2751 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,1,0,0,0,0|1,1,1]=4 2752 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,1,0,0,0,0|1,1,1]=4 2753 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,1,0,0,0,0|1,1,1]=4 2754 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,1,0,0,0,0|1,1,1]=4 2755 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [0,1,0,0,0,0|1,1,1]=4 2756 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [0,1,0,0,0,0|1,1,1]=4 2757 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,1,0,0,0,0|1,0,2]=4 2758 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,1,0,0,0,0|1,0,2]=4 2759 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,1,0,0,0,0|1,0,2]=4 2760 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,1,0,0,0,0|1,0,2]=4 2761 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,1,0,0,0,0|1,0,2]=4 2762 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,1,0,0,0,0|1,0,2]=4 2763 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,1,0,0,0,0|1,0,2]=4 2764 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,1,0,0,0,0|1,0,2]=4 2765 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,1,0,0,0,0|1,0,2]=4 2766 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,1,0,0,0,0|1,0,2]=4 2767 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,1,0,0,0,0|1,0,2]=4 2768 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,1,0,0,0,0|1,0,2]=4 2769 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,1,0,0,0,0|1,0,2]=4 2770 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,1,0,0,0,0|1,0,2]=4 2771 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,1,0,0,0,0|1,0,2]=4 2772 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,1,0,0,0,0|1,0,2]=4 2773 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,1,0,0,0,0|1,0,2]=4 2774 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,1,0,0,0,0|1,0,2]=4 2775 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,1,0,0,0,0|1,0,2]=4 2776 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,1,0,0,0,0|1,0,2]=4 2777 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,1,0,0,0,0|1,0,2]=4 2778 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,1,0,0,0,0|1,0,2]=4 2779 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,1,0,0,0,0|2,0,1]=4 2780 B11R0.140 CCCCNC(=O)COCCBr 34a_100000211926_100000182744 [0,1,0,0,0,0|2,0,1]=4 2781 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [0,1,0,0,0,0|1,0,2]=4 2782 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [0,1,0,0,0,0|1,0,2]=4 2783 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [0,1,0,0,0,0|1,0,2]=4 2784 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [0,1,0,0,0,0|1,0,2]=4 2785 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [0,1,0,0,0,0|1,0,2]=4 2786 B11R0.140 CCCCNC(=O)COCCN 34a_100000210304_100000182744 [0,1,0,0,0,0|2,0,1]=4 2787 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,1,0,0,0,0|2,0,1]=4 2788 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,1,0,0,0,0|2,0,1]=4 2789 B11R0.140 CCCCNC(=O)CSCC=O 62a_100000182744_200015260668 [0,1,0,0,0,0|2,1,0]=4 2790 B11R0.140 CCCCNC(=O)CSCC=O 62a_200015260668_100000182744 [0,1,0,0,0,0|2,1,0]=4 2791 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [0,1,0,0,0,0|2,0,1]=4 2792 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,1,0,0,0,0|1,0,2]=4 2793 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [0,1,0,0,0,0|2,0,1]=4 2794 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,1,0,0,0,0|2,1,0]=4 2795 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,1,0,0,0,0|2,1,0]=4 2796 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,1,0,0,0,0|1,0,2]=4 2797 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,1,0,0,0,0|1,0,2]=4 2798 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,1,0,0,0,0|1,0,2]=4 2799 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,1,0,0,0,0|1,0,2]=4 2800 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,1,0,0,0,0|1,0,2]=4 2801 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,1,0,0,0,0|1,0,2]=4 2802 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,1,0,0,0,0|1,0,2]=4 2803 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,1,0,0,0,0|1,0,2]=4 2804 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,1,0,0,0,0|1,0,2]=4 2805 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,1,0,0,0,0|1,0,2]=4 2806 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,1,0,0,0,0|2,0,1]=4 2807 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,1,0,0,0,0|2,0,1]=4 2808 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,1,0,0,0,0|2,0,1]=4 2809 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,1,0,0,0,0|2,0,1]=4 2810 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,1,0,0,0,0|2,0,1]=4 2811 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,1,0,0,0,0|1,0,2]=4 2812 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,1,0,0,0,0|1,0,2]=4 2813 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,1,0,0,0,0|1,0,2]=4 2814 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 2815 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 2816 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 2817 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 2818 B11R0.147 C#CCNC(=O)CCCC(C)O 1626a_100000212058_100000761597 [0,1,0,0,0,0|1,0,2]=4 2819 B11R0.147 C#CCNC(=O)CCCC(C)O 527a_100000212058_100000761597 [0,1,0,0,0,0|1,0,2]=4 2820 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,1,0,0,0,0|1,0,2]=4 2821 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,1,0,0,0,0|1,0,2]=4 2822 B11R0.147 C=CC=CC(=O)CCCC(C)C 1458a_100016291481_100011214892 [0,1,0,0,0,0|1,0,1]=3 2823 B11R0.147 C=CC=CC(=O)CCCC(C)O 1458a_100016291481_200000718107 [0,1,0,0,0,0|1,0,1]=3 2824 B11R0.147 C=CC=CC(=O)CCCN(C)C 1458a_100016291481_100000695564 [0,1,0,0,0,0|2,0,1]=4 2825 B11R0.147 C=CC=CC(=O)CCOC(C)C 1458a_100016291481_100000211751 [0,1,0,0,0,0|2,0,1]=4 2826 B11R0.147 C=CC=CC(=O)CCSC(C)C 1458a_100016291481_100000730970 [0,1,0,0,0,0|2,0,1]=4 2827 B11R0.147 C=CC=CC(=O)NCCC(C)C 1626a_100000210545_100016291481 [0,1,0,0,0,0|2,0,1]=4 2828 B11R0.147 C=CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000754431 [0,1,0,0,0,0|1,0,2]=4 2829 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,1,0,0,0,0|1,0,2]=4 2830 B11R0.147 C=CCCC(=O)CCCC(=O)C 1458a_100000749702_100011215641 [0,1,0,0,0,0|1,0,1]=3 2831 B11R0.147 C=CCCC(=O)CCCC(=O)N 1458a_100000749702_100102525003 [0,1,0,0,0,0|2,0,1]=4 2832 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,1,0,0,0,0|1,0,0]=2 2833 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,1,0,0,0,0|1,0,0]=2 2834 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,1,0,0,0,0|1,0,0]=2 2835 B11R0.147 C=CCCC(=O)CCCN(C)C 1458a_100000749702_100000695564 [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.147 C=CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000754431 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000183196_100000754431 [0,1,0,0,0,0|2,0,1]=4 2838 B11R0.147 C=CCCC(=O)CCNC(=O)C 1458a_100000749702_100000189650 [0,1,0,0,0,0|2,0,1]=4 2839 B11R0.147 C=CCCC(=O)CCOC(=O)C 1458a_100000749702_100009814007 [0,1,0,0,0,0|2,0,1]=4 2840 B11R0.147 C=CCCC(=O)CCOC(C)C 1458a_100000749702_100000211751 [0,1,0,0,0,0|2,0,0]=3 2841 B11R0.147 C=CCCC(=O)CCSC(=O)C 1458a_100000048949_100000754431 [0,1,0,0,0,0|2,0,1]=4 2842 B11R0.147 C=CCCC(=O)CCSC(C)C 1458a_100000749702_100000730970 [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.147 C=CCCC(=O)COCC(C)C 1458a_100011223364_100000754431 [0,1,0,0,0,0|2,0,0]=3 2844 B11R0.147 C=CCCC(=O)NCCC(C)C 11a_100000210545_100000749702 [0,1,0,0,0,0|2,0,0]=3 2845 B11R0.147 C=CCCC(=O)NCCC(C)C 1626a_100000210545_100000749702 [0,1,0,0,0,0|2,0,0]=3 2846 B11R0.147 C=CCCC(=O)NCCC(C)C 240690a_100000210545_100000749702 [0,1,0,0,0,0|2,0,0]=3 2847 B11R0.147 C=CCCC(=O)NCCC(C)C 527a_100000210545_100000749702 [0,1,0,0,0,0|2,0,0]=3 2848 B11R0.147 C=CCCC(=O)NCCC(C)O 240690a_200000755665_100000749702 [0,1,0,0,0,0|2,0,0]=3 2849 B11R0.147 C=CCCC(=O)NCCC(C)O 527a_200000755665_100000749702 [0,1,0,0,0,0|2,0,0]=3 2850 B11R0.147 C=CCCC(=O)NCCN(C)C 240690a_100000210585_100000749702 [0,1,0,0,0,0|3,0,0]=4 2851 B11R0.147 C=CCCC(=O)NCCN(C)C 527a_100000210585_100000749702 [0,1,0,0,0,0|3,0,0]=4 2852 B11R0.147 C=CCCC(=O)NNCC(C)C 22a_100000696102_100000749702 [0,1,0,0,0,0|3,0,0]=4 2853 B11R0.147 C=CCCC(=O)NNCC(C)O 22a_200000730056_100000749702 [0,1,0,0,0,0|3,0,0]=4 2854 B11R0.147 C=CCCN(C)CCCC(C)C 2230a_100020639649_100011214892 [0,1,0,0,0,0|3,0,0]=4 2855 B11R0.147 C=CCCN(C)CCCC(C)C 269982a_100020639649_100011214892 [0,1,0,0,0,0|3,0,0]=4 2856 B11R0.147 C=CCCN(C)CCCC(C)O 2230a_100020639649_200000718107 [0,1,0,0,0,0|3,0,0]=4 2857 B11R0.147 C=CCCN(C)CCCC(C)O 269982a_100020639649_200000718107 [0,1,0,0,0,0|3,0,0]=4 2858 B11R0.147 C=CCNC(=O)C/C=C/C(C)C 1626a_100020586998_100016292215 [0,1,0,0,0,0|1,0,2]=4 2859 B11R0.147 C=CCNC(=O)C/C=C/C(C)C 240690a_100020586998_100016292215 [0,1,0,0,0,0|1,0,2]=4 2860 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,1,0,0,0,0|1,0,0]=2 2861 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,1,0,0,0,0|1,0,0]=2 2862 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,1,0,0,0,0|1,0,0]=2 2863 B11R0.147 C=CCNC(=O)CCCC(C)O 1626a_100020586998_100000761597 [0,1,0,0,0,0|1,0,0]=2 2864 B11R0.147 C=CCNC(=O)CCCC(C)O 527a_100020586998_100000761597 [0,1,0,0,0,0|1,0,0]=2 2865 B11R0.147 C=CCNC(=O)CCCN(C)C 240690a_100020586998_100000740757 [0,1,0,0,0,0|2,0,0]=3 2866 B11R0.147 C=CCNC(=O)CCC[N+](=O)[O-] 1626a_100020586998_100016109205 [0,1,0,0,0,0|3,0,0]=4 2867 B11R0.147 C=CCNC(=O)CCC[N+](=O)[O-] 240690a_100020586998_100016109205 [0,1,0,0,0,0|3,0,0]=4 2868 B11R0.147 C=CCNC(=O)CCC[N+](=O)[O-] 527a_100020586998_100016109205 [0,1,0,0,0,0|3,0,0]=4 2869 B11R0.147 C=CCNC(=O)CCNC(=O)C 1626a_100020586998_100000183196 [0,1,0,0,0,0|2,0,1]=4 2870 B11R0.147 C=CCNC(=O)CCNC(=O)C 240690a_100020586998_100000183196 [0,1,0,0,0,0|2,0,1]=4 2871 B11R0.147 C=CCNC(=O)CCNC(=O)C 527a_100020586998_100000183196 [0,1,0,0,0,0|2,0,1]=4 2872 B11R0.147 C=CCNC(=O)CCNC(C)C 2230a_100138425928_100011222895 [0,1,0,0,0,0|2,0,0]=3 2873 B11R0.147 C=CCNC(=O)CCSC(=O)C 1626a_100020586998_100000048949 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.147 C=CCNC(=O)CCSC(=O)C 240690a_100020586998_100000048949 [0,1,0,0,0,0|2,0,1]=4 2875 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100000210206_100011222895 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.147 C=CCNC(=O)CCSC(C)C 62a_100011222895_100000210206 [0,1,0,0,0,0|2,0,0]=3 2877 B11R0.147 C=CCNC(=O)CNCC(C)C 2230a_100000210953_100000183597 [0,1,0,0,0,0|2,0,0]=3 2878 B11R0.147 C=CCNC(=O)CNCC(C)O 2230a_100000210904_100000183597 [0,1,0,0,0,0|2,0,0]=3 2879 B11R0.147 C=CCNC(=O)COCC(C)C 1626a_100020586998_100011223364 [0,1,0,0,0,0|2,0,0]=3 2880 B11R0.147 C=CCNC(=O)COCC(C)C 240690a_100020586998_100011223364 [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.147 C=CCNC(=O)COCC(C)C 527a_100020586998_100011223364 [0,1,0,0,0,0|2,0,0]=3 2882 B11R0.147 C=CCNC(=O)CSCC(=C)C 62a_100000183597_100000211660 [0,1,0,0,0,0|2,0,1]=4 2883 B11R0.147 C=CCNC(=O)CSCC(=C)C 62a_100000748629_100000183597 [0,1,0,0,0,0|2,0,1]=4 2884 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000183597_100000210760 [0,1,0,0,0,0|2,0,0]=3 2885 B11R0.147 C=CCNC(=O)CSCC(C)C 62a_100000210624_100000183597 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.147 C=CCNC(=O)CSCC(C)O 62a_100000183597_100011218427 [0,1,0,0,0,0|2,0,0]=3 2887 B11R0.147 C=CCNC(=O)CSCC(C)O 62a_100011218427_100000183597 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.147 C=CCNC(=O)CSCC(F)F 62a_100000183597_100011934356 [0,1,0,0,0,0|3,0,0]=4 2889 B11R0.147 C=CCNC(=O)CSCC(F)F 62a_100011934356_100000183597 [0,1,0,0,0,0|3,0,0]=4 2890 B11R0.147 C=CCNC(=O)CSC[C@@H](C)O 62a_100000183597_100009817552 [0,1,0,0,0,0|2,0,0]=3 2891 B11R0.147 C=CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183597 [0,1,0,0,0,0|2,0,0]=3 2892 B11R0.147 C=CCNC(=O)NCCC(C)C 2708a_100000210545_100020586998 [0,1,0,0,0,0|2,0,0]=3 2893 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100000210545_100020586998 [0,1,0,0,0,0|2,0,0]=3 2894 B11R0.147 C=CCNC(=O)NCCC(C)C 273464a_100020586998_100000210545 [0,1,0,0,0,0|2,0,0]=3 2895 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100000210545_100020586998 [0,1,0,0,0,0|2,0,0]=3 2896 B11R0.147 C=CCNC(=O)NCCC(C)C 512a_100020586998_100000210545 [0,1,0,0,0,0|2,0,0]=3 2897 B11R0.147 C=CCNC(=O)NCCC(C)O 273464a_200000755665_100020586998 [0,1,0,0,0,0|2,0,0]=3 2898 B11R0.147 C=CCNC(=O)NCCC(C)O 512a_100020586998_200000755665 [0,1,0,0,0,0|2,0,0]=3 2899 B11R0.147 C=CCNC(=O)NCCC(C)O 512a_200000755665_100020586998 [0,1,0,0,0,0|2,0,0]=3 2900 B11R0.147 C=CCNC(=O)NCCN(C)C 273464a_100000210585_100020586998 [0,1,0,0,0,0|3,0,0]=4 2901 B11R0.147 C=CCNC(=O)NCCN(C)C 273464a_100020586998_100000210585 [0,1,0,0,0,0|3,0,0]=4 2902 B11R0.147 C=CCNC(=O)NCCN(C)C 512a_100020586998_100000210585 [0,1,0,0,0,0|3,0,0]=4 2903 B11R0.147 C=CCNC(=O)NNCC(C)C 273464a_100020586998_100000696102 [0,1,0,0,0,0|3,0,0]=4 2904 B11R0.147 C=CCNC(=O)NNCC(C)C 512a_100000696102_100020586998 [0,1,0,0,0,0|3,0,0]=4 2905 B11R0.147 C=CCNC(=O)NNCC(C)C 512a_100020586998_100000696102 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.147 C=CCNC(=O)NNCC(C)O 512a_100020586998_200000730056 [0,1,0,0,0,0|3,0,0]=4 2907 B11R0.147 C=CCNC(=O)NNCC(C)O 512a_200000730056_100020586998 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.147 C=CCNC(C)CCCC(C)C 2230a_100000210607_100000210623 [0,1,0,0,0,0|2,0,1]=4 2909 B11R0.147 C=CCNC(C)CCCC(C)C 270004a_100020586998_100000753411 [0,1,0,0,0,0|2,0,1]=4 2910 B11R0.147 C=CCOC(=O)CNCC(=O)N 2230a_100000711301_100000033060 [0,1,0,0,0,0|2,0,1]=4 2911 B11R0.147 C=CCOC(=O)CNCC(=O)O 269956a_100016091260_100000033060 [0,1,0,0,0,0|2,0,1]=4 2912 B11R0.147 C=CCOC(=O)CNCC(C)C 2230a_100000210953_100000033060 [0,1,0,0,0,0|1,0,0]=2 2913 B11R0.147 C=CCOC(=O)CNCC(C)C 34a_100000210953_100000033060 [0,1,0,0,0,0|1,0,0]=2 2914 B11R0.147 C=CCOC(=O)CNCC(C)O 2230a_100000210904_100000033060 [0,1,0,0,0,0|1,0,0]=2 2915 B11R0.147 C=CCOC(=O)CNCC(C)O 34a_100000210904_100000033060 [0,1,0,0,0,0|1,0,0]=2 2916 B11R0.147 C=CCOC(=O)CNCC(F)F 34a_100000765723_100000033060 [0,1,0,0,0,0|2,0,0]=3 2917 B11R0.147 C=CCOC(=O)COCC(=C)C 34a_100000210245_100000033060 [0,1,0,0,0,0|1,0,1]=3 2918 B11R0.147 C=CCOC(=O)COCC(=C)F 34a_200010262243_100000033060 [0,1,0,0,0,0|1,0,2]=4 2919 B11R0.147 C=CCOC(=O)COCC(=O)C 34a_100000211253_100000033060 [0,1,0,0,0,0|1,0,1]=3 2920 B11R0.147 C=CCOC(=O)COCC(C)Br 34a_100012180447_100000033060 [0,1,0,0,0,0|1,0,0]=2 2921 B11R0.147 C=CCOC(=O)COCC(C)C 34a_100000210257_100000033060 [0,1,0,0,0,0|1,0,0]=2 2922 B11R0.147 C=CCOC(=O)COCC(C)F 34a_100015925927_100000033060 [0,1,0,0,0,0|1,0,0]=2 2923 B11R0.147 C=CCOC(=O)COCC(F)F 34a_100000743014_100000033060 [0,1,0,0,0,0|2,0,0]=3 2924 B11R0.147 C=CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000033060 [0,1,0,0,0,0|1,0,0]=2 2925 B11R0.147 C=CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000033060 [0,1,0,0,0,0|1,0,0]=2 2926 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000033060_100000211660 [0,1,0,0,0,0|1,0,1]=3 2927 B11R0.147 C=CCOC(=O)CSCC(=C)C 62a_100000748629_100000033060 [0,1,0,0,0,0|1,0,1]=3 2928 B11R0.147 C=CCOC(=O)CSCC(=C)F 62a_100000033060_100000042424 [0,1,0,0,0,0|1,0,2]=4 2929 B11R0.147 C=CCOC(=O)CSCC(=C)F 62a_100000042424_100000033060 [0,1,0,0,0,0|1,0,2]=4 2930 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000033060_100000747473 [0,1,0,0,0,0|2,0,1]=4 2931 B11R0.147 C=CCOC(=O)CSCC(=O)N 62a_100000747473_100000033060 [0,1,0,0,0,0|2,0,1]=4 2932 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100000033060_100020667443 [0,1,0,0,0,0|2,0,1]=4 2933 B11R0.147 C=CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000033060 [0,1,0,0,0,0|2,0,1]=4 2934 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000033060_100000210760 [0,1,0,0,0,0|1,0,0]=2 2935 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000210624_100000033060 [0,1,0,0,0,0|1,0,0]=2 2936 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100000033060_100011218427 [0,1,0,0,0,0|1,0,0]=2 2937 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100011218427_100000033060 [0,1,0,0,0,0|1,0,0]=2 2938 B11R0.147 C=CCOC(=O)CSCC(F)F 62a_100000033060_100011934356 [0,1,0,0,0,0|2,0,0]=3 2939 B11R0.147 C=CCOC(=O)CSCC(F)F 62a_100011934356_100000033060 [0,1,0,0,0,0|2,0,0]=3 2940 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100000033060_100009817552 [0,1,0,0,0,0|1,0,0]=2 2941 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000033060 [0,1,0,0,0,0|1,0,0]=2 2942 B11R0.147 C=CCOC(=O)CSC[N+](=O)[O-] 62a_100000033060_100000761209 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.147 C=CCOC(C)CCCC(C)C 34a_200011218570_100015514636 [0,1,0,0,0,0|1,0,1]=3 2944 B11R0.147 C=CCOC(C)CCCC(C)C 7a_200011218570_100015514636 [0,1,0,0,0,0|1,0,1]=3 2945 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,1,0,0,0,0|2,0,1]=4 2946 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,1,0,0,0,0|2,0,1]=4 2947 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,0|2,0,1]=4 2948 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,0|2,0,1]=4 2949 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 2950 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 2951 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2952 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2953 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2954 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,1,0,0,0,0|2,0,1]=4 2955 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,1,0,0,0,0|2,0,1]=4 2956 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,1,0,0,0,0|2,0,1]=4 2957 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [0,1,0,0,0,0|2,0,1]=4 2958 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [0,1,0,0,0,0|2,0,1]=4 2959 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,1,0,0,0,0|2,0,1]=4 2960 B11R0.147 CC(O)CCCC(=O)NCC#N 1626a_100000734998_100000761597 [0,1,0,0,0,0|2,0,1]=4 2961 B11R0.147 CC(O)CCCC(=O)NCC#N 527a_100000734998_100000761597 [0,1,0,0,0,0|2,0,1]=4 2962 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,1,0,0,0,0|2,0,1]=4 2963 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,1,0,0,0,0|2,0,1]=4 2964 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,0|2,0,1]=4 2965 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,1,0,0,0,0|1,0,2]=4 2966 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,1,0,0,0,0|1,0,2]=4 2967 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,1,0,0,0,0|1,0,2]=4 2968 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,0|1,0,2]=4 2969 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,0|1,0,2]=4 2970 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,0|1,0,2]=4 2971 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,0|1,0,2]=4 2972 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,0|1,0,2]=4 2973 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,0|1,0,2]=4 2974 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,0|1,0,2]=4 2975 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,1,0,0,0,0|1,0,2]=4 2976 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,1,0,0,0,0|1,0,2]=4 2977 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,1,0,0,0,0|1,0,2]=4 2978 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,1,0,0,0,0|1,0,2]=4 2979 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,0|1,0,2]=4 2980 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,0|1,0,2]=4 2981 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,1,0,0,0,0|1,0,2]=4 2982 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,1,0,0,0,0|1,0,2]=4 2983 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,1,0,0,0,0|1,0,2]=4 2984 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,1,0,0,0,0|1,0,2]=4 2985 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,1,0,0,0,0|1,0,2]=4 2986 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,1,0,0,0,0|1,0,2]=4 2987 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,1,0,0,0,0|1,0,2]=4 2988 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,0|1,0,2]=4 2989 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,0|1,0,2]=4 2990 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,0|1,0,2]=4 2991 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,0|1,0,2]=4 2992 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,0|2,0,1]=4 2993 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,0|2,0,1]=4 2994 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,0|2,0,1]=4 2995 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,0|2,0,1]=4 2996 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,0|2,0,1]=4 2997 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,1,0,0,0,0|2,0,1]=4 2998 B11R0.152 C#CC(CCCCC)OCC=C 34a_100011216489_100015514636 [0,1,0,0,0,0|1,0,1]=3 2999 B11R0.152 C#CC(CCCCC)OCC=C 7a_100011216489_100015514636 [0,1,0,0,0,0|1,0,1]=3 3000 B11R0.152 C#CC(CCCCC)OCC=O 34a_100011216489_200009817547 [0,1,0,0,0,0|2,0,1]=4 3001 B11R0.152 C#CC(CCCCC)OCC=O 7a_100011216489_200015260668 [0,1,0,0,0,0|2,0,1]=4 3002 B11R0.152 C=CC(CCCCC)OCC=O 34a_100011216863_200009817547 [0,1,0,0,0,0|2,0,1]=4 3003 B11R0.152 C=CC(CCCCC)OCC=O 7a_100011216863_200015260668 [0,1,0,0,0,0|2,0,1]=4 3004 B11R0.152 C=CCNC(CC)CCCCC 270004a_100020586998_100011215316 [0,1,0,0,0,0|2,0,1]=4 3005 B11R0.152 C=CCOC(C=C)CCCCC 34a_100011216863_100015514636 [0,1,0,0,0,0|1,0,1]=3 3006 B11R0.152 C=CCOC(C=C)CCCCC 7a_100011216863_100015514636 [0,1,0,0,0,0|1,0,1]=3 3007 B11R0.152 C=CCOC(CC)CCCCC 34a_100011215405_100015514636 [0,1,0,0,0,0|1,0,1]=3 3008 B11R0.152 C=CCOC(CC)CCCCC 7a_100011215405_100015514636 [0,1,0,0,0,0|1,0,1]=3 3009 B11R0.152 CCCCCC(CC)OCC=O 34a_100011215405_200009817547 [0,1,0,0,0,0|2,0,1]=4 3010 B11R0.152 CCCCCC(CC)OCC=O 7a_100011215405_200015260668 [0,1,0,0,0,0|2,0,1]=4 3011 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 3012 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 3013 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 3014 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 3015 B11R0.154 C#CCCCC(=O)CC(C)C=C 1458a_100011934298_100000731252 [0,1,0,0,0,0|1,0,2]=4 3016 B11R0.154 C=CC(=O)CC(=O)CCCCC 1458a_100000185746_200012276598 [0,1,0,0,0,0|1,0,1]=3 3017 B11R0.154 C=CC(=O)CC(=O)NCCCC 1458a_100000185746_100000182744 [0,1,0,0,0,0|2,0,1]=4 3018 B11R0.154 C=CC(=O)CC(=O)OCCCC 1458a_100000185746_100000211628 [0,1,0,0,0,0|2,0,1]=4 3019 B11R0.154 C=CC(C)CC(=O)C/C=C\CC 1458a_100011934298_100103147603 [0,1,0,0,0,0|1,0,2]=4 3020 B11R0.154 C=CC(C)CC(=O)CC#CCC 1458a_100011934298_100009813939 [0,1,0,0,0,0|1,0,2]=4 3021 B11R0.154 C=CC(C)CC(=O)CCCC#N 1458a_100011934298_100000211468 [0,1,0,0,0,0|2,0,1]=4 3022 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,0,0,0,0|1,0,0]=2 3023 B11R0.154 C=CC(C)CC(=O)CCCCF 1458a_100011934298_100000729493 [0,1,0,0,0,0|2,0,0]=3 3024 B11R0.154 C=CC(C)CC(=O)CCCCO 1458a_100011934298_100000210776 [0,1,0,0,0,0|2,0,0]=3 3025 B11R0.154 C=CC(C)CC(=O)CCCOC 1458a_100011934298_100000740836 [0,1,0,0,0,0|2,0,0]=3 3026 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [0,1,0,0,0,0|2,0,0]=3 3027 B11R0.154 C=CC(C)CC(=O)CCSCC 1458a_100011934298_100000757381 [0,1,0,0,0,0|2,0,0]=3 3028 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,1,0,0,0,0|2,0,0]=3 3029 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,1,0,0,0,0|2,0,0]=3 3030 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,1,0,0,0,0|2,0,0]=3 3031 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,1,0,0,0,0|2,0,0]=3 3032 B11R0.154 C=CC(C)CC(=O)NCCCF 11a_100015189416_100011934298 [0,1,0,0,0,0|3,0,0]=4 3033 B11R0.154 C=CC(C)CC(=O)NCCCF 1626a_100015189416_100011934298 [0,1,0,0,0,0|3,0,0]=4 3034 B11R0.154 C=CC(C)CC(=O)NCCCF 240690a_100015189416_100011934298 [0,1,0,0,0,0|3,0,0]=4 3035 B11R0.154 C=CC(C)CC(=O)NCCCF 527a_100015189416_100011934298 [0,1,0,0,0,0|3,0,0]=4 3036 B11R0.154 C=CC(C)CC(=O)NCCCO 240690a_100000182051_100011934298 [0,1,0,0,0,0|3,0,0]=4 3037 B11R0.154 C=CC(C)CC(=O)NCCCO 527a_100000182051_100011934298 [0,1,0,0,0,0|3,0,0]=4 3038 B11R0.154 C=CC(C)CC(=O)NCCOC 1626a_100000209980_100011934298 [0,1,0,0,0,0|3,0,0]=4 3039 B11R0.154 C=CC(C)CC(=O)NCCOC 240690a_100000209980_100011934298 [0,1,0,0,0,0|3,0,0]=4 3040 B11R0.154 C=CC(C)CC(=O)NCCOC 527a_100000209980_100011934298 [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.154 C=CC(C)CC(=O)NCCSC 11a_100020590264_100011934298 [0,1,0,0,0,0|3,0,0]=4 3042 B11R0.154 C=CC(C)CC(=O)NCCSC 1626a_100020590264_100011934298 [0,1,0,0,0,0|3,0,0]=4 3043 B11R0.154 C=CC(C)CC(=O)NCCSC 240690a_100020590264_100011934298 [0,1,0,0,0,0|3,0,0]=4 3044 B11R0.154 C=CC(C)CC(=O)NCCSC 527a_100020590264_100011934298 [0,1,0,0,0,0|3,0,0]=4 3045 B11R0.154 C=CC(C)CC(=O)NNCCC 22a_100000740057_100011934298 [0,1,0,0,0,0|3,0,0]=4 3046 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [0,1,0,0,0,0|1,0,1]=3 3047 B11R0.154 C=CC(C)SC(C)CCCCC 62a_100011215867_200011218191 [0,1,0,0,0,0|1,1,1]=4 3048 B11R0.154 C=CC(O)CN(C)CCCCC 2230a_100000223495_100000730141 [0,1,0,0,0,0|3,0,0]=4 3049 B11R0.154 C=CCCCC(=O)CC(C)C=C 1458a_100011934298_100000757094 [0,1,0,0,0,0|1,0,2]=4 3050 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,0|1,0,2]=4 3051 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,0|1,0,2]=4 3052 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|1,0,2]=4 3053 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|1,0,2]=4 3054 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,0|1,0,2]=4 3055 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,0,0,0,0|2,0,1]=4 3056 B11R0.154 CCCCCC(=O)NC(C)C#N 11a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 3057 B11R0.154 CCCCCC(=O)NC(C)C#N 1626a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 3058 B11R0.154 CCCCCC(=O)NC(C)C#N 527a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 3059 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,0,0,0,0|1,0,2]=4 3060 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,0,0,0,0|1,0,2]=4 3061 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,0,0,0,0|1,0,2]=4 3062 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,0,0,0,0|1,0,2]=4 3063 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,1,0,0,0,0|2,0,1]=4 3064 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,1,0,0,0,0|2,0,1]=4 3066 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,1,0,0,0,0|2,0,1]=4 3067 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,1,0,0,0,0|2,0,1]=4 3068 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,1,0,0,0,0|2,0,1]=4 3069 B11R0.155 C#CCCCC(=O)C(C)CC=C 1458a_100011216819_100000731252 [0,1,0,0,0,0|1,0,2]=4 3070 B11R0.155 C#CCCCC(=O)N(C)CC=C 11a_100000225617_100000690238 [0,1,0,0,0,0|1,0,2]=4 3071 B11R0.155 C#CCCCC(=O)N(C)CC=C 1626a_100000225617_100000690238 [0,1,0,0,0,0|1,0,2]=4 3072 B11R0.155 C#CCCCC(=O)N(C)CC=C 240690a_100000225617_100000690238 [0,1,0,0,0,0|1,0,2]=4 3073 B11R0.155 C#CCCCC(=O)N(C)CC=C 527a_100000225617_100000690238 [0,1,0,0,0,0|1,0,2]=4 3074 B11R0.155 C#CCN(C)C(=O)CCCCC 11a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 3075 B11R0.155 C#CCN(C)C(=O)CCCCC 1626a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 3076 B11R0.155 C#CCN(C)C(=O)CCCCC 527a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 3077 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100000210193_200011218191 [0,1,0,0,0,0|2,0,1]=4 3078 B11R0.155 C=CCC(=O)C(C)CCCCC 1458a_100011215998_100000210623 [0,1,0,0,0,0|2,0,1]=4 3079 B11R0.155 C=CCC(=O)N(C)CCCCC 11a_100000223495_100000210193 [0,1,0,0,0,0|3,0,0]=4 3080 B11R0.155 C=CCC(=O)N(C)CCCCC 1626a_100000223495_100000210193 [0,1,0,0,0,0|3,0,0]=4 3081 B11R0.155 C=CCC(=O)N(C)CCCCC 240690a_100000223495_100000210193 [0,1,0,0,0,0|3,0,0]=4 3082 B11R0.155 C=CCC(=O)N(C)CCCCC 527a_100000223495_100000210193 [0,1,0,0,0,0|3,0,0]=4 3083 B11R0.155 C=CCC(C)C(=O)C/C=C\CC 1458a_100011216819_100103147603 [0,1,0,0,0,0|1,0,2]=4 3084 B11R0.155 C=CCC(C)C(=O)CC#CCC 1458a_100011216819_100009813939 [0,1,0,0,0,0|1,0,2]=4 3085 B11R0.155 C=CCC(C)C(=O)CCCC#N 1458a_100011216819_100000211468 [0,1,0,0,0,0|2,0,1]=4 3086 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,1,0,0,0,0|1,0,0]=2 3087 B11R0.155 C=CCC(C)C(=O)CCCCF 1458a_100011216819_100000729493 [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.155 C=CCC(C)C(=O)CCCCO 1458a_100011216819_100000210776 [0,1,0,0,0,0|2,0,0]=3 3089 B11R0.155 C=CCC(C)C(=O)CCCOC 1458a_100011216819_100000740836 [0,1,0,0,0,0|2,0,0]=3 3090 B11R0.155 C=CCC(C)C(=O)CCOCC 1458a_100011216819_100011215890 [0,1,0,0,0,0|2,0,0]=3 3091 B11R0.155 C=CCC(C)C(=O)CCSCC 1458a_100011216819_100000757381 [0,1,0,0,0,0|2,0,0]=3 3092 B11R0.155 C=CCC(C)C(=O)NCCCC 11a_100000102301_100011216819 [0,1,0,0,0,0|2,0,0]=3 3093 B11R0.155 C=CCC(C)C(=O)NCCCC 1626a_100000102301_100011216819 [0,1,0,0,0,0|2,0,0]=3 3094 B11R0.155 C=CCC(C)C(=O)NCCCC 240690a_100000102301_100011216819 [0,1,0,0,0,0|2,0,0]=3 3095 B11R0.155 C=CCC(C)C(=O)NCCCC 527a_100000102301_100011216819 [0,1,0,0,0,0|2,0,0]=3 3096 B11R0.155 C=CCC(C)C(=O)NCCCF 11a_100015189416_100011216819 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.155 C=CCC(C)C(=O)NCCCF 1626a_100015189416_100011216819 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.155 C=CCC(C)C(=O)NCCCF 240690a_100015189416_100011216819 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.155 C=CCC(C)C(=O)NCCCF 527a_100015189416_100011216819 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.155 C=CCC(C)C(=O)NCCCO 240690a_100000182051_100011216819 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.155 C=CCC(C)C(=O)NCCCO 527a_100000182051_100011216819 [0,1,0,0,0,0|3,0,0]=4 3102 B11R0.155 C=CCC(C)C(=O)NCCOC 1626a_100000209980_100011216819 [0,1,0,0,0,0|3,0,0]=4 3103 B11R0.155 C=CCC(C)C(=O)NCCOC 240690a_100000209980_100011216819 [0,1,0,0,0,0|3,0,0]=4 3104 B11R0.155 C=CCC(C)C(=O)NCCOC 527a_100000209980_100011216819 [0,1,0,0,0,0|3,0,0]=4 3105 B11R0.155 C=CCC(C)C(=O)NCCSC 11a_100020590264_100011216819 [0,1,0,0,0,0|3,0,0]=4 3106 B11R0.155 C=CCC(C)C(=O)NCCSC 1626a_100020590264_100011216819 [0,1,0,0,0,0|3,0,0]=4 3107 B11R0.155 C=CCC(C)C(=O)NCCSC 240690a_100020590264_100011216819 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.155 C=CCC(C)C(=O)NCCSC 527a_100020590264_100011216819 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.155 C=CCC(C)C(=O)NNCCC 22a_100000740057_100011216819 [0,1,0,0,0,0|3,0,0]=4 3110 B11R0.155 C=CCCCC(=O)C(C)CC=C 1458a_100011216819_100000757094 [0,1,0,0,0,0|1,0,2]=4 3111 B11R0.155 C=CCCCC(=O)N(C)CC=C 11a_100000225617_100000766728 [0,1,0,0,0,0|1,0,2]=4 3112 B11R0.155 C=CCCCC(=O)N(C)CC=C 1626a_100000225617_100000766728 [0,1,0,0,0,0|1,0,2]=4 3113 B11R0.155 C=CCCCC(=O)N(C)CC=C 240690a_100000225617_100000766728 [0,1,0,0,0,0|1,0,2]=4 3114 B11R0.155 C=CCCCC(=O)N(C)CC=C 527a_100000225617_100000766728 [0,1,0,0,0,0|1,0,2]=4 3115 B11R0.155 C=CCN(C)C(=O)C#CCCC 240690a_100000225617_200011218047 [0,1,0,0,0,0|1,0,2]=4 3116 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 11a_100000225617_100016274230 [0,1,0,0,0,0|1,0,2]=4 3117 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 1626a_100000225617_100016274230 [0,1,0,0,0,0|1,0,2]=4 3118 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 240690a_100000225617_100016274230 [0,1,0,0,0,0|1,0,2]=4 3119 B11R0.155 C=CCN(C)C(=O)C/C=C/CC 527a_100000225617_100016274230 [0,1,0,0,0,0|1,0,2]=4 3120 B11R0.155 C=CCN(C)C(=O)C=CCCC 11a_100000225617_100000212230 [0,1,0,0,0,0|1,0,2]=4 3121 B11R0.155 C=CCN(C)C(=O)C=CCCC 1626a_100000225617_100000212230 [0,1,0,0,0,0|1,0,2]=4 3122 B11R0.155 C=CCN(C)C(=O)C=CCCC 240690a_100000225617_100000212230 [0,1,0,0,0,0|1,0,2]=4 3123 B11R0.155 C=CCN(C)C(=O)CCCC#N 11a_100000225617_100000075515 [0,1,0,0,0,0|2,0,1]=4 3124 B11R0.155 C=CCN(C)C(=O)CCCC#N 1626a_100000225617_100000075515 [0,1,0,0,0,0|2,0,1]=4 3125 B11R0.155 C=CCN(C)C(=O)CCCC#N 240690a_100000225617_100000075515 [0,1,0,0,0,0|2,0,1]=4 3126 B11R0.155 C=CCN(C)C(=O)CCCC#N 527a_100000225617_100000075515 [0,1,0,0,0,0|2,0,1]=4 3127 B11R0.155 C=CCN(C)C(=O)CCCCC 11a_100000225617_100000212188 [0,1,0,0,0,0|1,0,0]=2 3128 B11R0.155 C=CCN(C)C(=O)CCCCC 1626a_100000225617_100000212188 [0,1,0,0,0,0|1,0,0]=2 3129 B11R0.155 C=CCN(C)C(=O)CCCCC 240690a_100000225617_100000212188 [0,1,0,0,0,0|1,0,0]=2 3130 B11R0.155 C=CCN(C)C(=O)CCCCC 527a_100000225617_100000212188 [0,1,0,0,0,0|1,0,0]=2 3131 B11R0.155 C=CCN(C)C(=O)CCCCO 1626a_100000225617_100000695505 [0,1,0,0,0,0|2,0,0]=3 3132 B11R0.155 C=CCN(C)C(=O)CCCOC 11a_100000225617_100000741012 [0,1,0,0,0,0|2,0,0]=3 3133 B11R0.155 C=CCN(C)C(=O)CCCOC 1626a_100000225617_100000741012 [0,1,0,0,0,0|2,0,0]=3 3134 B11R0.155 C=CCN(C)C(=O)CCCOC 240690a_100000225617_100000741012 [0,1,0,0,0,0|2,0,0]=3 3135 B11R0.155 C=CCN(C)C(=O)CCCOC 527a_100000225617_100000741012 [0,1,0,0,0,0|2,0,0]=3 3136 B11R0.155 C=CCN(C)C(=O)CCCSC 11a_100000225617_100000173376 [0,1,0,0,0,0|2,0,0]=3 3137 B11R0.155 C=CCN(C)C(=O)CCCSC 1626a_100000225617_100000173376 [0,1,0,0,0,0|2,0,0]=3 3138 B11R0.155 C=CCN(C)C(=O)CCCSC 240690a_100000225617_100000173376 [0,1,0,0,0,0|2,0,0]=3 3139 B11R0.155 C=CCN(C)C(=O)CCCSC 527a_100000225617_100000173376 [0,1,0,0,0,0|2,0,0]=3 3140 B11R0.155 C=CCN(C)C(=O)CCOCC 11a_100000225617_100000749530 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.155 C=CCN(C)C(=O)CCOCC 1626a_100000225617_100000749530 [0,1,0,0,0,0|2,0,0]=3 3142 B11R0.155 C=CCN(C)C(=O)CCOCC 240690a_100000225617_100000749530 [0,1,0,0,0,0|2,0,0]=3 3143 B11R0.155 C=CCN(C)C(=O)CCOCC 527a_100000225617_100000749530 [0,1,0,0,0,0|2,0,0]=3 3144 B11R0.155 C=CCN(C)C(=O)CCSCC 11a_100000225617_100000230768 [0,1,0,0,0,0|2,0,0]=3 3145 B11R0.155 C=CCN(C)C(=O)CCSCC 1626a_100000225617_100000230768 [0,1,0,0,0,0|2,0,0]=3 3146 B11R0.155 C=CCN(C)C(=O)CCSCC 240690a_100000225617_100000230768 [0,1,0,0,0,0|2,0,0]=3 3147 B11R0.155 C=CCN(C)C(=O)CCSCC 527a_100000225617_100000230768 [0,1,0,0,0,0|2,0,0]=3 3148 B11R0.155 C=CCN(C)C(=O)COCCC 11a_100000225617_100000745993 [0,1,0,0,0,0|2,0,0]=3 3149 B11R0.155 C=CCN(C)C(=O)COCCC 1626a_100000225617_100000745993 [0,1,0,0,0,0|2,0,0]=3 3150 B11R0.155 C=CCN(C)C(=O)COCCC 240690a_100000225617_100000745993 [0,1,0,0,0,0|2,0,0]=3 3151 B11R0.155 C=CCN(C)C(=O)COCCC 527a_100000225617_100000745993 [0,1,0,0,0,0|2,0,0]=3 3152 B11R0.155 C=CCN(C)C(=O)COCCO 1626a_100000225617_100000708028 [0,1,0,0,0,0|3,0,0]=4 3153 B11R0.155 C=CCN(C)C(=O)COCCO 240690a_100000225617_100000708028 [0,1,0,0,0,0|3,0,0]=4 3154 B11R0.155 C=CCN(C)C(=O)CSCCC 11a_100000225617_100000217233 [0,1,0,0,0,0|2,0,0]=3 3155 B11R0.155 C=CCN(C)C(=O)CSCCC 1626a_100000225617_100000217233 [0,1,0,0,0,0|2,0,0]=3 3156 B11R0.155 C=CCN(C)C(=O)CSCCC 240690a_100000225617_100000217233 [0,1,0,0,0,0|2,0,0]=3 3157 B11R0.155 C=CCN(C)C(=O)CSCCC 527a_100000225617_100000217233 [0,1,0,0,0,0|2,0,0]=3 3158 B11R0.155 C=CCN(C)C(=O)NCCCC 2708a_100000102301_100000225617 [0,1,0,0,0,0|2,0,0]=3 3159 B11R0.155 C=CCN(C)C(=O)NCCCC 273464a_100000102301_100000225617 [0,1,0,0,0,0|2,0,0]=3 3160 B11R0.155 C=CCN(C)C(=O)NCCCF 2708a_100015189416_100000225617 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.155 C=CCN(C)C(=O)NCCCF 273464a_100015189416_100000225617 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.155 C=CCN(C)C(=O)NCCCO 273464a_100000182051_100000225617 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.155 C=CCN(C)C(=O)NCCOC 273464a_100000209980_100000225617 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.155 C=CCN(C)C(=O)NCCSC 2708a_100020590264_100000225617 [0,1,0,0,0,0|3,0,0]=4 3165 B11R0.155 C=CCN(C)C(=O)NCCSC 273464a_100020590264_100000225617 [0,1,0,0,0,0|3,0,0]=4 3166 B11R0.155 C=CCN(C)C(C)CCCCC 2230a_100000225617_200011218191 [0,1,0,0,0,0|2,0,1]=4 3167 B11R0.155 C=CCN(C)C(C)CCCCC 269982a_100000225617_200011218191 [0,1,0,0,0,0|2,0,1]=4 3168 B11R0.155 C=CCN(C)C(C)CCCCC 270004a_100000225617_100000211708 [0,1,0,0,0,0|2,0,1]=4 3169 B11R0.155 CCCCCC(=O)C(C)CC#N 1458a_100000212188_100009813641 [0,1,0,0,0,0|2,0,1]=4 3170 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,1,0,0,0,0|1,0,2]=4 3171 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,1,0,0,0,0|1,0,2]=4 3172 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,1,0,0,0,0|2,0,1]=4 3173 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,1,0,0,0,0|2,0,1]=4 3174 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,1,0,0,0,0|2,0,1]=4 3175 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,1,0,0,0,0|2,0,1]=4 3176 B11R0.155 CCCCCC(=O)N(C)CC#N 11a_100000748184_100000212188 [0,1,0,0,0,0|2,0,1]=4 3177 B11R0.155 CCCCCC(=O)N(C)CC#N 1626a_100000748184_100000212188 [0,1,0,0,0,0|2,0,1]=4 3178 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,1,0,0,0,0|1,0,2]=4 3179 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,1,0,0,0,0|1,0,2]=4 3180 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,1,0,0,0,0|1,0,2]=4 3181 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,1,0,0,0,0|1,0,2]=4 3182 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,1,0,0,0,0|2,0,1]=4 3183 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,1,0,0,0,0|2,0,1]=4 3184 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,1,0,0,0,0|1,0,2]=4 3185 B11R0.321 C=CCNS(=O)(=O)CCCCC 270084a_100020586998_100000753860 [0,1,0,0,0,0|2,0,0]=3 3186 B11R0.321 C=CCNS(=O)(=O)CCCCC 274078a_100020586998_100000753860 [0,1,0,0,0,0|2,0,0]=3 3187 B11R0.321 C=CCNS(=O)(=O)CCCCCl 270084a_100020586998_100000021705 [0,1,0,0,0,0|3,0,0]=4 3188 B11R0.321 C=CCNS(=O)(=O)CCOCC 270084a_100020586998_100000747040 [0,1,0,0,0,0|3,0,0]=4 3189 B11R0.321 C=CCNS(=O)(=O)CCOCC 274078a_100020586998_100000747040 [0,1,0,0,0,0|3,0,0]=4 3190 B11R1.17 CCCCc1ccc[nH]c1=O 271570a_100020621405_100000050042 [0,0,0,1,0,0|1,0,2]=4 3191 B11R1.17 CCCCc1ccn[nH]c1=O 271570a_100020621405_100000087129 [0,0,0,1,0,0|2,0,1]=4 3192 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,0,0,1,0,0|1,0,2]=4 3193 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,0,0,1,0,0|1,0,2]=4 3194 B11R1.24 C=CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000754431 [0,0,0,1,0,0|3,0,0]=4 3195 B11R1.24 C=CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000754431 [0,0,0,1,0,0|3,0,0]=4 3196 B11R1.24 C=CCCN1CCC[C@@H](C1)C 34a_100000717927_100000754431 [0,0,0,1,0,0|3,0,0]=4 3197 B11R1.24 C=CCNC1CCCC(C1)C 2230a_100011194320_100000210623 [0,0,0,1,0,0|2,0,1]=4 3198 B11R1.24 C=CCNC1CCCC(C1)C 270004a_100020586998_100000183594 [0,0,0,1,0,0|2,0,1]=4 3199 B11R1.24 C=CCNC1CCCC(C1)C 34a_100011194320_100015514636 [0,0,0,1,0,0|2,0,1]=4 3200 B11R1.24 C=CCOC1C=C(CCC1)C 34a_100011218613_100015514636 [0,0,0,1,0,0|1,0,2]=4 3201 B11R1.24 C=CCOC1CCCC(C1)C 34a_100000211399_100015514636 [0,0,0,1,0,0|1,0,1]=3 3202 B11R1.24 C=CCOC1CCOC(C1)C 34a_100011986385_100015514636 [0,0,0,1,0,0|2,0,1]=4 3203 B11R1.24 C=CCOC1CCOC(C1)C 7a_100011986385_100015514636 [0,0,0,1,0,0|2,0,1]=4 3204 B11R1.24 CC1CCCC(C1)OCC=O 34a_100000211399_200009817547 [0,0,0,1,0,0|2,0,1]=4 3205 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,0,0,1,0,0|2,0,1]=4 3206 B11R1.28 CCCCCN1CC=CCC1 2230a_100000698166_100000210326 [0,0,0,1,0,0|3,0,0]=4 3207 B11R1.28 CCCCCN1CC=CCC1 269982a_100000698166_100000210215 [0,0,0,1,0,0|3,0,0]=4 3208 B11R1.28 CCCCCN1CC=CCC1 34a_100000698166_100000718602 [0,0,0,1,0,0|3,0,0]=4 3209 B11R1.28 COCCCC1=CCC=CC1 34a_100020667889_200000210301 [0,0,0,1,0,0|3,0,0]=4 3210 B11R1.28 [13CH3]OCCCC1=CCC=CC1 34a_100020667889_200025704644 [0,0,0,1,0,0|3,0,0]=4 3211 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,0,0,1,0,0|1,0,2]=4 3212 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,0,0,1,0,0|1,0,2]=4 3213 B11R1.29 C#CCNC(=O)C1CCCC1 11a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 3214 B11R1.29 C#CCNC(=O)C1CCCC1 1626a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 3215 B11R1.29 C#CCNC(=O)C1CCCC1 240690a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 3216 B11R1.29 C#CCNC(=O)C1CCCC1 527a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 3217 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,0,0,1,0,0|1,0,2]=4 3218 B11R1.29 C=CC=CC(=O)C1CCCC1 1458a_100016291481_100000179811 [0,0,0,1,0,0|1,0,1]=3 3219 B11R1.29 C=CC=CC(=O)C1CCOC1 1458a_100016291481_100000690089 [0,0,0,1,0,0|2,0,1]=4 3220 B11R1.29 C=CCCC(=O)C1=CCCC1 1458a_100000038896_100000754431 [0,0,0,1,0,0|1,0,2]=4 3221 B11R1.29 C=CCCC(=O)C1CC=CC1 1458a_100000759439_100000754431 [0,0,0,1,0,0|1,0,2]=4 3222 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,0,0,1,0,0|1,0,0]=2 3223 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,0,0,1,0,0|1,0,0]=2 3224 B11R1.29 C=CCCC(=O)C1CCCS1 1458a_100012002731_100000754431 [0,0,0,1,0,0|2,0,0]=3 3225 B11R1.29 C=CCCC(=O)C1CCOC1 1458a_100000749702_100000690089 [0,0,0,1,0,0|2,0,0]=3 3226 B11R1.29 C=CCCC(=O)C1CCOC1 1458a_100011219752_100000754431 [0,0,0,1,0,0|2,0,0]=3 3227 B11R1.29 C=CCCC(=O)N1CCCC1 240690a_100000188435_100000749702 [0,0,0,1,0,0|2,0,0]=3 3228 B11R1.29 C=CCCC(=O)N1CCCC1 527a_100000188435_100000749702 [0,0,0,1,0,0|2,0,0]=3 3229 B11R1.29 C=CCCC(=O)N1CCSC1 11a_100011215254_100000749702 [0,0,0,1,0,0|3,0,0]=4 3230 B11R1.29 C=CCCC(=O)N1CCSC1 240690a_100011215254_100000749702 [0,0,0,1,0,0|3,0,0]=4 3231 B11R1.29 C=CCCC(=O)N1CCSC1 527a_100011215254_100000749702 [0,0,0,1,0,0|3,0,0]=4 3232 B11R1.29 C=CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000754431 [0,0,0,1,0,0|2,0,0]=3 3233 B11R1.29 C=CCCN(C)C1CCCC1 2230a_100000207505_100000754431 [0,0,0,1,0,0|3,0,0]=4 3234 B11R1.29 C=CCCN(C)C1CCCC1 2230a_100020639649_100000179811 [0,0,0,1,0,0|3,0,0]=4 3235 B11R1.29 C=CCCN(C)C1CCCC1 269982a_100000207505_100000754431 [0,0,0,1,0,0|3,0,0]=4 3236 B11R1.29 C=CCCN(C)C1CCCC1 269982a_100020639649_100000179811 [0,0,0,1,0,0|3,0,0]=4 3237 B11R1.29 C=CCCN(C)C1CCCC1 270004a_100020639649_100000210133 [0,0,0,1,0,0|3,0,0]=4 3238 B11R1.29 C=CCCN(C)C1CCCC1 34a_100000207505_100000754431 [0,0,0,1,0,0|3,0,0]=4 3239 B11R1.29 C=CCNC(=O)C1=CCCC1 1626a_100020586998_100000038896 [0,0,0,1,0,0|1,0,2]=4 3240 B11R1.29 C=CCNC(=O)C1=CCCC1 240690a_100020586998_100000038896 [0,0,0,1,0,0|1,0,2]=4 3241 B11R1.29 C=CCNC(=O)C1CC=CC1 1626a_100020586998_100000759439 [0,0,0,1,0,0|1,0,2]=4 3242 B11R1.29 C=CCNC(=O)C1CC=CC1 240690a_100020586998_100000759439 [0,0,0,1,0,0|1,0,2]=4 3243 B11R1.29 C=CCNC(=O)C1CC=CC1 527a_100020586998_100000759439 [0,0,0,1,0,0|1,0,2]=4 3244 B11R1.29 C=CCNC(=O)C1CCCC1 1626a_100020586998_100000210718 [0,0,0,1,0,0|1,0,0]=2 3245 B11R1.29 C=CCNC(=O)C1CCCC1 240690a_100020586998_100000210718 [0,0,0,1,0,0|1,0,0]=2 3246 B11R1.29 C=CCNC(=O)C1CCCC1 527a_100020586998_100000210718 [0,0,0,1,0,0|1,0,0]=2 3247 B11R1.29 C=CCNC(=O)C1CCCS1 1626a_100020586998_100012002731 [0,0,0,1,0,0|2,0,0]=3 3248 B11R1.29 C=CCNC(=O)C1CCCS1 240690a_100020586998_100012002731 [0,0,0,1,0,0|2,0,0]=3 3249 B11R1.29 C=CCNC(=O)C1CCCS1 527a_100020586998_100012002731 [0,0,0,1,0,0|2,0,0]=3 3250 B11R1.29 C=CCNC(=O)C1CCOC1 1626a_100020586998_100011219752 [0,0,0,1,0,0|2,0,0]=3 3251 B11R1.29 C=CCNC(=O)C1CCOC1 240690a_100020586998_100011219752 [0,0,0,1,0,0|2,0,0]=3 3252 B11R1.29 C=CCNC(=O)C1CCOC1 527a_100020586998_100011219752 [0,0,0,1,0,0|2,0,0]=3 3253 B11R1.29 C=CCNC(=O)N1CCCC1 273464a_100020586998_100000188435 [0,0,0,1,0,0|2,0,0]=3 3254 B11R1.29 C=CCNC(=O)N1CCSC1 273464a_100020586998_100011215254 [0,0,0,1,0,0|3,0,0]=4 3255 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 1626a_100020586998_100000686382 [0,0,0,1,0,0|2,0,0]=3 3256 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 240690a_100020586998_100000686382 [0,0,0,1,0,0|2,0,0]=3 3257 B11R1.29 C=CCNC(=O)[C@@H]1CCCO1 527a_100020586998_100000686382 [0,0,0,1,0,0|2,0,0]=3 3258 B11R1.29 C=CCNC(C)C1CCCC1 2230a_100015185923_100000210623 [0,0,0,1,0,0|2,0,1]=4 3259 B11R1.29 C=CCNC(C)C1CCCC1 270004a_100020586998_100000749594 [0,0,0,1,0,0|2,0,1]=4 3260 B11R1.29 C=CCNC(C)C1CCCC1 34a_100015185923_100015514636 [0,0,0,1,0,0|2,0,1]=4 3261 B11R1.29 C=CCOC(C)C1CCCC1 34a_100011216366_100015514636 [0,0,0,1,0,0|1,0,1]=3 3262 B11R1.29 C=CCOC(C)C1CCCC1 7a_100011216366_100015514636 [0,0,0,1,0,0|1,0,1]=3 3263 B11R1.29 CC(OCC=O)C1CCCC1 34a_100011216366_200009817547 [0,0,0,1,0,0|2,0,1]=4 3264 B11R1.29 CC(OCC=O)C1CCCC1 7a_100011216366_200015260668 [0,0,0,1,0,0|2,0,1]=4 3265 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,0,0,1,0,0|1,0,2]=4 3266 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,0,0,1,0,0|1,0,2]=4 3267 B11R1.29 CC=NNC(=O)C1CCCC1 4a_100000189808_200000210099 [0,0,0,1,0,0|2,0,1]=4 3268 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,0,0,1,0,0|1,0,2]=4 3269 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,0,0,1,0,0|1,0,2]=4 3270 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,0,0,1,0,0|1,0,2]=4 3271 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,0,0,1,0,0|1,0,2]=4 3272 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,0,0,1,0,0|1,0,2]=4 3273 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,0,0,1,0,0|1,0,2]=4 3274 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,0,0,1,0,0|2,0,1]=4 3275 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,0,0,1,0,0|2,0,1]=4 3276 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,0,0,1,0,0|2,0,1]=4 3277 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,0,0,1,0,0|2,0,1]=4 3278 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,0,0,1,0,0|2,0,1]=4 3279 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,0,0,1,0,0|2,0,1]=4 3280 B11R1.29 N#CCNC(=O)C1CCCC1 1626a_100000734998_100000210718 [0,0,0,1,0,0|2,0,1]=4 3281 B11R1.29 N#CCNC(=O)C1CCCC1 527a_100000734998_100000210718 [0,0,0,1,0,0|2,0,1]=4 3282 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,0,0,1,0,0|2,0,1]=4 3283 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,0,0,1,0,0|2,0,1]=4 3284 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,0,0,1,0,0|2,0,1]=4 3285 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,0,0,1,0,0|2,0,1]=4 3286 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,0,0,1,0,0|2,0,1]=4 3287 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,0,0,1,0,0|2,0,1]=4 3288 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,0,0,1,0,0|2,0,1]=4 3289 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,0,0,1,0,0|2,0,1]=4 3290 B11R1.203 C=CCCN1CCCCCC1 2230a_100000185865_100000754431 [0,0,0,1,0,0|3,0,0]=4 3291 B11R1.203 C=CCCN1CCCCCC1 269982a_100000185865_100000754431 [0,0,0,1,0,0|3,0,0]=4 3292 B11R1.203 C=CCCN1CCCCCC1 34a_100000185865_100000754431 [0,0,0,1,0,0|3,0,0]=4 3293 B11R1.203 C=CCNC1CCCCCC1 2230a_100000210984_100000210623 [0,0,0,1,0,0|2,0,1]=4 3294 B11R1.203 C=CCNC1CCCCCC1 270004a_100020586998_100000210131 [0,0,0,1,0,0|2,0,1]=4 3295 B11R1.203 C=CCNC1CCCCCC1 34a_100000210984_100015514636 [0,0,0,1,0,0|2,0,1]=4 3296 B11R1.203 C=CCOC1CCCCCC1 34a_100000210887_100015514636 [0,0,0,1,0,0|1,0,1]=3 3297 B11R1.203 C=CCOC1CCCCCC1 34a_200000210373_100011217769 [0,0,0,1,0,0|1,0,1]=3 3298 B11R1.203 C=CCOC1CCCCCC1 7a_100000210887_100015514636 [0,0,0,1,0,0|1,0,1]=3 3299 B11R1.203 C=CCSC1CCCCCC1 62a_100000210623_100011217769 [0,0,0,1,0,0|1,1,1]=4 3300 B11R1.203 C=CCSC1CCCCCC1 62a_100011217769_100000210623 [0,0,0,1,0,0|1,1,1]=4 3301 B11R1.203 O=CCOC1CCCCCC1 34a_100000210887_200009817547 [0,0,0,1,0,0|2,0,1]=4 3302 B11R1.203 O=CCOC1CCCCCC1 7a_100000210887_200015260668 [0,0,0,1,0,0|2,0,1]=4 3303 B11R1.214 C=CCNC1CCC(C1)CC 270004a_100020586998_100011218773 [0,0,0,1,0,0|2,0,1]=4 3304 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [0,0,0,1,0,0|1,0,2]=4 3305 B11R1.282 C#CCNC(=O)C1CC1CC 11a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 3306 B11R1.282 C#CCNC(=O)C1CC1CC 1626a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 3307 B11R1.282 C#CCNC(=O)C1CC1CC 240690a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 3308 B11R1.282 C#CCNC(=O)C1CC1CC 527a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 3309 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [0,0,0,1,0,0|1,0,2]=4 3310 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,0,0,1,0,0|1,0,0]=2 3311 B11R1.282 C=CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000754431 [0,0,0,1,0,0|2,0,1]=4 3312 B11R1.282 C=CCNC(=O)C1CC1CC 1626a_100020586998_200011661523 [0,0,0,1,0,0|1,0,0]=2 3313 B11R1.282 C=CCNC(=O)C1CC1CC 240690a_100020586998_200011661523 [0,0,0,1,0,0|1,0,0]=2 3314 B11R1.282 C=CCNC(=O)C1CC1CC 527a_100020586998_200011661523 [0,0,0,1,0,0|1,0,0]=2 3315 B11R1.282 C=CCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100020586998_100015294237 [0,0,0,1,0,0|2,0,1]=4 3316 B11R1.282 C=CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100020586998_100015294237 [0,0,0,1,0,0|2,0,1]=4 3317 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [0,0,0,1,0,0|1,0,2]=4 3318 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [0,0,0,1,0,0|2,0,1]=4 3319 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,0,0,1,0,0|2,0,1]=4 3320 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,0,0,1,0,0|2,0,1]=4 3321 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,0,0,1,0,0|2,0,1]=4 3322 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,0,0,1,0,0|2,0,1]=4 3323 B11R1.282 CCC1CC1C(=O)NCC#N 1626a_100000734998_200011661523 [0,0,0,1,0,0|2,0,1]=4 3324 B11R1.282 CCC1CC1C(=O)NCC#N 527a_100000734998_200011661523 [0,0,0,1,0,0|2,0,1]=4 3325 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,0,0,1,0,0|2,0,1]=4 3326 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,0,0,1,0,0|2,0,1]=4 3327 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,0,0,1,0,0|2,0,1]=4 3328 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,0,0,1,0,0|2,0,1]=4 3329 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,0,0,1,0,0|2,0,1]=4 3330 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,0,0,1,0,0|2,0,1]=4 3331 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,0,0,1,0,0|1,0,2]=4 3332 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,0,0,1,0,0|1,0,2]=4 3333 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,0,0,1,0,0|1,0,2]=4 3334 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,0,0,1,0,0|1,0,2]=4 3335 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,0,0,1,0,0|1,0,2]=4 3336 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000749702 [0,0,0,1,0,0|3,0,0]=4 3337 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000749702 [0,0,0,1,0,0|3,0,0]=4 3338 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000749702 [0,0,0,1,0,0|3,0,0]=4 3339 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000749702 [0,0,0,1,0,0|3,0,0]=4 3340 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000749702 [0,0,0,1,0,0|3,0,0]=4 3341 B11R1.283 C=CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000749702 [0,0,0,1,0,0|3,0,0]=4 3342 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100020586998 [0,0,0,1,0,0|3,0,0]=4 3343 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100020586998_100015190264 [0,0,0,1,0,0|3,0,0]=4 3344 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100020586998_100015190264 [0,0,0,1,0,0|3,0,0]=4 3345 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100020586998_100025746932 [0,0,0,1,0,0|3,0,0]=4 3346 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@H]1F 512a_100020586998_100025746932 [0,0,0,1,0,0|3,0,0]=4 3347 B11R1.283 C=CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100020586998 [0,0,0,1,0,0|3,0,0]=4 3348 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [0,0,0,1,0,0|1,0,2]=4 3349 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [0,0,0,1,0,0|1,0,2]=4 3350 B11R1.284 C#CCNC(=O)CC1CCC1 11a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 3351 B11R1.284 C#CCNC(=O)CC1CCC1 1626a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 3352 B11R1.284 C#CCNC(=O)CC1CCC1 240690a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 3353 B11R1.284 C#CCNC(=O)CC1CCC1 527a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 3354 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [0,0,0,1,0,0|1,0,2]=4 3355 B11R1.284 C=CC=CC(=O)CC1CCC1 1458a_100016291481_100000763275 [0,0,0,1,0,0|1,0,1]=3 3356 B11R1.284 C=CC=CC(=O)CC1CCO1 1458a_100016291481_100000103362 [0,0,0,1,0,0|2,0,1]=4 3357 B11R1.284 C=CC=CC(=O)CC1COC1 1458a_100016291481_100010264016 [0,0,0,1,0,0|2,0,1]=4 3358 B11R1.284 C=CC=CC(=O)NC1CCC1 1626a_100000749019_100016291481 [0,0,0,1,0,0|2,0,1]=4 3359 B11R1.284 C=CCCC(=O)C=C1CCC1 1458a_100000686340_100000754431 [0,0,0,1,0,0|1,0,2]=4 3360 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [0,0,0,1,0,0|1,0,0]=2 3361 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [0,0,0,1,0,0|1,0,0]=2 3362 B11R1.284 C=CCCC(=O)CC1CCO1 1458a_100000749702_100000103362 [0,0,0,1,0,0|2,0,0]=3 3363 B11R1.284 C=CCCC(=O)CC1COC1 1458a_100000687760_100000754431 [0,0,0,1,0,0|2,0,0]=3 3364 B11R1.284 C=CCCC(=O)CC1COC1 1458a_100000749702_100010264016 [0,0,0,1,0,0|2,0,0]=3 3365 B11R1.284 C=CCCC(=O)NC1CCC1 11a_100000749019_100000749702 [0,0,0,1,0,0|2,0,0]=3 3366 B11R1.284 C=CCCC(=O)NC1CCC1 1626a_100000749019_100000749702 [0,0,0,1,0,0|2,0,0]=3 3367 B11R1.284 C=CCCC(=O)NC1CCC1 240690a_100000749019_100000749702 [0,0,0,1,0,0|2,0,0]=3 3368 B11R1.284 C=CCCC(=O)NC1CCC1 527a_100000749019_100000749702 [0,0,0,1,0,0|2,0,0]=3 3369 B11R1.284 C=CCCC(=O)NC1COC1 11a_100016991112_100000749702 [0,0,0,1,0,0|3,0,0]=4 3370 B11R1.284 C=CCCC(=O)NC1COC1 1626a_100016991112_100000749702 [0,0,0,1,0,0|3,0,0]=4 3371 B11R1.284 C=CCCC(=O)NC1COC1 240690a_100016991112_100000749702 [0,0,0,1,0,0|3,0,0]=4 3372 B11R1.284 C=CCCC(=O)NC1COC1 527a_100016991112_100000749702 [0,0,0,1,0,0|3,0,0]=4 3373 B11R1.284 C=CCCC(=O)NC1CSC1 11a_100016994217_100000749702 [0,0,0,1,0,0|3,0,0]=4 3374 B11R1.284 C=CCCC(=O)NC1CSC1 1626a_100016994217_100000749702 [0,0,0,1,0,0|3,0,0]=4 3375 B11R1.284 C=CCCC(=O)NC1CSC1 240690a_100016994217_100000749702 [0,0,0,1,0,0|3,0,0]=4 3376 B11R1.284 C=CCCC(=O)NC1CSC1 527a_100016994217_100000749702 [0,0,0,1,0,0|3,0,0]=4 3377 B11R1.284 C=CCCN(C)CC1CCC1 2230a_100020639649_100000763275 [0,0,0,1,0,0|3,0,0]=4 3378 B11R1.284 C=CCCN(C)CC1CCC1 2230a_200000750244_100000754431 [0,0,0,1,0,0|3,0,0]=4 3379 B11R1.284 C=CCCN(C)CC1CCC1 269982a_100020639649_100000763275 [0,0,0,1,0,0|3,0,0]=4 3380 B11R1.284 C=CCCN(C)CC1CCC1 269982a_200000750244_100000754431 [0,0,0,1,0,0|3,0,0]=4 3381 B11R1.284 C=CCCN(C)CC1CCC1 34a_200000750244_100000754431 [0,0,0,1,0,0|3,0,0]=4 3382 B11R1.284 C=CCNC(=O)C=C1CCC1 240690a_100020586998_100000686340 [0,0,0,1,0,0|1,0,2]=4 3383 B11R1.284 C=CCNC(=O)CC1CCC1 1626a_100020586998_100000763092 [0,0,0,1,0,0|1,0,0]=2 3384 B11R1.284 C=CCNC(=O)CC1CCC1 240690a_100020586998_100000763092 [0,0,0,1,0,0|1,0,0]=2 3385 B11R1.284 C=CCNC(=O)CC1CCC1 527a_100020586998_100000763092 [0,0,0,1,0,0|1,0,0]=2 3386 B11R1.284 C=CCNC(=O)CC1COC1 1626a_100020586998_100000687760 [0,0,0,1,0,0|2,0,0]=3 3387 B11R1.284 C=CCNC(=O)CN1CCC1 269982a_100000754969_100000183597 [0,0,0,1,0,0|2,0,0]=3 3388 B11R1.284 C=CCNC(=O)NC1CCC1 273464a_100000749019_100020586998 [0,0,0,1,0,0|2,0,0]=3 3389 B11R1.284 C=CCNC(=O)NC1CCC1 273464a_100020586998_100000749019 [0,0,0,1,0,0|2,0,0]=3 3390 B11R1.284 C=CCNC(=O)NC1CCC1 512a_100000749019_100020586998 [0,0,0,1,0,0|2,0,0]=3 3391 B11R1.284 C=CCNC(=O)NC1CCC1 512a_100020586998_100000749019 [0,0,0,1,0,0|2,0,0]=3 3392 B11R1.284 C=CCNC(=O)NC1COC1 2708a_100016991112_100020586998 [0,0,0,1,0,0|3,0,0]=4 3393 B11R1.284 C=CCNC(=O)NC1COC1 273464a_100016991112_100020586998 [0,0,0,1,0,0|3,0,0]=4 3394 B11R1.284 C=CCNC(=O)NC1COC1 273464a_100020586998_100016991112 [0,0,0,1,0,0|3,0,0]=4 3395 B11R1.284 C=CCNC(=O)NC1COC1 512a_100016991112_100020586998 [0,0,0,1,0,0|3,0,0]=4 3396 B11R1.284 C=CCNC(=O)NC1COC1 512a_100020586998_100016991112 [0,0,0,1,0,0|3,0,0]=4 3397 B11R1.284 C=CCNC(=O)NC1CSC1 2708a_100016994217_100020586998 [0,0,0,1,0,0|3,0,0]=4 3398 B11R1.284 C=CCNC(=O)NC1CSC1 273464a_100016994217_100020586998 [0,0,0,1,0,0|3,0,0]=4 3399 B11R1.284 C=CCNC(=O)NC1CSC1 273464a_100020586998_100016994217 [0,0,0,1,0,0|3,0,0]=4 3400 B11R1.284 C=CCNC(=O)NC1CSC1 512a_100016994217_100020586998 [0,0,0,1,0,0|3,0,0]=4 3401 B11R1.284 C=CCNC(=O)NC1CSC1 512a_100020586998_100016994217 [0,0,0,1,0,0|3,0,0]=4 3402 B11R1.284 C=CCOC(=O)CN1CCC1 269982a_100000754969_100000033060 [0,0,0,1,0,0|1,0,0]=2 3403 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [0,0,0,1,0,0|1,0,2]=4 3404 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [0,0,0,1,0,0|1,0,2]=4 3405 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,0,0,1,0,0|1,0,2]=4 3406 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,0,0,1,0,0|1,0,2]=4 3407 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,0,0,1,0,0|1,0,2]=4 3408 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,0,0,1,0,0|1,0,2]=4 3409 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,0,0,1,0,0|1,0,2]=4 3410 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,0,0,1,0,0|1,0,2]=4 3411 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [0,0,0,1,0,0|1,0,2]=4 3412 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [0,0,0,1,0,0|2,0,1]=4 3413 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [0,0,0,1,0,0|2,0,1]=4 3414 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [0,0,0,1,0,0|2,0,1]=4 3415 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [0,0,0,1,0,0|2,0,1]=4 3416 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100000763092_100011215226 [0,0,0,1,0,0|2,0,1]=4 3417 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100011934036_100000763275 [0,0,0,1,0,0|2,0,1]=4 3418 B11R1.284 N#CCNC(=O)CC1CCC1 1626a_100000734998_100000763092 [0,0,0,1,0,0|2,0,1]=4 3419 B11R1.284 N#CCNC(=O)CC1CCC1 527a_100000734998_100000763092 [0,0,0,1,0,0|2,0,1]=4 3420 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [0,0,0,1,0,0|2,0,1]=4 3421 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [0,0,0,1,0,0|2,0,1]=4 3422 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [0,0,0,1,0,0|2,0,1]=4 3423 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [0,0,0,1,0,0|2,0,1]=4 3424 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,0,0,1,0,0|2,0,1]=4 3425 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,0,0,1,0,0|2,0,1]=4 3426 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,0,0,1,0,0|2,0,1]=4 3427 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,0,0,1,0,0|2,0,1]=4 3428 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [0,0,0,1,0,0|1,0,2]=4 3429 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [0,0,0,1,0,0|1,0,2]=4 3430 B11R1.285 C#CCNC(=O)CCC1CC1 11a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 3431 B11R1.285 C#CCNC(=O)CCC1CC1 1626a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 3432 B11R1.285 C#CCNC(=O)CCC1CC1 240690a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 3433 B11R1.285 C#CCNC(=O)CCC1CC1 527a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 3434 B11R1.285 C/C=C/CC(=O)CCC1CC1 1458a_100000756386_100102629194 [0,0,0,1,0,0|1,0,2]=4 3435 B11R1.285 C=CC=CC(=O)CCC1CC1 1458a_100016291481_100000694398 [0,0,0,1,0,0|1,0,1]=3 3436 B11R1.285 C=CC=CC(=O)CCC1CO1 1458a_100016291481_100000732470 [0,0,0,1,0,0|2,0,1]=4 3437 B11R1.285 C=CC=CC(=O)NCC1CC1 1626a_100000735609_100016291481 [0,0,0,1,0,0|2,0,1]=4 3438 B11R1.285 C=CCCC(=O)C=CC1CC1 1458a_100102529529_100000754431 [0,0,0,1,0,0|1,0,2]=4 3439 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [0,0,0,1,0,0|1,0,0]=2 3440 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [0,0,0,1,0,0|1,0,0]=2 3441 B11R1.285 C=CCCC(=O)CCC1CO1 1458a_100000749702_100000732470 [0,0,0,1,0,0|2,0,0]=3 3442 B11R1.285 C=CCCC(=O)NCC1CC1 11a_100000735609_100000749702 [0,0,0,1,0,0|2,0,0]=3 3443 B11R1.285 C=CCCC(=O)NCC1CC1 1626a_100000735609_100000749702 [0,0,0,1,0,0|2,0,0]=3 3444 B11R1.285 C=CCCC(=O)NCC1CC1 240690a_100000735609_100000749702 [0,0,0,1,0,0|2,0,0]=3 3445 B11R1.285 C=CCCC(=O)NCC1CC1 527a_100000735609_100000749702 [0,0,0,1,0,0|2,0,0]=3 3446 B11R1.285 C=CCCC(=O)NNC1CC1 22a_100000701032_100000749702 [0,0,0,1,0,0|3,0,0]=4 3447 B11R1.285 C=CCCN(C)CCC1CC1 2230a_100020639649_100000694398 [0,0,0,1,0,0|3,0,0]=4 3448 B11R1.285 C=CCCN(C)CCC1CC1 269982a_100020639649_100000694398 [0,0,0,1,0,0|3,0,0]=4 3449 B11R1.285 C=CCNC(=O)C=CC1CC1 1626a_100020586998_100102529529 [0,0,0,1,0,0|1,0,2]=4 3450 B11R1.285 C=CCNC(=O)C=CC1CC1 240690a_100020586998_100102529529 [0,0,0,1,0,0|1,0,2]=4 3451 B11R1.285 C=CCNC(=O)CCC1CC1 1626a_100020586998_100000756386 [0,0,0,1,0,0|1,0,0]=2 3452 B11R1.285 C=CCNC(=O)CCC1CC1 240690a_100020586998_100000756386 [0,0,0,1,0,0|1,0,0]=2 3453 B11R1.285 C=CCNC(=O)CCC1CC1 527a_100020586998_100000756386 [0,0,0,1,0,0|1,0,0]=2 3454 B11R1.285 C=CCNC(=O)CSC1CC1 62a_100000183597_100000211595 [0,0,0,1,0,0|2,0,0]=3 3455 B11R1.285 C=CCNC(=O)NCC1CC1 2708a_100000735609_100020586998 [0,0,0,1,0,0|2,0,0]=3 3456 B11R1.285 C=CCNC(=O)NCC1CC1 273464a_100000735609_100020586998 [0,0,0,1,0,0|2,0,0]=3 3457 B11R1.285 C=CCNC(=O)NCC1CC1 273464a_100020586998_100000735609 [0,0,0,1,0,0|2,0,0]=3 3458 B11R1.285 C=CCNC(=O)NCC1CC1 512a_100000735609_100020586998 [0,0,0,1,0,0|2,0,0]=3 3459 B11R1.285 C=CCNC(=O)NCC1CC1 512a_100020586998_100000735609 [0,0,0,1,0,0|2,0,0]=3 3460 B11R1.285 C=CCNC(=O)NNC1CC1 273464a_100020586998_100000701032 [0,0,0,1,0,0|3,0,0]=4 3461 B11R1.285 C=CCNC(=O)NNC1CC1 512a_100000701032_100020586998 [0,0,0,1,0,0|3,0,0]=4 3462 B11R1.285 C=CCNC(=O)NNC1CC1 512a_100020586998_100000701032 [0,0,0,1,0,0|3,0,0]=4 3463 B11R1.285 C=CCOC(=O)CNC1CC1 34a_100000212008_100000033060 [0,0,0,1,0,0|1,0,0]=2 3464 B11R1.285 C=CCOC(=O)CSC1CC1 62a_100000033060_100000211595 [0,0,0,1,0,0|1,0,0]=2 3465 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100000756386_100000070051 [0,0,0,1,0,0|1,0,2]=4 3466 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100121576822_100000694398 [0,0,0,1,0,0|1,0,2]=4 3467 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,0,0,1,0,0|1,0,2]=4 3468 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,0,0,1,0,0|1,0,2]=4 3469 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,0,0,1,0,0|1,0,2]=4 3470 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,0,0,1,0,0|1,0,2]=4 3471 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,0,0,1,0,0|1,0,2]=4 3472 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,0,0,1,0,0|1,0,2]=4 3473 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [0,0,0,1,0,0|1,0,2]=4 3474 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [0,0,0,1,0,0|1,0,2]=4 3475 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [0,0,0,1,0,0|2,0,1]=4 3476 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [0,0,0,1,0,0|2,0,1]=4 3477 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [0,0,0,1,0,0|2,0,1]=4 3478 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [0,0,0,1,0,0|2,0,1]=4 3479 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100000756386_100011215226 [0,0,0,1,0,0|2,0,1]=4 3480 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100011934036_100000694398 [0,0,0,1,0,0|2,0,1]=4 3481 B11R1.285 N#CCNC(=O)CCC1CC1 1626a_100000734998_100000756386 [0,0,0,1,0,0|2,0,1]=4 3482 B11R1.285 N#CCNC(=O)CCC1CC1 527a_100000734998_100000756386 [0,0,0,1,0,0|2,0,1]=4 3483 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [0,0,0,1,0,0|2,0,1]=4 3484 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [0,0,0,1,0,0|2,0,1]=4 3485 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [0,0,0,1,0,0|2,0,1]=4 3486 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [0,0,0,1,0,0|2,0,1]=4 3487 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,0,0,1,0,0|2,0,1]=4 3488 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,0,0,1,0,0|2,0,1]=4 3489 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,0,0,1,0,0|2,0,1]=4 3490 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,0,0,1,0,0|2,0,1]=4 3491 B11R1.286 C=CCCC(=O)C1CCC1=O 1458a_100000749702_100009892977 [0,0,0,1,0,0|2,0,1]=4 3492 B11R1.286 C=CCCC(=O)N1CCC1C 11a_100000755817_100000749702 [0,0,0,1,0,0|2,0,0]=3 3493 B11R1.286 C=CCCC(=O)N1CCC1C 240690a_100000755817_100000749702 [0,0,0,1,0,0|2,0,0]=3 3494 B11R1.286 C=CCCC(=O)N1CCC1C 527a_100000755817_100000749702 [0,0,0,1,0,0|2,0,0]=3 3495 B11R1.286 C=CCNC(=O)N1CCC1C 273464a_100020586998_100000755817 [0,0,0,1,0,0|2,0,0]=3 3496 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,0,0,1,0,0|1,0,2]=4 3497 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,0,0,1,0,0|1,0,2]=4 3498 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,0,0,1,0,0|2,0,1]=4 3499 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,0,0,1,0,0|2,0,1]=4 3500 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,0,0,1,0,0|2,0,1]=4 3501 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [0,0,0,1,0,0|1,0,2]=4 3502 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [0,0,0,1,0,0|1,0,2]=4 3503 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [0,0,0,1,0,0|1,0,2]=4 3504 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,0,0,1,0,0|1,0,2]=4 3505 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,0,0,1,0,0|1,0,2]=4 3506 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,0,0,1,0,0|2,0,1]=4 3507 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,0,0,1,0,0|2,0,1]=4 3508 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,0,0,1,0,0|2,0,1]=4 3509 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,0,0,1,0,0|1,0,2]=4 3510 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,0,0,1,0,0|1,0,2]=4 3511 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,0,0,1,0,0|1,0,2]=4 3512 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,0,0,1,0,0|2,0,0]=3 3513 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100000210303_100009820769 [0,0,0,1,0,0|3,0,0]=4 3514 B11R1.465 CCCSC1C(=O)CCC1=O 62a_100009820769_100000210303 [0,0,0,1,0,0|3,0,0]=4 3515 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,0,0,1,0,0|2,0,0]=3 3516 B11R1.465 COCSC1C(=O)COC1=O 62a_100000766300_100000032967 [0,0,0,1,0,0|3,0,0]=4 3517 B11R1.465 CSCSC1C(=O)COC1=O 62a_100011218213_100000032967 [0,0,0,1,0,0|3,0,0]=4 3518 B11R1.465 NCCOC1C(=O)COC1=O 34a_100000210304_100000032967 [0,0,0,1,0,0|3,0,0]=4 3519 B11R1.465 O=C1COC(=O)C1NCCF 34a_100000724931_100000032967 [0,0,0,1,0,0|3,0,0]=4 3520 B11R1.465 O=C1COC(=O)C1NCCO 34a_100016990907_100000032967 [0,0,0,1,0,0|3,0,0]=4 3521 B11R1.465 O=C1COC(=O)C1OCCBr 34a_100000211926_100000032967 [0,0,0,1,0,0|3,0,0]=4 3522 B11R1.465 O=C1COC(=O)C1SCCF 62a_100011217306_100000032967 [0,0,0,1,0,0|3,0,0]=4 3523 B11R1.465 O=C1COC(=O)C1SCCO 62a_100000211926_100000032967 [0,0,0,1,0,0|3,0,0]=4 3524 B11R1.605 C=CCN1C(CCCC1C)C 2230a_100000210447_100000210623 [0,0,0,1,0,0|2,0,1]=4 3525 B11R1.605 C=CCN1C(CCCC1C)C 269982a_100000210447_100000210623 [0,0,0,1,0,0|2,0,1]=4 3526 B11R1.605 C=CCN1C(CCCC1C)C 34a_100000210447_100015514636 [0,0,0,1,0,0|2,0,1]=4 3527 B11R1.900 C=CCNC1(CCCCC1)C 2230a_100000741114_100000210623 [0,0,0,1,0,0|2,0,1]=4 3528 B11R1.900 C=CCNC1(CCCCC1)C 34a_100000741114_100015514636 [0,0,0,1,0,0|2,0,1]=4 3529 B11R1.900 C=CCOC1(CCCCC1)C 34a_100011215885_100015514636 [0,0,0,1,0,0|1,0,1]=3 3530 B11R1.900 C=CCOC1(CCCCC1)C 7a_100011215885_100015514636 [0,0,0,1,0,0|1,0,1]=3 3531 B11R1.900 C=CCOC1(CCOCC1)C 34a_100011827762_100015514636 [0,0,0,1,0,0|2,0,1]=4 3532 B11R1.900 C=CCOC1(CCOCC1)C 7a_100011827762_100015514636 [0,0,0,1,0,0|2,0,1]=4 3533 B11R1.900 C=CCOC1(CCSCC1)C 34a_200011004327_100015514636 [0,0,0,1,0,0|2,0,1]=4 3534 B11R1.900 C=CCOC1(CCSCC1)C 7a_200011004327_100015514636 [0,0,0,1,0,0|2,0,1]=4 3535 B11R1.900 CC1(CCCCC1)OCC=O 34a_100011215885_200009817547 [0,0,0,1,0,0|2,0,1]=4 3536 B11R1.900 CC1(CCCCC1)OCC=O 7a_100011215885_200015260668 [0,0,0,1,0,0|2,0,1]=4 3537 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,0,0,1,0,0|1,0,2]=4 3538 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,0,0,1,0,0|2,0,1]=4 3539 B11R1.1133 C=CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100015514636 [0,0,0,1,0,0|2,0,1]=4 3540 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [2,0,0,0,0,0|0,0,2]=4 3541 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [2,0,0,0,0,0|0,0,2]=4 3542 B8R0.1 C#CCCC(=O)CC=C 1458a_100000210193_100000753159 [2,0,0,0,0,0|0,0,2]=4 3543 B8R0.1 C#CCCC(=O)CC=C 1458a_100000692101_100000210623 [2,0,0,0,0,0|0,0,2]=4 3544 B8R0.1 C=CC=CC(=O)CCC 1458a_100016291481_100000210303 [2,0,0,0,0,0|1,0,1]=4 3545 B8R0.1 C=CCC(=O)C#CCC 1458a_100011827653_100000210623 [2,0,0,0,0,0|0,0,2]=4 3546 B8R0.1 C=CCC(=O)C/C=C/C 1458a_100000210193_100102629194 [2,0,0,0,0,0|0,0,2]=4 3547 B8R0.1 C=CCC(=O)C=CCC 1458a_100000212282_100000210623 [2,0,0,0,0,0|0,0,2]=4 3548 B8R0.1 C=CCC(=O)CC#CC 1458a_100000210193_100000748600 [2,0,0,0,0,0|0,0,2]=4 3549 B8R0.1 C=CCC(=O)CC=CC 1458a_100000210193_100000070051 [2,0,0,0,0,0|0,0,2]=4 3550 B8R0.1 C=CCC(=O)CC=CC 1458a_100121576822_100000210623 [2,0,0,0,0,0|0,0,2]=4 3551 B8R0.1 C=CCC(=O)CCC#N 1458a_100000210193_100011215226 [2,0,0,0,0,0|1,0,1]=4 3552 B8R0.1 C=CCC(=O)CCC#N 1458a_100011934036_100000210623 [2,0,0,0,0,0|1,0,1]=4 3553 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|0,0,0]=2 3554 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|0,0,0]=2 3555 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [2,0,0,0,0,0|1,0,0]=3 3556 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [2,0,0,0,0,0|1,0,0]=3 3557 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [2,0,0,0,0,0|1,0,0]=3 3558 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [2,0,0,0,0,0|1,0,0]=3 3559 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [2,0,0,0,0,0|1,0,0]=3 3560 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [2,0,0,0,0,0|1,0,0]=3 3561 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [2,0,0,0,0,0|1,0,0]=3 3562 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [2,0,0,0,0,0|1,0,0]=3 3563 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [2,0,0,0,0,0|1,0,0]=3 3564 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [2,0,0,0,0,0|1,0,0]=3 3565 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [2,0,0,0,0,0|1,0,0]=3 3566 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [2,0,0,0,0,0|1,0,0]=3 3567 B8R0.1 C=CCC(=O)NCCF 11a_100000724931_100000210193 [2,0,0,0,0,0|2,0,0]=4 3568 B8R0.1 C=CCC(=O)NCCF 1626a_100000724931_100000210193 [2,0,0,0,0,0|2,0,0]=4 3569 B8R0.1 C=CCC(=O)NCCF 240690a_100000724931_100000210193 [2,0,0,0,0,0|2,0,0]=4 3570 B8R0.1 C=CCC(=O)NCCF 527a_100000724931_100000210193 [2,0,0,0,0,0|2,0,0]=4 3571 B8R0.1 C=CCC(=O)NCCO 240690a_100000210304_100000210193 [2,0,0,0,0,0|2,0,0]=4 3572 B8R0.1 C=CCC(=O)NCCO 527a_100000210304_100000210193 [2,0,0,0,0,0|2,0,0]=4 3573 B8R0.1 C=CCC(=O)NNCC 22a_100000756455_100000210193 [2,0,0,0,0,0|2,0,0]=4 3574 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [2,0,0,0,0,0|0,0,2]=4 3575 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [2,0,0,0,0,0|0,0,2]=4 3576 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|1,0,0]=3 3577 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|1,0,0]=3 3578 B8R0.1 C=CCCC(=O)CCF 1458a_100000749702_100011217306 [2,0,0,0,0,0|2,0,0]=4 3579 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [2,0,0,0,0,0|2,0,0]=4 3580 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [2,0,0,0,0,0|2,0,0]=4 3581 B8R0.1 C=CCCC(=O)COC 1458a_100000210968_100000754431 [2,0,0,0,0,0|2,0,0]=4 3582 B8R0.1 C=CCCC(=O)CSC 1458a_100000184570_100000754431 [2,0,0,0,0,0|2,0,0]=4 3583 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [2,0,0,0,0,0|2,0,0]=4 3584 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [2,0,0,0,0,0|2,0,0]=4 3585 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [2,0,0,0,0,0|2,0,0]=4 3586 B8R0.1 C=CCN(C)CCCC 2230a_100000207549_100000210623 [2,0,0,0,0,0|2,0,0]=4 3587 B8R0.1 C=CCN(C)CCCC 2230a_100000225617_100000210211 [2,0,0,0,0,0|2,0,0]=4 3588 B8R0.1 C=CCN(C)CCCC 269982a_100000207549_100000210623 [2,0,0,0,0,0|2,0,0]=4 3589 B8R0.1 C=CCN(C)CCCC 269982a_100000225617_100000210211 [2,0,0,0,0,0|2,0,0]=4 3590 B8R0.1 C=CCNC(=O)CCC 1626a_100020586998_100000211992 [2,0,0,0,0,0|1,0,0]=3 3591 B8R0.1 C=CCNC(=O)CCC 240690a_100020586998_100000211992 [2,0,0,0,0,0|1,0,0]=3 3592 B8R0.1 C=CCNC(=O)CCC 527a_100020586998_100000211992 [2,0,0,0,0,0|1,0,0]=3 3593 B8R0.1 C=CCNC(=O)CCO 240690a_100020586998_100011216618 [2,0,0,0,0,0|2,0,0]=4 3594 B8R0.1 C=CCNC(=O)CNC 2230a_106832991635_100000183597 [2,0,0,0,0,0|2,0,0]=4 3595 B8R0.1 C=CCNC(=O)CNC 7a_106832991635_100000183597 [2,0,0,0,0,0|2,0,0]=4 3596 B8R0.1 C=CCNC(=O)COC 1626a_100020586998_100000210968 [2,0,0,0,0,0|2,0,0]=4 3597 B8R0.1 C=CCNC(=O)COC 240690a_100020586998_100000210968 [2,0,0,0,0,0|2,0,0]=4 3598 B8R0.1 C=CCNC(=O)COC 527a_100020586998_100000210968 [2,0,0,0,0,0|2,0,0]=4 3599 B8R0.1 C=CCNC(=O)CSC 1626a_100020586998_100000184570 [2,0,0,0,0,0|2,0,0]=4 3600 B8R0.1 C=CCNC(=O)CSC 240690a_100020586998_100000184570 [2,0,0,0,0,0|2,0,0]=4 3601 B8R0.1 C=CCNC(=O)CSC 527a_100020586998_100000184570 [2,0,0,0,0,0|2,0,0]=4 3602 B8R0.1 C=CCNC(=O)CSC 62a_100000183597_200000210301 [2,0,0,0,0,0|2,0,0]=4 3603 B8R0.1 C=CCNC(=O)CSC 62a_200000210301_100000183597 [2,0,0,0,0,0|2,0,0]=4 3604 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_100000183597_200025704644 [2,0,0,0,0,0|2,0,0]=4 3605 B8R0.1 C=CCNC(=O)CS[13CH3] 62a_200025704644_100000183597 [2,0,0,0,0,0|2,0,0]=4 3606 B8R0.1 C=CCNC(=O)NCC 2708a_100015525214_100020586998 [2,0,0,0,0,0|2,0,0]=4 3607 B8R0.1 C=CCNC(=O)NCC 273464a_100015525214_100020586998 [2,0,0,0,0,0|2,0,0]=4 3608 B8R0.1 C=CCNC(=O)NCC 273464a_100020586998_100015525214 [2,0,0,0,0,0|2,0,0]=4 3609 B8R0.1 C=CCNC(=O)NCC 512a_100015525214_100020586998 [2,0,0,0,0,0|2,0,0]=4 3610 B8R0.1 C=CCNC(=O)NCC 512a_100020586998_100015525214 [2,0,0,0,0,0|2,0,0]=4 3611 B8R0.1 C=CCOC(=O)CNC 2230a_106832991635_100000033060 [2,0,0,0,0,0|1,0,0]=3 3612 B8R0.1 C=CCOC(=O)CNC 34a_100102657272_100000033060 [2,0,0,0,0,0|1,0,0]=3 3613 B8R0.1 C=CCOC(=O)CNC 7a_106832991635_100000033060 [2,0,0,0,0,0|1,0,0]=3 3614 B8R0.1 C=CCOC(=O)COC 34a_100138415774_100000033060 [2,0,0,0,0,0|1,0,0]=3 3615 B8R0.1 C=CCOC(=O)CSC 62a_100000033060_200000210301 [2,0,0,0,0,0|1,0,0]=3 3616 B8R0.1 C=CCOC(=O)CSC 62a_200000210301_100000033060 [2,0,0,0,0,0|1,0,0]=3 3617 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_100000033060_200025704644 [2,0,0,0,0,0|1,0,0]=3 3618 B8R0.1 C=CCOC(=O)CS[13CH3] 62a_200025704644_100000033060 [2,0,0,0,0,0|1,0,0]=3 3619 B8R0.1 C=CCOC(C)CCC 34a_100000764384_100015514636 [2,0,0,0,0,0|1,0,1]=4 3620 B8R0.1 C=CCOC(C)CCC 34a_200000210373_100000766640 [2,0,0,0,0,0|1,0,1]=4 3621 B8R0.1 C=CCOC(C)CCC 7a_100000764384_100015514636 [2,0,0,0,0,0|1,0,1]=4 3622 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [2,0,0,0,0,0|1,0,0]=3 3623 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [2,0,0,0,0,0|1,0,0]=3 3624 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [2,0,0,0,0,0|1,0,0]=3 3625 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [2,0,0,0,0,0|1,0,0]=3 3626 B8R0.1 C=COC(=O)CSCF 62a_100000036128_100015361967 [2,0,0,0,0,0|2,0,0]=4 3627 B8R0.1 C=COC(=O)CSCF 62a_100015361967_100000036128 [2,0,0,0,0,0|2,0,0]=4 3628 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|0,0,2]=4 3629 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,1]=4 3630 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,1]=4 3631 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,1]=4 3632 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,1]=4 3633 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,1]=4 3634 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [2,0,0,0,0,0|1,0,1]=4 3635 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [2,0,0,0,0,0|1,0,1]=4 3636 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [2,0,0,0,0,0|1,0,1]=4 3637 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [2,0,0,0,0,0|1,0,1]=4 3638 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [2,0,0,0,0,0|1,0,1]=4 3639 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,2]=4 3640 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,2]=4 3641 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,1]=4 3642 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,1]=4 3643 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,1]=4 3644 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,1]=4 3645 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,1]=4 3646 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 3647 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 3648 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,1]=4 3649 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,1]=4 3650 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,1]=4 3651 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,1]=4 3652 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,1]=4 3653 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|1,0,1]=4 3654 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|1,0,1]=4 3655 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|1,0,1]=4 3656 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|1,0,1]=4 3657 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|1,0,1]=4 3658 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|1,0,1]=4 3659 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|1,0,1]=4 3660 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|1,0,1]=4 3661 B8R0.4 C#CCCCOCC=C 34a_100000215630_100015514636 [2,0,0,0,0,0|0,0,2]=4 3662 B8R0.4 C#CCCCOCC=C 34a_200000210373_100000695029 [2,0,0,0,0,0|0,0,2]=4 3663 B8R0.4 C#CCCCOCC=C 7a_100000215630_100015514636 [2,0,0,0,0,0|0,0,2]=4 3664 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [2,0,0,0,0,0|0,0,2]=4 3665 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [2,0,0,0,0,0|0,0,2]=4 3666 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [2,0,0,0,0,0|0,0,2]=4 3667 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 3668 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [2,0,0,0,0,0|1,0,1]=4 3669 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [2,0,0,0,0,0|1,0,1]=4 3670 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 3671 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [2,0,0,0,0,0|1,0,1]=4 3672 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [2,0,0,0,0,0|1,0,1]=4 3673 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 3674 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [2,0,0,0,0,0|1,0,1]=4 3675 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [2,0,0,0,0,0|1,0,1]=4 3676 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [2,0,0,0,0,0|1,0,1]=4 3677 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [2,0,0,0,0,0|1,0,1]=4 3678 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [2,0,0,0,0,0|1,0,1]=4 3679 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 3680 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [2,0,0,0,0,0|1,0,1]=4 3681 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [2,0,0,0,0,0|1,0,1]=4 3682 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 3683 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [2,0,0,0,0,0|1,0,1]=4 3684 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [2,0,0,0,0,0|1,0,1]=4 3685 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [2,0,0,0,0,0|1,0,1]=4 3686 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [2,0,0,0,0,0|1,0,1]=4 3687 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 3688 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [2,0,0,0,0,0|1,0,1]=4 3689 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [2,0,0,0,0,0|0,0,2]=4 3690 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [2,0,0,0,0,0|0,0,2]=4 3691 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [2,0,0,0,0,0|0,0,2]=4 3692 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|1,0,1]=4 3693 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 3694 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|1,0,1]=4 3695 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [2,0,0,0,0,0|1,0,1]=4 3696 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [2,0,0,0,0,0|1,0,1]=4 3697 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [2,0,0,0,0,0|1,0,1]=4 3698 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [2,0,0,0,0,0|1,0,1]=4 3699 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [2,0,0,0,0,0|1,0,1]=4 3700 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 3701 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [2,0,0,0,0,0|1,0,1]=4 3702 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [2,0,0,0,0,0|1,0,1]=4 3703 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [2,0,0,0,0,0|1,0,1]=4 3704 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [2,0,0,0,0,0|1,0,1]=4 3705 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [2,0,0,0,0,0|1,0,0]=3 3706 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [2,0,0,0,0,0|1,0,0]=3 3707 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [2,0,0,0,0,0|2,0,0]=4 3708 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [2,0,0,0,0,0|2,0,0]=4 3709 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [2,0,0,0,0,0|2,0,0]=4 3710 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [2,0,0,0,0,0|2,0,0]=4 3711 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [2,0,0,0,0,0|2,0,0]=4 3712 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [2,0,0,0,0,0|2,0,0]=4 3713 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [2,0,0,0,0,0|2,0,0]=4 3714 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [2,0,0,0,0,0|2,0,0]=4 3715 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [2,0,0,0,0,0|2,0,0]=4 3716 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [2,0,0,0,0,0|2,0,0]=4 3717 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [2,0,0,0,0,0|2,0,0]=4 3718 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [2,0,0,0,0,0|2,0,0]=4 3719 B8R0.4 C=CCOC/C=C\CC 34a_100016268518_100015514636 [2,0,0,0,0,0|0,0,2]=4 3720 B8R0.4 C=CCOC/C=C\CC 34a_200000210373_100103147603 [2,0,0,0,0,0|0,0,2]=4 3721 B8R0.4 C=CCOCC#CCC 34a_100000032950_100015514636 [2,0,0,0,0,0|0,0,2]=4 3722 B8R0.4 C=CCOCC#CCC 34a_200000210373_100009813939 [2,0,0,0,0,0|0,0,2]=4 3723 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [2,0,0,0,0,0|0,0,2]=4 3724 B8R0.4 C=CCOCCC#CC 34a_100000750427_100015514636 [2,0,0,0,0,0|0,0,2]=4 3725 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [2,0,0,0,0,0|1,0,0]=3 3726 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|0,0,0]=2 3727 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|0,0,0]=2 3728 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|0,0,0]=2 3729 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [2,0,0,0,0,0|1,0,0]=3 3730 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [2,0,0,0,0,0|1,0,0]=3 3731 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [2,0,0,0,0,0|1,0,0]=3 3732 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [2,0,0,0,0,0|1,0,0]=3 3733 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [2,0,0,0,0,0|1,0,0]=3 3734 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [2,0,0,0,0,0|1,0,0]=3 3735 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [2,0,0,0,0,0|1,0,0]=3 3736 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [2,0,0,0,0,0|1,0,0]=3 3737 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [2,0,0,0,0,0|1,0,0]=3 3738 B8R0.4 C=CCOCCCOC 34a_100000740835_100015514636 [2,0,0,0,0,0|1,0,0]=3 3739 B8R0.4 C=CCOCCCOC 34a_200000210373_100000740836 [2,0,0,0,0,0|1,0,0]=3 3740 B8R0.4 C=CCOCCCSC 34a_100000690336_100015514636 [2,0,0,0,0,0|1,0,0]=3 3741 B8R0.4 C=CCOCCCSC 7a_100000690336_100015514636 [2,0,0,0,0,0|1,0,0]=3 3742 B8R0.4 C=CCOCCOCC 34a_100000037705_100000210202 [2,0,0,0,0,0|1,0,0]=3 3743 B8R0.4 C=CCOCCOCC 34a_100000210136_100015514636 [2,0,0,0,0,0|1,0,0]=3 3744 B8R0.4 C=CCOCCOCC 34a_200000210373_100000210147 [2,0,0,0,0,0|1,0,0]=3 3745 B8R0.4 C=CCOCCOCC 7a_100000037705_100000210202 [2,0,0,0,0,0|1,0,0]=3 3746 B8R0.4 C=CCOCCOCC 7a_100000210136_100015514636 [2,0,0,0,0,0|1,0,0]=3 3747 B8R0.4 C=CCOCCOCF 34a_100000037705_100015361967 [2,0,0,0,0,0|2,0,0]=4 3748 B8R0.4 C=CCOCCOCF 7a_100000037705_100015361967 [2,0,0,0,0,0|2,0,0]=4 3749 B8R0.4 C=CCOCCSCC 34a_100000212035_100015514636 [2,0,0,0,0,0|1,0,0]=3 3750 B8R0.4 C=CCOCCSCC 34a_200000210373_100000757381 [2,0,0,0,0,0|1,0,0]=3 3751 B8R0.4 C=CCOCCSCC 7a_100000212035_100015514636 [2,0,0,0,0,0|1,0,0]=3 3752 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [2,0,0,0,0,0|0,1,0]=3 3753 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [2,0,0,0,0,0|0,1,0]=3 3754 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [2,0,0,0,0,0|1,1,0]=4 3755 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [2,0,0,0,0,0|1,1,0]=4 3756 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [2,0,0,0,0,0|1,1,0]=4 3757 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [2,0,0,0,0,0|1,1,0]=4 3758 B8R0.4 C=CCSCCCOC 62a_100000210623_100000709357 [2,0,0,0,0,0|1,1,0]=4 3759 B8R0.4 C=CCSCCCOC 62a_100000709357_100000210623 [2,0,0,0,0,0|1,1,0]=4 3760 B8R0.4 C=CCSCCOCC 62a_100000210147_100000210623 [2,0,0,0,0,0|1,1,0]=4 3761 B8R0.4 C=CCSCCOCC 62a_100000210623_100011215890 [2,0,0,0,0,0|1,1,0]=4 3762 B8R0.4 C=CCSCCSCC 62a_100000210623_100000757381 [2,0,0,0,0,0|1,1,0]=4 3763 B8R0.4 C=CCSCCSCC 62a_100000757381_100000210623 [2,0,0,0,0,0|1,1,0]=4 3764 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 3765 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [2,0,0,0,0,0|1,0,1]=4 3766 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 3767 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [2,0,0,0,0,0|1,0,1]=4 3768 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 3769 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [2,0,0,0,0,0|1,0,1]=4 3770 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [2,0,0,0,0,0|1,0,1]=4 3771 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [2,0,0,0,0,0|1,0,1]=4 3772 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [2,0,0,0,0,0|1,0,1]=4 3773 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [2,0,0,0,0,0|1,0,1]=4 3774 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 3775 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,2]=4 3776 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,2]=4 3777 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 3778 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 3779 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [2,0,0,0,0,0|2,0,0]=4 3780 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [2,0,0,0,0,0|1,0,1]=4 3781 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,0]=3 3782 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,0]=3 3783 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|1,0,1]=4 3784 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|0,0,2]=4 3785 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|0,0,2]=4 3786 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|0,0,2]=4 3787 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|1,0,1]=4 3788 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|1,0,1]=4 3789 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|1,0,1]=4 3790 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 3791 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,1]=4 3792 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,0,1]=4 3793 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [2,0,0,0,0,0|1,1,0]=4 3794 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [2,0,0,0,0,0|1,1,0]=4 3795 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [2,0,0,0,0,0|2,0,0]=4 3796 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [2,0,0,0,0,0|2,0,0]=4 3797 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [2,0,0,0,0,0|2,0,0]=4 3798 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [2,0,0,0,0,0|2,0,0]=4 3799 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [2,0,0,0,0,0|2,0,0]=4 3800 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [2,0,0,0,0,0|2,0,0]=4 3801 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [2,0,0,0,0,0|2,0,0]=4 3802 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [2,0,0,0,0,0|2,0,0]=4 3803 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [2,0,0,0,0,0|2,0,0]=4 3804 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [2,0,0,0,0,0|2,0,0]=4 3805 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [2,0,0,0,0,0|2,0,0]=4 3806 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [2,0,0,0,0,0|2,0,0]=4 3807 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [2,0,0,0,0,0|2,0,0]=4 3808 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [2,0,0,0,0,0|2,0,0]=4 3809 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [2,0,0,0,0,0|2,0,0]=4 3810 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 3811 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [2,0,0,0,0,0|0,0,2]=4 3812 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [2,0,0,0,0,0|0,0,2]=4 3813 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [2,0,0,0,0,0|0,0,2]=4 3814 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [2,0,0,0,0,0|1,0,1]=4 3815 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,0]=2 3816 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [2,0,0,0,0,0|1,0,0]=3 3817 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [2,0,0,0,0,0|1,0,0]=3 3818 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [2,0,0,0,0,0|1,0,0]=3 3819 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [2,0,0,0,0,0|1,0,0]=3 3820 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [2,0,0,0,0,0|1,0,0]=3 3821 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [2,0,0,0,0,0|1,0,0]=3 3822 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [2,0,0,0,0,0|1,0,0]=3 3823 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [2,0,0,0,0,0|2,0,0]=4 3824 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [2,0,0,0,0,0|2,0,0]=4 3825 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [2,0,0,0,0,0|2,0,0]=4 3826 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [2,0,0,0,0,0|2,0,0]=4 3827 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [2,0,0,0,0,0|2,0,0]=4 3828 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [2,0,0,0,0,0|2,0,0]=4 3829 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [2,0,0,0,0,0|2,0,0]=4 3830 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [2,0,0,0,0,0|2,0,0]=4 3831 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [2,0,0,0,0,0|2,0,0]=4 3832 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [2,0,0,0,0,0|2,0,0]=4 3833 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [2,0,0,0,0,0|2,0,0]=4 3834 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [2,0,0,0,0,0|2,0,0]=4 3835 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [2,0,0,0,0,0|2,0,0]=4 3836 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [2,0,0,0,0,0|2,0,0]=4 3837 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [2,0,0,0,0,0|2,0,0]=4 3838 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [2,0,0,0,0,0|2,0,0]=4 3839 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [2,0,0,0,0,0|2,0,0]=4 3840 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [2,0,0,0,0,0|2,0,0]=4 3841 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [2,0,0,0,0,0|2,0,0]=4 3842 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [2,0,0,0,0,0|2,0,0]=4 3843 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [2,0,0,0,0,0|0,0,2]=4 3844 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,1]=4 3845 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,1]=4 3846 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,1]=4 3847 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,1]=4 3848 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,1]=4 3849 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,1]=4 3850 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,1]=3 3851 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,1]=3 3852 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 3853 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 3854 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 3855 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 3856 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 3857 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 3858 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 3859 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 3860 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 3861 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 3862 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 3863 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 3864 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 3865 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 3866 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,1]=4 3867 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 3868 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 3869 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 3870 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 3871 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 3872 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 3873 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 3874 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 3875 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 3876 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,1]=4 3877 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,1]=4 3878 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 3879 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 3880 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 3881 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 3882 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 3883 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 3884 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 3885 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 3886 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,1]=4 3887 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,1]=4 3888 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,1]=4 3889 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 3890 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 3891 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 3892 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 3893 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 3894 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 3895 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 3896 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 3897 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 3898 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 3899 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 3900 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 3901 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 3902 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,1]=4 3903 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,1]=4 3904 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 3905 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 3906 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 3907 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 3908 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 3909 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 3910 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 3911 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 3912 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 3913 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,1]=4 3914 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,1]=4 3915 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 3916 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 3917 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 3918 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 3919 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 3920 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 3921 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 3922 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 3923 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 3924 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 3925 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 3926 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 3927 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 3928 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 3929 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 3930 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 3931 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 3932 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 3933 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 3934 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 3935 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 3936 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 3937 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 3938 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 3939 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 3940 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 3941 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 3942 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 3943 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 3944 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 3945 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 3946 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 3947 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 3948 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 3949 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 3950 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 3951 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 3952 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 3953 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 3954 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 3955 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 3956 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 3957 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 3958 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 3959 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 3960 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 3961 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 3962 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 3963 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 3964 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 3965 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 3966 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 3967 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 3968 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 3969 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 3970 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 3971 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 3972 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 3973 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 3974 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 3975 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 3976 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 3977 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 3978 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 3979 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 3980 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [1,1,0,0,0,0|0,0,2]=4 3981 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [1,1,0,0,0,0|0,0,2]=4 3982 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [1,1,0,0,0,0|0,0,2]=4 3983 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [1,1,0,0,0,0|0,0,2]=4 3984 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [1,1,0,0,0,0|0,0,2]=4 3985 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [1,1,0,0,0,0|0,0,2]=4 3986 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [1,1,0,0,0,0|0,0,2]=4 3987 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [1,1,0,0,0,0|0,0,2]=4 3988 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [1,1,0,0,0,0|0,0,2]=4 3989 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [1,1,0,0,0,0|0,0,2]=4 3990 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [1,1,0,0,0,0|0,0,2]=4 3991 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [1,1,0,0,0,0|0,0,2]=4 3992 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [1,1,0,0,0,0|0,0,2]=4 3993 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000210193_100010269958 [1,1,0,0,0,0|0,0,1]=3 3994 B10R0.1 C#CCCCCC(=O)CC=C 1458a_100000696528_100000210623 [1,1,0,0,0,0|0,0,1]=3 3995 B10R0.1 C#CCCCNC(=O)CC=C 11a_100000718082_100000210193 [1,1,0,0,0,0|0,0,2]=4 3996 B10R0.1 C#CCCCNC(=O)CC=C 1626a_100000718082_100000210193 [1,1,0,0,0,0|0,0,2]=4 3997 B10R0.1 C#CCCCNC(=O)CC=C 240690a_100000718082_100000210193 [1,1,0,0,0,0|0,0,2]=4 3998 B10R0.1 C#CCCCNC(=O)CC=C 527a_100000718082_100000210193 [1,1,0,0,0,0|0,0,2]=4 3999 B10R0.1 C#CCCNCC(=O)OC=C 34a_100000755551_100000036128 [1,1,0,0,0,0|0,0,2]=4 4000 B10R0.1 C#CCCOCC(=O)OC=C 34a_100011215631_100000036128 [1,1,0,0,0,0|0,0,2]=4 4001 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000036128_100000688953 [1,1,0,0,0,0|0,0,2]=4 4002 B10R0.1 C#CCCSCC(=O)OC=C 62a_100000688953_100000036128 [1,1,0,0,0,0|0,0,2]=4 4003 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000210193_100010402529 [1,1,0,0,0,0|0,0,2]=4 4004 B10R0.1 C#CCOCCC(=O)CC=C 1458a_100000693358_100000210623 [1,1,0,0,0,0|0,0,2]=4 4005 B10R0.1 C=CCC(=O)C/C=C/CCC 1458a_200016266809_100000210623 [1,1,0,0,0,0|0,0,1]=3 4006 B10R0.1 C=CCC(=O)C=CCCCC 1458a_100016266645_100000210623 [1,1,0,0,0,0|0,0,1]=3 4007 B10R0.1 C=CCC(=O)CC/C=C\CC 1458a_100000210193_100015370543 [1,1,0,0,0,0|0,0,1]=3 4008 B10R0.1 C=CCC(=O)CCCCC#N 1458a_100000210193_100000211819 [1,1,0,0,0,0|0,0,1]=3 4009 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,0]=2 4010 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,0]=2 4011 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [1,1,0,0,0,0|0,0,0]=2 4012 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [1,1,0,0,0,0|0,0,0]=2 4013 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [1,1,0,0,0,0|0,0,0]=2 4014 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [1,1,0,0,0,0|0,0,0]=2 4015 B10R0.1 C=CCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210623 [1,1,0,0,0,0|2,0,0]=4 4016 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [1,1,0,0,0,0|0,0,0]=2 4017 B10R0.1 C=CCC(=O)CCOCC#N 1458a_100000210193_200000047693 [1,1,0,0,0,0|1,0,1]=4 4018 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [1,1,0,0,0,0|0,0,0]=2 4019 B10R0.1 C=CCC(=O)CCOCCO 1458a_100000210193_100011215305 [1,1,0,0,0,0|1,0,0]=3 4020 B10R0.1 C=CCC(=O)CCOCCO 1458a_100011229844_100000210623 [1,1,0,0,0,0|1,0,0]=3 4021 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,1,0,0,0,0|0,0,0]=2 4022 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,1,0,0,0,0|0,0,0]=2 4023 B10R0.1 C=CCC(=O)COCCOC 1458a_100000211095_100000210623 [1,1,0,0,0,0|1,0,0]=3 4024 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [1,1,0,0,0,0|0,0,0]=2 4025 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,1,0,0,0,0|0,0,0]=2 4026 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,1,0,0,0,0|0,0,0]=2 4027 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,1,0,0,0,0|0,0,0]=2 4028 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,1,0,0,0,0|0,0,0]=2 4029 B10R0.1 C=CCC(=O)NCCCCO 240690a_100000750430_100000210193 [1,1,0,0,0,0|1,0,0]=3 4030 B10R0.1 C=CCC(=O)NCCCCO 527a_100000750430_100000210193 [1,1,0,0,0,0|1,0,0]=3 4031 B10R0.1 C=CCC(=O)NCCCOC 1626a_100150723488_100000210193 [1,1,0,0,0,0|1,0,0]=3 4032 B10R0.1 C=CCC(=O)NCCCOC 240690a_100150723488_100000210193 [1,1,0,0,0,0|1,0,0]=3 4033 B10R0.1 C=CCC(=O)NCCCOC 527a_100150723488_100000210193 [1,1,0,0,0,0|1,0,0]=3 4034 B10R0.1 C=CCC(=O)NCCCSC 11a_100000749238_100000210193 [1,1,0,0,0,0|1,0,0]=3 4035 B10R0.1 C=CCC(=O)NCCCSC 1626a_100000749238_100000210193 [1,1,0,0,0,0|1,0,0]=3 4036 B10R0.1 C=CCC(=O)NCCCSC 240690a_100000749238_100000210193 [1,1,0,0,0,0|1,0,0]=3 4037 B10R0.1 C=CCC(=O)NCCCSC 527a_100000749238_100000210193 [1,1,0,0,0,0|1,0,0]=3 4038 B10R0.1 C=CCC(=O)NCCOCC 11a_100011200944_100000210193 [1,1,0,0,0,0|1,0,0]=3 4039 B10R0.1 C=CCC(=O)NCCOCC 1626a_102516460346_100000210193 [1,1,0,0,0,0|1,0,0]=3 4040 B10R0.1 C=CCC(=O)NCCOCC 240690a_100011200944_100000210193 [1,1,0,0,0,0|1,0,0]=3 4041 B10R0.1 C=CCC(=O)NCCOCC 527a_100011200944_100000210193 [1,1,0,0,0,0|1,0,0]=3 4042 B10R0.1 C=CCC(=O)NCCSCC 11a_100000106463_100000210193 [1,1,0,0,0,0|1,0,0]=3 4043 B10R0.1 C=CCC(=O)NCCSCC 1626a_100000106463_100000210193 [1,1,0,0,0,0|1,0,0]=3 4044 B10R0.1 C=CCC(=O)NCCSCC 240690a_100000106463_100000210193 [1,1,0,0,0,0|1,0,0]=3 4045 B10R0.1 C=CCC(=O)NCCSCC 527a_100000106463_100000210193 [1,1,0,0,0,0|1,0,0]=3 4046 B10R0.1 C=CCC(=O)NNCCCC 22a_100025702795_100000210193 [1,1,0,0,0,0|1,0,0]=3 4047 B10R0.1 C=CCC(=O)NNCCOC 22a_100000741390_100000210193 [1,1,0,0,0,0|2,0,0]=4 4048 B10R0.1 C=CCC(C)COCCCC 34a_100009832082_100000210210 [1,1,0,0,0,0|1,0,1]=4 4049 B10R0.1 C=CCC(C)COCCCC 7a_100009832082_100000210211 [1,1,0,0,0,0|1,0,1]=4 4050 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100000210193_100011215482 [1,1,0,0,0,0|0,0,1]=3 4051 B10R0.1 C=CCCCCC(=O)CC=C 1458a_100011215552_100000210623 [1,1,0,0,0,0|0,0,1]=3 4052 B10R0.1 C=CCCCNC(=O)CC=C 11a_100000700776_100000210193 [1,1,0,0,0,0|0,0,2]=4 4053 B10R0.1 C=CCCCNC(=O)CC=C 1626a_100000700776_100000210193 [1,1,0,0,0,0|0,0,2]=4 4054 B10R0.1 C=CCCCNC(=O)CC=C 240690a_100000700776_100000210193 [1,1,0,0,0,0|0,0,2]=4 4055 B10R0.1 C=CCCCNC(=O)CC=C 527a_100000700776_100000210193 [1,1,0,0,0,0|0,0,2]=4 4056 B10R0.1 C=CCCNCC(=O)OC=C 2230a_100015191253_100000036128 [1,1,0,0,0,0|0,0,2]=4 4057 B10R0.1 C=CCCOCC(=O)OC=C 34a_100011205117_100000036128 [1,1,0,0,0,0|0,0,2]=4 4058 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000036128_100000754431 [1,1,0,0,0,0|0,0,2]=4 4059 B10R0.1 C=CCCSCC(=O)OC=C 62a_100000754431_100000036128 [1,1,0,0,0,0|0,0,2]=4 4060 B10R0.1 C=CCN(C)CCCCCC 2230a_100000225617_100000210314 [1,1,0,0,0,0|2,0,0]=4 4061 B10R0.1 C=CCN(C)CCCCCC 2230a_106256046315_100000210623 [1,1,0,0,0,0|2,0,0]=4 4062 B10R0.1 C=CCN(C)CCCCCC 269982a_100000225617_100000210757 [1,1,0,0,0,0|2,0,0]=4 4063 B10R0.1 C=CCN(C)CCCCCC 269982a_106256046315_100000210623 [1,1,0,0,0,0|2,0,0]=4 4064 B10R0.1 C=CCN(C)CCCCCF 2230a_100000225617_100000729378 [1,1,0,0,0,0|2,0,0]=4 4065 B10R0.1 C=CCN(C)CCCCCF 269982a_100000225617_100000729378 [1,1,0,0,0,0|2,0,0]=4 4066 B10R0.1 C=CCN(C)CCCCCO 2230a_100000225617_100000746330 [1,1,0,0,0,0|2,0,0]=4 4067 B10R0.1 C=CCN(C)CCCCCO 2230a_100000722520_100000210623 [1,1,0,0,0,0|2,0,0]=4 4068 B10R0.1 C=CCN(C)CCCCCO 269982a_100000225617_100000746330 [1,1,0,0,0,0|2,0,0]=4 4069 B10R0.1 C=CCN(C)CCCCCO 269982a_100000722520_100000210623 [1,1,0,0,0,0|2,0,0]=4 4070 B10R0.1 C=CCN(C)CCCCOC 2230a_100000225617_100000730899 [1,1,0,0,0,0|2,0,0]=4 4071 B10R0.1 C=CCN(C)CCCCOC 269982a_100000225617_100000730899 [1,1,0,0,0,0|2,0,0]=4 4072 B10R0.1 C=CCN(C)CCCOCC 2230a_100000225617_100012232248 [1,1,0,0,0,0|2,0,0]=4 4073 B10R0.1 C=CCN(C)CCCOCC 269982a_100000225617_100012232248 [1,1,0,0,0,0|2,0,0]=4 4074 B10R0.1 C=CCN(C)CCOCCC 2230a_100000225617_100011215938 [1,1,0,0,0,0|2,0,0]=4 4075 B10R0.1 C=CCN(C)CCOCCC 269982a_100000225617_100011215938 [1,1,0,0,0,0|2,0,0]=4 4076 B10R0.1 C=CCN(C)COCCCC 2230a_100000225617_100011995733 [1,1,0,0,0,0|2,0,0]=4 4077 B10R0.1 C=CCN(C)COCCCC 269982a_100000225617_100011995733 [1,1,0,0,0,0|2,0,0]=4 4078 B10R0.1 C=CCOCCC(=O)CC=C 1458a_200011217002_100000210623 [1,1,0,0,0,0|0,0,2]=4 4079 B10R0.1 C=CC[C@@H](C)OCCCCC 34a_100000731007_100000718602 [1,1,0,0,0,0|1,0,1]=4 4080 B10R0.1 C=CC[C@@H](C)OCCCCC 7a_100000731007_100000210326 [1,1,0,0,0,0|1,0,1]=4 4081 B10R0.1 C=CC[C@@H](N)COCCCC 34a_100020615467_100000210210 [1,1,0,0,0,0|1,0,1]=4 4082 B10R0.1 C=COC(=O)CNCC#CC 2230a_100000685387_100000036128 [1,1,0,0,0,0|0,0,2]=4 4083 B10R0.1 C=COC(=O)CNCC#CC 34a_100000685387_100000036128 [1,1,0,0,0,0|0,0,2]=4 4084 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,1,0,0,0,0|0,0,0]=2 4085 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [1,1,0,0,0,0|1,0,0]=3 4086 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [1,1,0,0,0,0|1,0,0]=3 4087 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [1,1,0,0,0,0|1,0,0]=3 4088 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [1,1,0,0,0,0|1,0,0]=3 4089 B10R0.1 C=COC(=O)COC/C=C/C 34a_100016270725_100000036128 [1,1,0,0,0,0|0,0,2]=4 4090 B10R0.1 C=COC(=O)COCC#CC 34a_100000761923_100000036128 [1,1,0,0,0,0|0,0,2]=4 4091 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [1,1,0,0,0,0|1,0,0]=3 4092 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,1,0,0,0,0|0,0,0]=2 4093 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [1,1,0,0,0,0|1,0,0]=3 4094 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [1,1,0,0,0,0|1,0,0]=3 4095 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [1,1,0,0,0,0|1,0,0]=3 4096 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [1,1,0,0,0,0|1,0,0]=3 4097 B10R0.1 C=COC(=O)COCCON 34a_100000700252_100000036128 [1,1,0,0,0,0|2,0,0]=4 4098 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [1,1,0,0,0,0|1,0,0]=3 4099 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100000036128_100102629194 [1,1,0,0,0,0|0,0,2]=4 4100 B10R0.1 C=COC(=O)CSC/C=C/C 62a_100102629194_100000036128 [1,1,0,0,0,0|0,0,2]=4 4101 B10R0.1 C=COC(=O)CSCC#CC 62a_100000036128_100000748600 [1,1,0,0,0,0|0,0,2]=4 4102 B10R0.1 C=COC(=O)CSCC#CC 62a_100000748600_100000036128 [1,1,0,0,0,0|0,0,2]=4 4103 B10R0.1 C=COC(=O)CSCC=CC 62a_100000036128_100000070051 [1,1,0,0,0,0|0,0,2]=4 4104 B10R0.1 C=COC(=O)CSCC=CC 62a_100000070051_100000036128 [1,1,0,0,0,0|0,0,2]=4 4105 B10R0.1 C=COC(=O)CSCCC#N 62a_100000036128_100011215226 [1,1,0,0,0,0|1,0,1]=4 4106 B10R0.1 C=COC(=O)CSCCC#N 62a_100011215226_100000036128 [1,1,0,0,0,0|1,0,1]=4 4107 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,1,0,0,0,0|0,0,0]=2 4108 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,1,0,0,0,0|0,0,0]=2 4109 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [1,1,0,0,0,0|1,0,0]=3 4110 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [1,1,0,0,0,0|1,0,0]=3 4111 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [1,1,0,0,0,0|1,0,0]=3 4112 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [1,1,0,0,0,0|1,0,0]=3 4113 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [1,1,0,0,0,0|1,0,0]=3 4114 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [1,1,0,0,0,0|1,0,0]=3 4115 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [1,1,0,0,0,0|1,0,0]=3 4116 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [1,1,0,0,0,0|1,0,0]=3 4117 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [1,1,0,0,0,0|1,0,0]=3 4118 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [1,1,0,0,0,0|1,0,0]=3 4119 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,2]=4 4120 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,1,0,0,0,0|0,0,2]=4 4121 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,1,0,0,0,0|0,0,2]=4 4122 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,1,0,0,0,0|0,0,2]=4 4123 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,1,0,0,0,0|0,0,2]=4 4124 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|0,0,2]=4 4125 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|0,0,2]=4 4126 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 4127 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 4128 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 4129 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|0,0,2]=4 4130 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,2]=4 4131 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,2]=4 4132 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|0,0,2]=4 4133 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|0,0,2]=4 4134 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [1,1,0,0,0,0|1,0,1]=4 4135 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [1,1,0,0,0,0|1,0,1]=4 4136 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [1,1,0,0,0,0|1,0,1]=4 4137 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [1,1,0,0,0,0|1,0,1]=4 4138 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [1,1,0,0,0,0|1,0,1]=4 4139 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,2]=4 4140 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,2]=4 4141 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|1,0,1]=4 4142 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|1,0,1]=4 4143 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|1,0,1]=4 4144 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|1,0,1]=4 4145 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|1,0,1]=4 4146 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4147 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4148 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,1]=4 4149 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [1,1,0,0,0,0|1,0,1]=4 4150 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [1,1,0,0,0,0|1,0,1]=4 4151 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [1,1,0,0,0,0|1,0,1]=4 4152 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [1,1,0,0,0,0|1,0,1]=4 4153 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [1,1,0,0,0,0|1,0,1]=4 4154 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [1,1,0,0,0,0|1,0,1]=4 4155 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [1,1,0,0,0,0|1,0,1]=4 4156 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [1,1,0,0,0,0|1,0,1]=4 4157 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|0,0,2]=4 4158 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|0,0,2]=4 4159 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|0,0,2]=4 4160 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|0,0,2]=4 4161 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|1,0,1]=4 4162 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,1,0,0,0,0|1,0,1]=4 4163 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,1,0,0,0,0|1,0,1]=4 4164 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,1,0,0,0,0|1,0,1]=4 4165 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 4166 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 4167 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 4168 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|1,0,1]=4 4169 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|1,0,1]=4 4170 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,1,0,0,0,0|1,0,1]=4 4171 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,1,0,0,0,0|1,0,1]=4 4172 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,1,0,0,0,0|1,0,1]=4 4173 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,1,0,0,0,0|1,0,1]=4 4174 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,1,0,0,0,0|1,0,1]=4 4175 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,1,0,0,0,0|1,0,1]=4 4176 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,1,0,0,0,0|1,0,1]=4 4177 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,1,0,0,0,0|1,0,1]=4 4178 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 4179 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 4180 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 4181 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 4182 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|1,0,1]=4 4183 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|1,0,1]=4 4184 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|0,0,2]=4 4185 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|0,0,2]=4 4186 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|1,0,1]=4 4187 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|1,0,1]=4 4188 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|1,0,1]=4 4189 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [1,1,0,0,0,0|2,0,0]=4 4190 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [1,1,0,0,0,0|2,0,0]=4 4191 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|0,0,1]=3 4192 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|0,0,1]=3 4193 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [1,1,0,0,0,0|1,0,1]=4 4194 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [1,1,0,0,0,0|1,0,1]=4 4195 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [1,1,0,0,0,0|1,0,1]=4 4196 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [1,1,0,0,0,0|1,0,1]=4 4197 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [1,1,0,0,0,0|1,0,1]=4 4198 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|0,0,2]=4 4199 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|0,0,2]=4 4200 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|0,0,2]=4 4201 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,1,0,0,0,0|1,0,1]=4 4202 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,1]=4 4203 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,1]=4 4204 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,1,0,0,0,0|1,0,1]=4 4205 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,1,0,0,0,0|1,0,1]=4 4206 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 4207 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 4208 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,1]=4 4209 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,1]=4 4210 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,1]=4 4211 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 4212 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 4213 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|0,0,1]=3 4214 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|0,0,1]=3 4215 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [1,1,0,0,0,0|1,0,1]=4 4216 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|0,0,2]=4 4217 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|0,0,2]=4 4218 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|0,0,2]=4 4219 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,1,0,0,0,0|1,0,1]=4 4220 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,0,1]=4 4221 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 4222 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 4223 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,0,1]=4 4224 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,0,1]=4 4225 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,0,1]=4 4226 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [1,1,0,0,0,0|2,0,0]=4 4227 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [1,1,0,0,0,0|2,0,0]=4 4228 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|0,0,1]=3 4229 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|0,0,1]=3 4230 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|1,0,1]=4 4231 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [1,1,0,0,0,0|1,0,1]=4 4232 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [1,1,0,0,0,0|1,0,1]=4 4233 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [1,1,0,0,0,0|1,0,1]=4 4234 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [1,1,0,0,0,0|1,0,1]=4 4235 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|0,0,2]=4 4236 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|1,0,1]=4 4237 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|1,0,1]=4 4238 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|1,0,1]=4 4239 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|0,0,1]=3 4240 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|1,0,1]=4 4241 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|1,0,1]=4 4242 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|0,0,1]=3 4243 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|0,0,1]=3 4244 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,1]=4 4245 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,1]=4 4246 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|0,0,1]=3 4247 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|0,0,1]=3 4248 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|0,0,1]=3 4249 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|0,0,1]=3 4250 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|0,0,1]=3 4251 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|0,0,1]=3 4252 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|0,0,1]=3 4253 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|0,0,1]=3 4254 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|0,0,1]=3 4255 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,1,0,0,0,0|1,0,1]=4 4256 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|0,0,1]=3 4257 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|0,0,1]=3 4258 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,1,0,0,0,0|1,0,1]=4 4259 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,1,0,0,0,0|1,0,1]=4 4260 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,1,0,0,0,0|1,0,1]=4 4261 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,1]=4 4262 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,1]=4 4263 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,1,0,0,0,0|1,0,1]=4 4264 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,1,0,0,0,0|1,0,1]=4 4265 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,1,0,0,0,0|1,0,1]=4 4266 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,1,0,0,0,0|1,0,1]=4 4267 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|1,0,1]=4 4268 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|1,0,1]=4 4269 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,1,0,0,0,0|1,0,1]=4 4270 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,1,0,0,0,0|1,0,1]=4 4271 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,1,0,0,0,0|1,0,1]=4 4272 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,1,0,0,0,0|1,0,1]=4 4273 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,1,0,0,0,0|1,0,1]=4 4274 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,1,0,0,0,0|1,0,1]=4 4275 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,1,0,0,0,0|1,0,1]=4 4276 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,1,0,0,0,0|1,0,1]=4 4277 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|1,0,1]=4 4278 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|1,0,1]=4 4279 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|1,0,1]=4 4280 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|1,0,1]=4 4281 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|1,0,1]=4 4282 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|1,0,1]=4 4283 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|1,0,1]=4 4284 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|1,0,1]=4 4285 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|1,0,1]=4 4286 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|1,0,1]=4 4287 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|1,0,1]=4 4288 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|1,0,1]=4 4289 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|1,0,1]=4 4290 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|1,0,1]=4 4291 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|1,0,1]=4 4292 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,1,0,0,0,0|1,0,1]=4 4293 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,1,0,0,0,0|1,0,1]=4 4294 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|1,0,1]=4 4295 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|1,0,1]=4 4296 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,1,0,0,0,0|1,0,1]=4 4297 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,1,0,0,0,0|1,0,1]=4 4298 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,1,0,0,0,0|1,0,1]=4 4299 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,1,0,0,0,0|1,0,1]=4 4300 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,1,0,0,0,0|1,0,1]=4 4301 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,1,0,0,0,0|1,0,1]=4 4302 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|1,0,1]=4 4303 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [1,1,0,0,0,0|1,0,1]=4 4304 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [1,1,0,0,0,0|1,0,1]=4 4305 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [1,1,0,0,0,0|1,0,1]=4 4306 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [1,1,0,0,0,0|1,0,1]=4 4307 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|1,0,1]=4 4308 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|1,0,1]=4 4309 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|1,0,1]=4 4310 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|0,0,1]=3 4311 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|0,0,1]=3 4312 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|1,0,1]=4 4313 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,1,0,0,0,0|1,0,1]=4 4314 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,1,0,0,0,0|1,0,1]=4 4315 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,1,0,0,0,0|1,0,1]=4 4316 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|1,0,1]=4 4317 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [1,1,0,0,0,0|1,0,1]=4 4318 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [1,1,0,0,0,0|1,0,1]=4 4319 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [1,1,0,0,0,0|1,0,1]=4 4320 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [1,1,0,0,0,0|1,0,1]=4 4321 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|1,0,1]=4 4322 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|1,0,1]=4 4323 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|1,0,1]=4 4324 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,1,0,0,0,0|1,0,1]=4 4325 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|1,0,1]=4 4326 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [1,1,0,0,0,0|1,0,1]=4 4327 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [1,1,0,0,0,0|1,0,1]=4 4328 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [1,1,0,0,0,0|1,0,1]=4 4329 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [1,1,0,0,0,0|1,0,1]=4 4330 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [1,1,0,0,0,0|1,0,1]=4 4331 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [1,1,0,0,0,0|1,0,1]=4 4332 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [1,1,0,0,0,0|1,0,1]=4 4333 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [1,1,0,0,0,0|1,0,1]=4 4334 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [1,1,0,0,0,0|1,0,1]=4 4335 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|1,0,1]=4 4336 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|1,0,1]=4 4337 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|1,0,1]=4 4338 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|1,0,1]=4 4339 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [1,1,0,0,0,0|0,0,2]=4 4340 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [1,1,0,0,0,0|0,0,2]=4 4341 B10R0.2 C=CCC(=O)C=C(C)CCC 1458a_100020676950_100000210623 [1,1,0,0,0,0|0,0,2]=4 4342 B10R0.2 C=CCC(=O)CC(=C)CCC 1458a_100000138376_100000210623 [1,1,0,0,0,0|0,0,1]=3 4343 B10R0.2 C=CCC(=O)CC(=O)CCC 1458a_100000210193_100000747444 [1,1,0,0,0,0|0,0,1]=3 4344 B10R0.2 C=CCC(=O)CC(=O)NCC 1458a_100000210193_100000183381 [1,1,0,0,0,0|1,0,1]=4 4345 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [1,1,0,0,0,0|1,0,1]=4 4346 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [1,1,0,0,0,0|1,0,1]=4 4347 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [1,1,0,0,0,0|0,0,0]=2 4348 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [1,1,0,0,0,0|0,0,0]=2 4349 B10R0.2 C=CCC(=O)CC(C)SCC 1458a_200011311441_100000210623 [1,1,0,0,0,0|1,0,0]=3 4350 B10R0.2 C=CCC(=O)CS(=O)CCC 1458a_100011387404_100000210623 [1,1,0,0,0,0|1,0,0]=3 4351 B10R0.2 C=CCC(=O)NC(C)CCC 11a_100000741246_100000210193 [1,1,0,0,0,0|1,0,0]=3 4352 B10R0.2 C=CCC(=O)NC(C)CCC 1626a_100000741246_100000210193 [1,1,0,0,0,0|1,0,0]=3 4353 B10R0.2 C=CCC(=O)NC(C)CCC 240690a_100000741246_100000210193 [1,1,0,0,0,0|1,0,0]=3 4354 B10R0.2 C=CCC(=O)NC(C)CCC 527a_100000741246_100000210193 [1,1,0,0,0,0|1,0,0]=3 4355 B10R0.2 C=CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210193 [1,1,0,0,0,0|2,0,0]=4 4356 B10R0.2 C=CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210193 [1,1,0,0,0,0|2,0,0]=4 4357 B10R0.2 C=CCC(=O)N[C@H](C)COC 11a_100000764878_100000210193 [1,1,0,0,0,0|2,0,0]=4 4358 B10R0.2 C=CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210193 [1,1,0,0,0,0|2,0,0]=4 4359 B10R0.2 C=CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210193 [1,1,0,0,0,0|2,0,0]=4 4360 B10R0.2 C=CCC(=O)N[C@H](C)COC 527a_100000764878_100000210193 [1,1,0,0,0,0|2,0,0]=4 4361 B10R0.2 C=CCN(C)CC(C)CCC 2230a_100000225617_100011216630 [1,1,0,0,0,0|2,0,0]=4 4362 B10R0.2 C=CCN(C)CC(C)CCC 269982a_100000225617_100011216630 [1,1,0,0,0,0|2,0,0]=4 4363 B10R0.2 C=CCN(C)CC(C)CCC 270004a_100000225617_100000243154 [1,1,0,0,0,0|2,0,0]=4 4364 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [1,1,0,0,0,0|0,0,1]=3 4365 B10R0.2 C=COC(=O)CC(=O)CCO 1458a_100011216618_100000036128 [1,1,0,0,0,0|1,0,1]=4 4366 B10R0.2 C=COC(=O)CC(=O)COC 1458a_100000210968_100000036128 [1,1,0,0,0,0|1,0,1]=4 4367 B10R0.2 C=COC(=O)CC(=O)CSC 1458a_100000184570_100000036128 [1,1,0,0,0,0|1,0,1]=4 4368 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [1,1,0,0,0,0|1,0,0]=3 4369 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [1,1,0,0,0,0|1,0,0]=3 4370 B10R0.2 C=COC(=O)CN(C)CCO 2230a_100000210263_100000036128 [1,1,0,0,0,0|2,0,0]=4 4371 B10R0.2 C=COC(=O)CN(C)CCO 269982a_100000210263_100000036128 [1,1,0,0,0,0|2,0,0]=4 4372 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [1,1,0,0,0,0|0,0,2]=4 4373 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [1,1,0,0,0,0|0,0,2]=4 4374 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [1,1,0,0,0,0|0,0,2]=4 4375 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|0,0,2]=4 4376 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|0,0,2]=4 4377 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [1,1,0,0,0,0|1,0,1]=4 4378 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [1,1,0,0,0,0|1,0,1]=4 4379 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [1,1,0,0,0,0|1,0,1]=4 4380 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [1,1,0,0,0,0|1,0,1]=4 4381 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [1,1,0,0,0,0|1,0,1]=4 4382 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|1,0,1]=4 4383 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|1,0,1]=4 4384 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|1,0,1]=4 4385 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|1,0,1]=4 4386 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|1,0,1]=4 4387 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|1,0,1]=4 4388 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|1,0,1]=4 4389 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|1,0,1]=4 4390 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [1,1,0,0,0,0|1,0,1]=4 4391 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [1,1,0,0,0,0|1,0,1]=4 4392 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [1,1,0,0,0,0|1,0,1]=4 4393 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [1,1,0,0,0,0|1,0,1]=4 4394 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [1,1,0,0,0,0|1,0,1]=4 4395 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [1,1,0,0,0,0|1,0,1]=4 4396 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [1,1,0,0,0,0|1,0,1]=4 4397 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [1,1,0,0,0,0|1,0,1]=4 4398 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [1,1,0,0,0,0|1,0,1]=4 4399 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [1,1,0,0,0,0|1,0,1]=4 4400 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [1,1,0,0,0,0|1,0,1]=4 4401 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [1,1,0,0,0,0|1,0,1]=4 4402 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [1,1,0,0,0,0|1,0,1]=4 4403 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [1,1,0,0,0,0|1,0,1]=4 4404 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [1,1,0,0,0,0|1,0,1]=4 4405 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [1,1,0,0,0,0|1,0,1]=4 4406 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [1,1,0,0,0,0|1,0,1]=4 4407 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [1,1,0,0,0,0|1,0,1]=4 4408 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [1,1,0,0,0,0|0,0,2]=4 4409 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [1,1,0,0,0,0|0,0,2]=4 4410 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [1,1,0,0,0,0|0,0,2]=4 4411 B10R0.3 C=CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210623 [1,1,0,0,0,0|0,0,2]=4 4412 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [1,1,0,0,0,0|0,0,2]=4 4413 B10R0.3 C=CCC(=O)CCCC(=O)C 1458a_100000210193_100011215641 [1,1,0,0,0,0|0,0,1]=3 4414 B10R0.3 C=CCC(=O)CCCC(=O)N 1458a_100000210193_100102525003 [1,1,0,0,0,0|1,0,1]=4 4415 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,1,0,0,0,0|0,0,0]=2 4416 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,1,0,0,0,0|0,0,0]=2 4417 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,1,0,0,0,0|0,0,0]=2 4418 B10R0.3 C=CCC(=O)CCCN(C)C 1458a_100000210193_100000695564 [1,1,0,0,0,0|1,0,0]=3 4419 B10R0.3 C=CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210623 [1,1,0,0,0,0|2,0,0]=4 4420 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000183196_100000210623 [1,1,0,0,0,0|1,0,1]=4 4421 B10R0.3 C=CCC(=O)CCNC(=O)C 1458a_100000210193_100000189650 [1,1,0,0,0,0|1,0,1]=4 4422 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [1,1,0,0,0,0|1,0,1]=4 4423 B10R0.3 C=CCC(=O)CCOC(C)C 1458a_100000210193_100000211751 [1,1,0,0,0,0|1,0,0]=3 4424 B10R0.3 C=CCC(=O)CCSC(=O)C 1458a_100000048949_100000210623 [1,1,0,0,0,0|1,0,1]=4 4425 B10R0.3 C=CCC(=O)CCSC(C)C 1458a_100000210193_100000730970 [1,1,0,0,0,0|1,0,0]=3 4426 B10R0.3 C=CCC(=O)COCC(C)C 1458a_100011223364_100000210623 [1,1,0,0,0,0|1,0,0]=3 4427 B10R0.3 C=CCC(=O)NCCC(C)C 11a_100000210545_100000210193 [1,1,0,0,0,0|1,0,0]=3 4428 B10R0.3 C=CCC(=O)NCCC(C)C 1626a_100000210545_100000210193 [1,1,0,0,0,0|1,0,0]=3 4429 B10R0.3 C=CCC(=O)NCCC(C)C 240690a_100000210545_100000210193 [1,1,0,0,0,0|1,0,0]=3 4430 B10R0.3 C=CCC(=O)NCCC(C)C 527a_100000210545_100000210193 [1,1,0,0,0,0|1,0,0]=3 4431 B10R0.3 C=CCC(=O)NCCC(C)O 240690a_200000755665_100000210193 [1,1,0,0,0,0|1,0,0]=3 4432 B10R0.3 C=CCC(=O)NCCC(C)O 527a_200000755665_100000210193 [1,1,0,0,0,0|1,0,0]=3 4433 B10R0.3 C=CCC(=O)NCCN(C)C 240690a_100000210585_100000210193 [1,1,0,0,0,0|2,0,0]=4 4434 B10R0.3 C=CCC(=O)NCCN(C)C 527a_100000210585_100000210193 [1,1,0,0,0,0|2,0,0]=4 4435 B10R0.3 C=CCC(=O)NNCC(C)C 22a_100000696102_100000210193 [1,1,0,0,0,0|2,0,0]=4 4436 B10R0.3 C=CCC(=O)NNCC(C)O 22a_200000730056_100000210193 [1,1,0,0,0,0|2,0,0]=4 4437 B10R0.3 C=CCN(C)CCCC(C)C 2230a_100000225617_100011214892 [1,1,0,0,0,0|2,0,0]=4 4438 B10R0.3 C=CCN(C)CCCC(C)C 269982a_100000225617_100011214892 [1,1,0,0,0,0|2,0,0]=4 4439 B10R0.3 C=CCN(C)CCCC(C)O 2230a_100000225617_200000718107 [1,1,0,0,0,0|2,0,0]=4 4440 B10R0.3 C=CCN(C)CCCC(C)O 269982a_100000225617_200000718107 [1,1,0,0,0,0|2,0,0]=4 4441 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [1,1,0,0,0,0|1,0,0]=3 4442 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [1,1,0,0,0,0|1,0,0]=3 4443 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [1,1,0,0,0,0|1,0,0]=3 4444 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [1,1,0,0,0,0|1,0,0]=3 4445 B10R0.3 C=COC(=O)CNCC(F)F 34a_100000765723_100000036128 [1,1,0,0,0,0|2,0,0]=4 4446 B10R0.3 C=COC(=O)COCC(=C)C 34a_100000210245_100000036128 [1,1,0,0,0,0|1,0,1]=4 4447 B10R0.3 C=COC(=O)COCC(=O)C 34a_100000211253_100000036128 [1,1,0,0,0,0|1,0,1]=4 4448 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [1,1,0,0,0,0|1,0,0]=3 4449 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [1,1,0,0,0,0|1,0,0]=3 4450 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [1,1,0,0,0,0|1,0,0]=3 4451 B10R0.3 C=COC(=O)COCC(F)F 34a_100000743014_100000036128 [1,1,0,0,0,0|2,0,0]=4 4452 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [1,1,0,0,0,0|1,0,0]=3 4453 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [1,1,0,0,0,0|1,0,0]=3 4454 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000036128_100000211660 [1,1,0,0,0,0|1,0,1]=4 4455 B10R0.3 C=COC(=O)CSCC(=C)C 62a_100000748629_100000036128 [1,1,0,0,0,0|1,0,1]=4 4456 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [1,1,0,0,0,0|1,0,0]=3 4457 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [1,1,0,0,0,0|1,0,0]=3 4458 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [1,1,0,0,0,0|1,0,0]=3 4459 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [1,1,0,0,0,0|1,0,0]=3 4460 B10R0.3 C=COC(=O)CSCC(F)F 62a_100000036128_100011934356 [1,1,0,0,0,0|2,0,0]=4 4461 B10R0.3 C=COC(=O)CSCC(F)F 62a_100011934356_100000036128 [1,1,0,0,0,0|2,0,0]=4 4462 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [1,1,0,0,0,0|1,0,0]=3 4463 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [1,1,0,0,0,0|1,0,0]=3 4464 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [1,1,0,0,0,0|1,0,1]=4 4465 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [1,1,0,0,0,0|1,0,1]=4 4466 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [1,1,0,0,0,0|1,0,1]=4 4467 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [1,1,0,0,0,0|1,0,1]=4 4468 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [1,1,0,0,0,0|1,0,1]=4 4469 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,1,0,0,0,0|1,0,1]=4 4470 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,1,0,0,0,0|1,0,1]=4 4471 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,1,0,0,0,0|1,0,1]=4 4472 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [1,1,0,0,0,0|1,0,1]=4 4473 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [1,1,0,0,0,0|1,0,1]=4 4474 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [1,1,0,0,0,0|1,0,1]=4 4475 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [1,1,0,0,0,0|1,0,1]=4 4476 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|1,0,1]=4 4477 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|0,0,2]=4 4478 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|0,0,2]=4 4479 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|0,0,2]=4 4480 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|0,0,2]=4 4481 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|0,0,2]=4 4482 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 4483 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 4484 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,1]=4 4485 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,1]=4 4486 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|0,0,2]=4 4487 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|0,0,2]=4 4488 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|0,0,2]=4 4489 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|1,0,1]=4 4490 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|1,0,1]=4 4491 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,1]=4 4492 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,1]=4 4493 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|1,0,1]=4 4494 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|1,0,1]=4 4495 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|1,0,1]=4 4496 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|1,0,1]=4 4497 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|1,0,1]=4 4498 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|1,0,1]=4 4499 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|1,0,1]=4 4500 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|1,0,1]=4 4501 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|1,0,1]=4 4502 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|1,0,1]=4 4503 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|1,0,1]=4 4504 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|1,0,1]=4 4505 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|1,0,1]=4 4506 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|1,0,1]=4 4507 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|1,0,1]=4 4508 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|1,0,1]=4 4509 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|1,0,1]=4 4510 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|1,0,1]=4 4511 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,1,0,0,0,0|1,0,1]=4 4512 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|1,0,1]=4 4513 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,1,0,0,0,0|1,0,1]=4 4514 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|1,0,1]=4 4515 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [1,1,0,0,0,0|0,0,2]=4 4516 B10R0.6 C#CCCCC(=O)CC(=C)F 1458a_100000690238_100009893438 [1,1,0,0,0,0|0,0,2]=4 4517 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [1,1,0,0,0,0|0,0,2]=4 4518 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [1,1,0,0,0,0|0,0,2]=4 4519 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [1,1,0,0,0,0|0,0,2]=4 4520 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [1,1,0,0,0,0|1,0,1]=4 4521 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|0,0,0]=2 4522 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [1,1,0,0,0,0|1,0,0]=3 4523 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [1,1,0,0,0,0|1,0,0]=3 4524 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,1,0,0,0,0|1,0,0]=3 4525 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,1,0,0,0,0|1,0,0]=3 4526 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [1,1,0,0,0,0|1,0,0]=3 4527 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [1,1,0,0,0,0|1,0,0]=3 4528 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [1,1,0,0,0,0|2,0,0]=4 4529 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [1,1,0,0,0,0|1,0,0]=3 4530 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 4531 B10R0.6 C=C(C)CN(C)CCCCC 2230a_100000225649_100000210326 [1,1,0,0,0,0|2,0,0]=4 4532 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000223495_100000748629 [1,1,0,0,0,0|2,0,0]=4 4533 B10R0.6 C=C(C)CN(C)CCCCC 269982a_100000225649_100000210215 [1,1,0,0,0,0|2,0,0]=4 4534 B10R0.6 C=C(F)CC(=O)C#CCCC 1458a_200011218047_100009893438 [1,1,0,0,0,0|0,0,2]=4 4535 B10R0.6 C=C(F)CC(=O)C/C=C/CC 1458a_100016274230_100009893438 [1,1,0,0,0,0|0,0,2]=4 4536 B10R0.6 C=C(F)CC(=O)C=CCCC 1458a_100000212230_100009893438 [1,1,0,0,0,0|0,0,2]=4 4537 B10R0.6 C=C(F)CC(=O)CCCC#N 1458a_100000075515_100009893438 [1,1,0,0,0,0|1,0,1]=4 4538 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [1,1,0,0,0,0|0,0,0]=2 4539 B10R0.6 C=C(F)CC(=O)CCCCO 1458a_100000695505_100009893438 [1,1,0,0,0,0|1,0,0]=3 4540 B10R0.6 C=C(F)CC(=O)CCCOC 1458a_100000741012_100009893438 [1,1,0,0,0,0|1,0,0]=3 4541 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [1,1,0,0,0,0|1,0,0]=3 4542 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [1,1,0,0,0,0|1,0,0]=3 4543 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [1,1,0,0,0,0|1,0,0]=3 4544 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [1,1,0,0,0,0|1,0,0]=3 4545 B10R0.6 C=C(F)CC(=O)COCCO 1458a_100000708028_100009893438 [1,1,0,0,0,0|2,0,0]=4 4546 B10R0.6 C=C(F)CC(=O)CSCCC 1458a_100000217233_100009893438 [1,1,0,0,0,0|1,0,0]=3 4547 B10R0.6 C=C(F)CN(C)CCCCC 2230a_100000223495_100009893438 [1,1,0,0,0,0|2,0,0]=4 4548 B10R0.6 C=C(F)CN(C)CCCCC 269982a_100000223495_100009893438 [1,1,0,0,0,0|2,0,0]=4 4549 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [1,1,0,0,0,0|0,0,2]=4 4550 B10R0.6 C=CCCCC(=O)CC(=C)F 1458a_100000766728_100009893438 [1,1,0,0,0,0|0,0,2]=4 4551 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|0,0,2]=4 4552 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|0,0,2]=4 4553 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|0,0,2]=4 4554 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [1,1,0,0,0,0|1,0,1]=4 4555 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 4556 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,0]=3 4557 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,0]=3 4558 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,0]=3 4559 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|0,0,2]=4 4560 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|0,0,2]=4 4561 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|0,0,2]=4 4562 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,1,0,0,0,0|1,0,1]=4 4563 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,1,0,0,0,0|1,0,1]=4 4564 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,1,0,0,0,0|1,0,1]=4 4565 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,1,0,0,0,0|1,0,1]=4 4566 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|0,0,2]=4 4567 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [1,1,0,0,0,0|2,0,0]=4 4568 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|1,0,1]=4 4569 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 4570 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 4571 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 4572 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,1]=4 4573 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 4574 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [1,1,0,0,0,0|2,0,0]=4 4575 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [1,1,0,0,0,0|2,0,0]=4 4576 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 4577 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [1,1,0,0,0,0|2,0,0]=4 4578 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [1,1,0,0,0,0|2,0,0]=4 4579 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|1,0,1]=4 4580 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [1,1,0,0,0,0|2,0,0]=4 4581 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [1,1,0,0,0,0|2,0,0]=4 4582 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|1,0,1]=4 4583 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|1,0,1]=4 4584 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,1]=4 4585 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [1,1,0,0,0,0|2,0,0]=4 4586 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [1,1,0,0,0,0|2,0,0]=4 4587 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [1,1,0,0,0,0|2,0,0]=4 4588 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [1,1,0,0,0,0|2,0,0]=4 4589 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [1,1,0,0,0,0|2,0,0]=4 4590 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [1,1,0,0,0,0|2,0,0]=4 4591 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|1,0,1]=4 4592 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|1,0,1]=4 4593 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [1,1,0,0,0,0|2,0,0]=4 4594 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [1,1,0,0,0,0|2,0,0]=4 4595 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [1,1,0,0,0,0|2,0,0]=4 4596 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [1,1,0,0,0,0|2,0,0]=4 4597 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [1,1,0,0,0,0|2,0,0]=4 4598 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [1,1,0,0,0,0|2,0,0]=4 4599 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [1,1,0,0,0,0|2,0,0]=4 4600 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [1,1,0,0,0,0|2,0,0]=4 4601 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [1,1,0,0,0,0|2,0,0]=4 4602 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [1,1,0,0,0,0|0,0,2]=4 4603 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [1,1,0,0,0,0|0,0,2]=4 4604 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [1,1,0,0,0,0|0,0,2]=4 4605 B10R0.19 C=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000210623 [1,1,0,0,0,0|0,0,2]=4 4606 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [1,1,0,0,0,0|1,0,1]=4 4607 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [1,1,0,0,0,0|0,0,0]=2 4608 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [1,1,0,0,0,0|0,0,0]=2 4609 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [1,1,0,0,0,0|0,0,0]=2 4610 B10R0.19 C=CCC(=O)C(O)CCSC 1458a_100000685904_100000210623 [1,1,0,0,0,0|1,0,0]=3 4611 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [1,1,0,0,0,0|1,0,0]=3 4612 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [1,1,0,0,0,0|1,0,0]=3 4613 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [1,1,0,0,0,0|1,0,0]=3 4614 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [1,1,0,0,0,0|1,0,0]=3 4615 B10R0.19 C=CCC(=O)N(C)CCCO 240690a_100000213112_100000210193 [1,1,0,0,0,0|2,0,0]=4 4616 B10R0.19 C=CCC(=O)N(C)CCCO 527a_100000213112_100000210193 [1,1,0,0,0,0|2,0,0]=4 4617 B10R0.19 C=CCC(=O)N(C)CCOC 11a_100000743101_100000210193 [1,1,0,0,0,0|2,0,0]=4 4618 B10R0.19 C=CCC(=O)N(C)CCOC 1626a_100000743101_100000210193 [1,1,0,0,0,0|2,0,0]=4 4619 B10R0.19 C=CCC(=O)N(C)CCOC 240690a_100000743101_100000210193 [1,1,0,0,0,0|2,0,0]=4 4620 B10R0.19 C=CCC(=O)N(C)CCOC 527a_100000743101_100000210193 [1,1,0,0,0,0|2,0,0]=4 4621 B10R0.19 C=CCC(=O)N(C)CCSC 11a_100000686725_100000210193 [1,1,0,0,0,0|2,0,0]=4 4622 B10R0.19 C=CCC(=O)N(C)CCSC 1626a_100000686725_100000210193 [1,1,0,0,0,0|2,0,0]=4 4623 B10R0.19 C=CCC(=O)N(C)CCSC 240690a_100000686725_100000210193 [1,1,0,0,0,0|2,0,0]=4 4624 B10R0.19 C=CCC(=O)N(C)CCSC 527a_100000686725_100000210193 [1,1,0,0,0,0|2,0,0]=4 4625 B10R0.19 C=CCN(C)C(C)CCCC 2230a_100000225617_200011215066 [1,1,0,0,0,0|2,0,0]=4 4626 B10R0.19 C=CCN(C)C(C)CCCC 269982a_100000225617_200011215066 [1,1,0,0,0,0|2,0,0]=4 4627 B10R0.19 C=CCN(C)C(C)CCCC 270004a_100000225617_100000210087 [1,1,0,0,0,0|2,0,0]=4 4628 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,1,0,0,0,0|0,0,2]=4 4629 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [1,1,0,0,0,0|1,0,1]=4 4630 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [1,1,0,0,0,0|1,0,1]=4 4631 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [1,1,0,0,0,0|1,0,1]=4 4632 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [1,1,0,0,0,0|1,0,1]=4 4633 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [1,1,0,0,0,0|1,0,1]=4 4634 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|0,0,2]=4 4635 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|0,0,2]=4 4636 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|1,0,1]=4 4637 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|1,0,1]=4 4638 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|1,0,1]=4 4639 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|1,0,1]=4 4640 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|1,0,1]=4 4641 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 4642 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 4643 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,1]=4 4644 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [1,1,0,0,0,0|1,0,1]=4 4645 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|0,0,2]=4 4646 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|1,0,1]=4 4647 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|1,0,1]=4 4648 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,1]=4 4649 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,1]=4 4650 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|1,0,1]=4 4651 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|1,0,1]=4 4652 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|1,0,1]=4 4653 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|1,0,1]=4 4654 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|1,0,1]=4 4655 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|1,0,1]=4 4656 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|1,0,1]=4 4657 B10R0.24 C=CCC(CCCCC)OC 34a_200011216309_200000210301 [1,1,0,0,0,0|0,0,2]=4 4658 B10R0.24 C=CCC(CCCCC)OC 7a_200011216309_200000210301 [1,1,0,0,0,0|0,0,2]=4 4659 B10R0.24 C=CCC(CCCCC)O[13CH3] 34a_200011216309_200025704644 [1,1,0,0,0,0|0,0,2]=4 4660 B10R0.24 C=CCC(CCCCC)O[13CH3] 7a_200011216309_200025704644 [1,1,0,0,0,0|0,0,2]=4 4661 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [1,1,0,0,0,0|0,0,2]=4 4662 B10R0.83 C#CCCCC(=O)C(C)C=C 1458a_100011216780_100000731252 [1,1,0,0,0,0|0,0,2]=4 4663 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|0,0,2]=4 4664 B10R0.83 C=CC(C)C(=O)C/C=C\CC 1458a_100011216780_100103147603 [1,1,0,0,0,0|0,0,2]=4 4665 B10R0.83 C=CC(C)C(=O)CC#CCC 1458a_100011216780_100009813939 [1,1,0,0,0,0|0,0,2]=4 4666 B10R0.83 C=CC(C)C(=O)CCCC#N 1458a_100011216780_100000211468 [1,1,0,0,0,0|1,0,1]=4 4667 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [1,1,0,0,0,0|0,0,0]=2 4668 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [1,1,0,0,0,0|1,0,0]=3 4669 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [1,1,0,0,0,0|1,0,0]=3 4670 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [1,1,0,0,0,0|1,0,0]=3 4671 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [1,1,0,0,0,0|1,0,0]=3 4672 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [1,1,0,0,0,0|1,0,0]=3 4673 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [1,1,0,0,0,0|1,0,0]=3 4674 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [1,1,0,0,0,0|1,0,0]=3 4675 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [1,1,0,0,0,0|1,0,0]=3 4676 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [1,1,0,0,0,0|1,0,0]=3 4677 B10R0.83 C=CC(C)C(=O)NCCCF 11a_100015189416_100011216780 [1,1,0,0,0,0|2,0,0]=4 4678 B10R0.83 C=CC(C)C(=O)NCCCF 1626a_100015189416_100011216780 [1,1,0,0,0,0|2,0,0]=4 4679 B10R0.83 C=CC(C)C(=O)NCCCF 240690a_100015189416_100011216780 [1,1,0,0,0,0|2,0,0]=4 4680 B10R0.83 C=CC(C)C(=O)NCCCF 527a_100015189416_100011216780 [1,1,0,0,0,0|2,0,0]=4 4681 B10R0.83 C=CC(C)C(=O)NCCCO 240690a_100000182051_100011216780 [1,1,0,0,0,0|2,0,0]=4 4682 B10R0.83 C=CC(C)C(=O)NCCCO 527a_100000182051_100011216780 [1,1,0,0,0,0|2,0,0]=4 4683 B10R0.83 C=CC(C)C(=O)NCCOC 1626a_100000209980_100011216780 [1,1,0,0,0,0|2,0,0]=4 4684 B10R0.83 C=CC(C)C(=O)NCCOC 240690a_100000209980_100011216780 [1,1,0,0,0,0|2,0,0]=4 4685 B10R0.83 C=CC(C)C(=O)NCCOC 527a_100000209980_100011216780 [1,1,0,0,0,0|2,0,0]=4 4686 B10R0.83 C=CC(C)C(=O)NCCSC 11a_100020590264_100011216780 [1,1,0,0,0,0|2,0,0]=4 4687 B10R0.83 C=CC(C)C(=O)NCCSC 1626a_100020590264_100011216780 [1,1,0,0,0,0|2,0,0]=4 4688 B10R0.83 C=CC(C)C(=O)NCCSC 240690a_100020590264_100011216780 [1,1,0,0,0,0|2,0,0]=4 4689 B10R0.83 C=CC(C)C(=O)NCCSC 527a_100020590264_100011216780 [1,1,0,0,0,0|2,0,0]=4 4690 B10R0.83 C=CC(C)C(=O)NNCCC 22a_100000740057_100011216780 [1,1,0,0,0,0|2,0,0]=4 4691 B10R0.83 C=CC(C)N(C)CCCCC 269982a_100000223495_100011215867 [1,1,0,0,0,0|2,0,0]=4 4692 B10R0.83 C=CCCCC(=O)C(C)C=C 1458a_100011216780_100000757094 [1,1,0,0,0,0|0,0,2]=4 4693 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [1,1,0,0,0,0|1,0,1]=4 4694 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [1,1,0,0,0,0|1,0,1]=4 4695 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|0,0,2]=4 4696 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|0,0,2]=4 4697 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|1,0,1]=4 4698 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|1,0,1]=4 4699 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|0,0,2]=4 4700 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|1,0,1]=4 4701 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 4702 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 4703 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 4704 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,1]=4 4705 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [1,1,0,0,0,0|0,0,2]=4 4706 B10R0.108 C=CCC(=O)CCC(=O)NC 1458a_100011309844_100000210623 [1,1,0,0,0,0|1,0,1]=4 4707 B10R0.108 C=CCC(=O)CCC(=O)OC 1458a_100000187943_100000210623 [1,1,0,0,0,0|1,0,1]=4 4708 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [1,1,0,0,0,0|0,0,0]=2 4709 B10R0.108 C=CCC(=O)CCN(C)CC 1458a_100000755305_100000210623 [1,1,0,0,0,0|1,0,0]=3 4710 B10R0.108 C=CCC(=O)CCS(=O)CC 1458a_100011387550_100000210623 [1,1,0,0,0,0|1,0,0]=3 4711 B10R0.108 C=CCC(=O)CNC(=O)CC 1458a_100000194589_100000210623 [1,1,0,0,0,0|1,0,1]=4 4712 B10R0.108 C=CCC(=O)NCC(C)CC 11a_100020588543_100000210193 [1,1,0,0,0,0|1,0,0]=3 4713 B10R0.108 C=CCC(=O)NCC(C)CC 1626a_100020588543_100000210193 [1,1,0,0,0,0|1,0,0]=3 4714 B10R0.108 C=CCC(=O)NCC(C)CC 240690a_100020588543_100000210193 [1,1,0,0,0,0|1,0,0]=3 4715 B10R0.108 C=CCC(=O)NCC(C)CC 527a_100020588543_100000210193 [1,1,0,0,0,0|1,0,0]=3 4716 B10R0.108 C=CCC(=O)NCC(C)CO 240690a_100000744482_100000210193 [1,1,0,0,0,0|2,0,0]=4 4717 B10R0.108 C=CCC(=O)NCC(C)CO 527a_100000744482_100000210193 [1,1,0,0,0,0|2,0,0]=4 4718 B10R0.108 C=CCC(=O)NCC(O)CC 11a_100011218483_100000210193 [1,1,0,0,0,0|1,0,0]=3 4719 B10R0.108 C=CCC(=O)NCC(O)CC 240690a_100011218483_100000210193 [1,1,0,0,0,0|1,0,0]=3 4720 B10R0.108 C=CCC(=O)NCC(O)CC 527a_100011218483_100000210193 [1,1,0,0,0,0|1,0,0]=3 4721 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210193 [1,1,0,0,0,0|2,0,0]=4 4722 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210193 [1,1,0,0,0,0|2,0,0]=4 4723 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210193 [1,1,0,0,0,0|2,0,0]=4 4724 B10R0.108 C=CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210193 [1,1,0,0,0,0|2,0,0]=4 4725 B10R0.108 C=CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210193 [1,1,0,0,0,0|2,0,0]=4 4726 B10R0.108 C=CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210193 [1,1,0,0,0,0|2,0,0]=4 4727 B10R0.108 C=CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210193 [1,1,0,0,0,0|2,0,0]=4 4728 B10R0.108 C=CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210193 [1,1,0,0,0,0|2,0,0]=4 4729 B10R0.108 C=CCC(=O)NNC(C)CC 22a_100000718999_100000210193 [1,1,0,0,0,0|2,0,0]=4 4730 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [1,1,0,0,0,0|1,0,0]=3 4731 B10R0.108 C=COC(=O)CN[C@H](C)CO 2230a_100000737577_100000036128 [1,1,0,0,0,0|2,0,0]=4 4732 B10R0.108 C=COC(=O)COC(C)CF 34a_100016041109_100000036128 [1,1,0,0,0,0|2,0,0]=4 4733 B10R0.108 C=COC(=O)COC(C)CN 34a_100000210904_100000036128 [1,1,0,0,0,0|2,0,0]=4 4734 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [1,1,0,0,0,0|1,0,0]=3 4735 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [1,1,0,0,0,0|1,0,0]=3 4736 B10R0.108 C=COC(=O)CSC(C)CO 62a_100012180447_100000036128 [1,1,0,0,0,0|2,0,0]=4 4737 B10R0.108 C=COC(=O)CSC(C)OC 62a_100000036128_100009879195 [1,1,0,0,0,0|2,0,0]=4 4738 B10R0.108 C=COC(=O)CSC(C)OC 62a_100009879195_100000036128 [1,1,0,0,0,0|2,0,0]=4 4739 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100000036128_100016084084 [1,1,0,0,0,0|2,0,0]=4 4740 B10R0.108 C=COC(=O)CS[C@H](C)CO 62a_100016084084_100000036128 [1,1,0,0,0,0|2,0,0]=4 4741 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [1,1,0,0,0,0|1,0,1]=4 4742 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|1,0,1]=4 4743 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|1,0,1]=4 4744 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|0,0,2]=4 4745 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 4746 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 4747 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,1]=4 4748 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,1]=4 4749 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|0,0,2]=4 4750 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|1,0,1]=4 4751 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|1,0,1]=4 4752 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|1,0,1]=4 4753 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|1,0,1]=4 4754 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|1,0,1]=4 4755 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|1,0,1]=4 4756 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|1,0,1]=4 4757 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|1,0,1]=4 4758 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 4759 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,1]=4 4760 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 4761 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,1]=4 4762 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,1]=4 4763 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,1]=4 4764 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 4765 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,1]=4 4766 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|1,0,1]=4 4767 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|1,0,1]=4 4768 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|1,0,1]=4 4769 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|1,0,1]=4 4770 B10R0.156 C=CCS(=O)(=O)NCCCC 270084a_100000102301_100000751117 [1,1,0,0,0,0|2,0,0]=4 4771 B10R0.156 C=CCS(=O)(=O)NCCCC 274078a_100000102301_100000751117 [1,1,0,0,0,0|2,0,0]=4 4772 B10R0.16 C#CC(CCCC)OCC=C 34a_200011217967_100015514636 [1,1,0,0,0,0|1,0,1]=4 4773 B10R0.16 C#CC(CCCC)OCC=C 7a_200011217967_100015514636 [1,1,0,0,0,0|1,0,1]=4 4774 B10R0.16 C=CCOC(C=C)CCCC 34a_200011215037_100015514636 [1,1,0,0,0,0|1,0,1]=4 4775 B10R0.16 C=CCOC(C=C)CCCC 7a_200011215037_100015514636 [1,1,0,0,0,0|1,0,1]=4 4776 B10R0.16 C=CCOC(CC)CCCC 34a_100011215227_100015514636 [1,1,0,0,0,0|1,0,1]=4 4777 B10R0.16 C=CCOC(CC)CCCC 34a_200000210373_200011216223 [1,1,0,0,0,0|1,0,1]=4 4778 B10R0.16 C=CCOC(CC)CCCC 7a_100011215227_100015514636 [1,1,0,0,0,0|1,0,1]=4 4779 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [1,1,0,0,0,0|1,0,0]=3 4780 B10R0.18 C=CC(C)CC(=O)CCCF 1458a_100011934298_100011934791 [1,1,0,0,0,0|2,0,0]=4 4781 B10R0.18 C=CC(C)CC(=O)CCCO 1458a_100011934298_100011215043 [1,1,0,0,0,0|2,0,0]=4 4782 B10R0.18 C=CC(C)CC(=O)CCOC 1458a_100011934298_100000233755 [1,1,0,0,0,0|2,0,0]=4 4783 B10R0.18 C=CC(C)CC(=O)CCSC 1458a_100011934298_100000751147 [1,1,0,0,0,0|2,0,0]=4 4784 B10R0.18 C=CC(C)CC(=O)NCCC 11a_100020643023_100011934298 [1,1,0,0,0,0|2,0,0]=4 4785 B10R0.18 C=CC(C)CC(=O)NCCC 1626a_100020643023_100011934298 [1,1,0,0,0,0|2,0,0]=4 4786 B10R0.18 C=CC(C)CC(=O)NCCC 240690a_100020643023_100011934298 [1,1,0,0,0,0|2,0,0]=4 4787 B10R0.18 C=CC(C)CC(=O)NCCC 527a_100020643023_100011934298 [1,1,0,0,0,0|2,0,0]=4 4788 B10R0.18 C=CC(C)OC(C)CCCC 34a_100000695699_200011215066 [1,1,0,0,0,0|1,0,1]=4 4789 B10R0.18 C=CC=CC(=O)CC(C)CC 1458a_100016291481_100000748023 [1,1,0,0,0,0|1,0,1]=4 4790 B10R0.18 C=CC=CC(=O)CC(O)CC 1458a_100016291481_100011218378 [1,1,0,0,0,0|1,0,1]=4 4791 B10R0.18 C=CC=CC(=O)C[C@@H](C)CC 1458a_100016291481_100009816398 [1,1,0,0,0,0|1,0,1]=4 4792 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [1,1,0,0,0,0|1,0,1]=4 4793 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000708755_100000754431 [1,1,0,0,0,0|1,0,0]=3 4794 B10R0.18 C=CCCC(=O)CC(C)CC 1458a_100000749702_100000748023 [1,1,0,0,0,0|1,0,0]=3 4795 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100000749702_100011218378 [1,1,0,0,0,0|1,0,0]=3 4796 B10R0.18 C=CCCC(=O)CC(O)CC 1458a_100011667805_100000754431 [1,1,0,0,0,0|1,0,0]=3 4797 B10R0.18 C=CCCC(=O)CN(C)CC 1458a_100116209913_100000754431 [1,1,0,0,0,0|2,0,0]=4 4798 B10R0.18 C=CCCC(=O)C[C@@H](C)CC 1458a_100000749702_100009816398 [1,1,0,0,0,0|1,0,0]=3 4799 B10R0.18 C=CCCC(=O)C[C@@H](C)CO 1458a_100000749702_100000059175 [1,1,0,0,0,0|2,0,0]=4 4800 B10R0.18 C=CCCC(=O)NC(C)CC 11a_100000209981_100000749702 [1,1,0,0,0,0|2,0,0]=4 4801 B10R0.18 C=CCCC(=O)NC(C)CC 1626a_100000209981_100000749702 [1,1,0,0,0,0|2,0,0]=4 4802 B10R0.18 C=CCCC(=O)NC(C)CC 240690a_100000209981_100000749702 [1,1,0,0,0,0|2,0,0]=4 4803 B10R0.18 C=CCCC(=O)NC(C)CC 527a_100000209981_100000749702 [1,1,0,0,0,0|2,0,0]=4 4804 B10R0.18 C=CCNC(=O)CC(=O)CC 1458a_100000210414_100000183597 [1,1,0,0,0,0|1,0,1]=4 4805 B10R0.18 C=CCNC(=O)CC(C)CC 1626a_100020586998_100000708755 [1,1,0,0,0,0|1,0,0]=3 4806 B10R0.18 C=CCNC(=O)CC(C)CC 240690a_100020586998_100000708755 [1,1,0,0,0,0|1,0,0]=3 4807 B10R0.18 C=CCNC(=O)CC(C)CC 527a_100020586998_100000708755 [1,1,0,0,0,0|1,0,0]=3 4808 B10R0.18 C=CCNC(=O)CC(O)CC 1626a_100020586998_100011667805 [1,1,0,0,0,0|1,0,0]=3 4809 B10R0.18 C=CCNC(=O)CC(O)CC 240690a_100020586998_100011667805 [1,1,0,0,0,0|1,0,0]=3 4810 B10R0.18 C=CCNC(=O)CN(C)CC 2230a_100000225621_100000183597 [1,1,0,0,0,0|2,0,0]=4 4811 B10R0.18 C=CCNC(=O)CN(C)CC 240690a_100020586998_100116209913 [1,1,0,0,0,0|2,0,0]=4 4812 B10R0.18 C=CCNC(=O)CN(C)CC 269982a_100000225621_100000183597 [1,1,0,0,0,0|2,0,0]=4 4813 B10R0.18 C=CCNC(=O)CN(C)CC 527a_100020586998_100116209913 [1,1,0,0,0,0|2,0,0]=4 4814 B10R0.18 C=CCNC(=O)NC(C)CC 2708a_100000209981_100020586998 [1,1,0,0,0,0|2,0,0]=4 4815 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100000209981_100020586998 [1,1,0,0,0,0|2,0,0]=4 4816 B10R0.18 C=CCNC(=O)NC(C)CC 273464a_100020586998_100000209981 [1,1,0,0,0,0|2,0,0]=4 4817 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100000209981_100020586998 [1,1,0,0,0,0|2,0,0]=4 4818 B10R0.18 C=CCNC(=O)NC(C)CC 512a_100020586998_100000209981 [1,1,0,0,0,0|2,0,0]=4 4819 B10R0.18 C=CCOC(=O)CC(=O)CC 1458a_100000210414_100000033060 [1,1,0,0,0,0|0,0,1]=3 4820 B10R0.18 C=CCOC(=O)CC(=O)CO 1458a_100000210174_100000033060 [1,1,0,0,0,0|1,0,1]=4 4821 B10R0.18 C=CCOC(=O)CN(C)CC 2230a_100000225621_100000033060 [1,1,0,0,0,0|1,0,0]=3 4822 B10R0.18 C=CCOC(=O)CN(C)CC 269982a_100000225621_100000033060 [1,1,0,0,0,0|1,0,0]=3 4823 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,1,0,0,0,0|1,0,0]=3 4824 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,1,0,0,0,0|1,0,0]=3 4825 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [1,1,0,0,0,0|2,0,0]=4 4826 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [1,1,0,0,0,0|2,0,0]=4 4827 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [1,1,0,0,0,0|2,0,0]=4 4828 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [1,1,0,0,0,0|2,0,0]=4 4829 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [1,1,0,0,0,0|2,0,0]=4 4830 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [1,1,0,0,0,0|2,0,0]=4 4831 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [1,1,0,0,0,0|2,0,0]=4 4832 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [1,1,0,0,0,0|2,0,0]=4 4833 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [1,1,0,0,0,0|2,0,0]=4 4834 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [1,1,0,0,0,0|2,0,0]=4 4835 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [1,1,0,0,0,0|2,0,0]=4 4836 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [1,1,0,0,0,0|2,0,0]=4 4837 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [1,1,0,0,0,0|1,0,0]=3 4838 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [1,1,0,0,0,0|1,0,0]=3 4839 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [1,1,0,0,0,0|1,0,0]=3 4840 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [1,1,0,0,0,0|1,0,0]=3 4841 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [1,1,0,0,0,0|2,0,0]=4 4842 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [1,1,0,0,0,0|2,0,0]=4 4843 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [1,1,0,0,0,0|2,0,0]=4 4844 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [1,1,0,0,0,0|2,0,0]=4 4845 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [1,1,0,0,0,0|2,0,0]=4 4846 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [1,1,0,0,0,0|2,0,0]=4 4847 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [1,1,0,0,0,0|2,0,0]=4 4848 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [1,1,0,0,0,0|2,0,0]=4 4849 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [1,1,0,0,0,0|2,0,0]=4 4850 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [1,1,0,0,0,0|2,0,0]=4 4851 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [1,1,0,0,0,0|2,0,0]=4 4852 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [1,1,0,0,0,0|2,0,0]=4 4853 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [1,1,0,0,0,0|2,0,0]=4 4854 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [1,1,0,0,0,0|2,0,0]=4 4855 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [1,1,0,0,0,0|2,0,0]=4 4856 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [1,1,0,0,0,0|2,0,0]=4 4857 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [1,1,0,0,0,0|2,0,0]=4 4858 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [1,1,0,0,0,0|2,0,0]=4 4859 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [1,1,0,0,0,0|2,0,0]=4 4860 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [1,1,0,0,0,0|2,0,0]=4 4861 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [1,1,0,0,0,0|2,0,0]=4 4862 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [1,1,0,0,0,0|2,0,0]=4 4863 B10R0.78 C=C(C)COC(C)CCCC 34a_100000210245_200011215066 [1,1,0,0,0,0|1,0,1]=4 4864 B10R0.78 C=C(C)COC(C)CCCC 34a_100000687866_100000748629 [1,1,0,0,0,0|1,0,1]=4 4865 B10R0.78 C=C(C)COC(C)CCCC 7a_100000687866_100000748629 [1,1,0,0,0,0|1,0,1]=4 4866 B10R0.78 C=C(F)COC(C)CCCC 34a_100000687866_100009893438 [1,1,0,0,0,0|1,0,1]=4 4867 B10R0.78 C=C(F)COC(C)CCCC 34a_200010262243_200011215066 [1,1,0,0,0,0|1,0,1]=4 4868 B10R0.78 C=C(F)COC(C)CCCC 7a_100000687866_100000042424 [1,1,0,0,0,0|1,0,1]=4 4869 B10R0.78 C=CC=CC(=O)CCC(C)C 1458a_100016291481_100000210312 [1,1,0,0,0,0|1,0,1]=4 4870 B10R0.78 C=CC=CC(=O)CCC(C)O 1458a_100016291481_100012276601 [1,1,0,0,0,0|1,0,1]=4 4871 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_100000749702_100000730704 [1,1,0,0,0,0|1,0,1]=4 4872 B10R0.78 C=CCCC(=O)CCC(=C)C 1458a_200000688413_100000754431 [1,1,0,0,0,0|1,0,1]=4 4873 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000181311_100000754431 [1,1,0,0,0,0|1,0,0]=3 4874 B10R0.78 C=CCCC(=O)CCC(C)C 1458a_100000749702_100000210312 [1,1,0,0,0,0|1,0,0]=3 4875 B10R0.78 C=CCCC(=O)CCC(C)O 1458a_100000749702_100012276601 [1,1,0,0,0,0|1,0,0]=3 4876 B10R0.78 C=CCCC(=O)CC[S+](C)C 1458a_100009452791_100000754431 [1,1,0,0,0,0|2,0,0]=4 4877 B10R0.78 C=CCCC(=O)COC(C)C 1458a_100000745533_100000754431 [1,1,0,0,0,0|2,0,0]=4 4878 B10R0.78 C=CCCC(=O)CSC(C)C 1458a_100000241585_100000754431 [1,1,0,0,0,0|2,0,0]=4 4879 B10R0.78 C=CCCC(=O)NCC(C)C 11a_100000210953_100000749702 [1,1,0,0,0,0|2,0,0]=4 4880 B10R0.78 C=CCCC(=O)NCC(C)C 1626a_100000210953_100000749702 [1,1,0,0,0,0|2,0,0]=4 4881 B10R0.78 C=CCCC(=O)NCC(C)C 240690a_100000210953_100000749702 [1,1,0,0,0,0|2,0,0]=4 4882 B10R0.78 C=CCCC(=O)NCC(C)C 527a_100000210953_100000749702 [1,1,0,0,0,0|2,0,0]=4 4883 B10R0.78 C=CCCC(=O)NCC(C)O 11a_100000210904_100000749702 [1,1,0,0,0,0|2,0,0]=4 4884 B10R0.78 C=CCCC(=O)NCC(C)O 240690a_100000210904_100000749702 [1,1,0,0,0,0|2,0,0]=4 4885 B10R0.78 C=CCCC(=O)NCC(C)O 527a_100000210904_100000749702 [1,1,0,0,0,0|2,0,0]=4 4886 B10R0.78 C=CCNC(=O)CCC(=C)C 1626a_100020586998_200000688413 [1,1,0,0,0,0|1,0,1]=4 4887 B10R0.78 C=CCNC(=O)CCC(=C)C 240690a_100020586998_200000688413 [1,1,0,0,0,0|1,0,1]=4 4888 B10R0.78 C=CCNC(=O)CCC(=C)C 527a_100020586998_200000688413 [1,1,0,0,0,0|1,0,1]=4 4889 B10R0.78 C=CCNC(=O)CCC(C)C 1626a_100020586998_100000181311 [1,1,0,0,0,0|1,0,0]=3 4890 B10R0.78 C=CCNC(=O)CCC(C)C 240690a_100020586998_100000181311 [1,1,0,0,0,0|1,0,0]=3 4891 B10R0.78 C=CCNC(=O)CCC(C)C 527a_100020586998_100000181311 [1,1,0,0,0,0|1,0,0]=3 4892 B10R0.78 C=CCNC(=O)CCC(C)O 1626a_100020586998_100000718519 [1,1,0,0,0,0|1,0,0]=3 4893 B10R0.78 C=CCNC(=O)CCN(C)C 2230a_100102631434_100011222895 [1,1,0,0,0,0|2,0,0]=4 4894 B10R0.78 C=CCNC(=O)CCN(C)C 240690a_100020586998_100000689311 [1,1,0,0,0,0|2,0,0]=4 4895 B10R0.78 C=CCNC(=O)CCN(C)C 269982a_100102631434_100011222895 [1,1,0,0,0,0|2,0,0]=4 4896 B10R0.78 C=CCNC(=O)CCN(C)C 527a_100020586998_100000689311 [1,1,0,0,0,0|2,0,0]=4 4897 B10R0.78 C=CCNC(=O)CC[S+](C)C 1626a_100020586998_100009452791 [1,1,0,0,0,0|2,0,0]=4 4898 B10R0.78 C=CCNC(=O)CC[S+](C)C 240690a_100020586998_100009452791 [1,1,0,0,0,0|2,0,0]=4 4899 B10R0.78 C=CCNC(=O)CNC(C)C 2230a_100138425928_100000183597 [1,1,0,0,0,0|2,0,0]=4 4900 B10R0.78 C=CCNC(=O)COC(C)C 1626a_100020586998_100000745533 [1,1,0,0,0,0|2,0,0]=4 4901 B10R0.78 C=CCNC(=O)COC(C)C 240690a_100020586998_100000745533 [1,1,0,0,0,0|2,0,0]=4 4902 B10R0.78 C=CCNC(=O)COC(C)C 527a_100020586998_100000745533 [1,1,0,0,0,0|2,0,0]=4 4903 B10R0.78 C=CCNC(=O)CSC(C)C 1626a_100020586998_100000241585 [1,1,0,0,0,0|2,0,0]=4 4904 B10R0.78 C=CCNC(=O)CSC(C)C 240690a_100020586998_100000241585 [1,1,0,0,0,0|2,0,0]=4 4905 B10R0.78 C=CCNC(=O)CSC(C)C 527a_100020586998_100000241585 [1,1,0,0,0,0|2,0,0]=4 4906 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000183597_100000210206 [1,1,0,0,0,0|2,0,0]=4 4907 B10R0.78 C=CCNC(=O)CSC(C)C 62a_100000210206_100000183597 [1,1,0,0,0,0|2,0,0]=4 4908 B10R0.78 C=CCNC(=O)NCC(C)C 2708a_100000210953_100020586998 [1,1,0,0,0,0|2,0,0]=4 4909 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100000210953_100020586998 [1,1,0,0,0,0|2,0,0]=4 4910 B10R0.78 C=CCNC(=O)NCC(C)C 273464a_100020586998_100000210953 [1,1,0,0,0,0|2,0,0]=4 4911 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100000210953_100020586998 [1,1,0,0,0,0|2,0,0]=4 4912 B10R0.78 C=CCNC(=O)NCC(C)C 512a_100020586998_100000210953 [1,1,0,0,0,0|2,0,0]=4 4913 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100000210904_100020586998 [1,1,0,0,0,0|2,0,0]=4 4914 B10R0.78 C=CCNC(=O)NCC(C)O 273464a_100020586998_100000210904 [1,1,0,0,0,0|2,0,0]=4 4915 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100000210904_100020586998 [1,1,0,0,0,0|2,0,0]=4 4916 B10R0.78 C=CCNC(=O)NCC(C)O 512a_100020586998_100000210904 [1,1,0,0,0,0|2,0,0]=4 4917 B10R0.78 C=CCOC(=O)CNC(C)C 2230a_100138425928_100000033060 [1,1,0,0,0,0|1,0,0]=3 4918 B10R0.78 C=CCOC(=O)CNC(C)C 34a_100138425928_100000033060 [1,1,0,0,0,0|1,0,0]=3 4919 B10R0.78 C=CCOC(=O)COC(C)C 34a_100000212225_100000033060 [1,1,0,0,0,0|1,0,0]=3 4920 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000033060_100000210206 [1,1,0,0,0,0|1,0,0]=3 4921 B10R0.78 C=CCOC(=O)CSC(C)C 62a_100000210206_100000033060 [1,1,0,0,0,0|1,0,0]=3 4922 B10R0.78 C=CCOC(=O)NCC(=O)C 1458a_100000216761_200000210301 [1,1,0,0,0,0|1,0,1]=4 4923 B10R0.78 C=CCOC(=O)NCC(=O)[13CH3] 1458a_100000216761_200025704644 [1,1,0,0,0,0|1,0,1]=4 4924 B10R0.78 C=CCOC(C)CCC(C)C 34a_100011215350_100015514636 [1,1,0,0,0,0|1,0,1]=4 4925 B10R0.78 C=CCOC(C)CCC(C)C 34a_200000210373_100011261404 [1,1,0,0,0,0|1,0,1]=4 4926 B10R0.78 C=CCOC(C)CCC(C)C 7a_100011215350_100015514636 [1,1,0,0,0,0|1,0,1]=4 4927 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [1,1,0,0,0,0|2,0,0]=4 4928 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [1,1,0,0,0,0|2,0,0]=4 4929 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [1,1,0,0,0,0|2,0,0]=4 4930 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [1,1,0,0,0,0|2,0,0]=4 4931 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [1,1,0,0,0,0|1,0,1]=4 4932 B10R0.116 C=CCNS(=O)(=O)CCCC 270084a_100020586998_100000212082 [1,1,0,0,0,0|2,0,0]=4 4933 B10R0.116 C=CCNS(=O)(=O)CCCC 274078a_100020586998_100000212082 [1,1,0,0,0,0|2,0,0]=4 4934 B10R0.116 C=CCNS(=O)(=O)CCCC 40a_100020586998_100000054263 [1,1,0,0,0,0|2,0,0]=4 4935 B10R0.116 C=CCOC(C)(C)CCCC 7a_100011219641_100015514636 [1,1,0,0,0,0|1,0,1]=4 4936 B10R0.4 C=C(Br)CCOCCCCC 34a_100009813270_100000718602 [1,1,0,0,0,0|2,0,0]=4 4937 B10R0.4 C=C(C)CCNCCCCC 2230a_100000209983_100000730704 [1,1,0,0,0,0|2,0,0]=4 4938 B10R0.4 C=C(C)CCOCCCCC 34a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 4939 B10R0.4 C=C(C)CCOCCCCC 34a_100000764851_100000718602 [1,1,0,0,0,0|2,0,0]=4 4940 B10R0.4 C=C(C)CCOCCCCC 7a_100000210253_100000730704 [1,1,0,0,0,0|2,0,0]=4 4941 B10R0.4 C=C(C)CCSCCCCC 62a_100000210326_100000730704 [1,1,0,0,0,0|2,0,0]=4 4942 B10R0.4 C=C(C)CCSCCCCC 62a_100000730704_100000210326 [1,1,0,0,0,0|2,0,0]=4 4943 B10R0.4 C=C(C)CNCCCCCC 2230a_100000210581_100000748629 [1,1,0,0,0,0|1,0,1]=4 4944 B10R0.4 C=C(C)COCCCCCBr 34a_100000746331_100000748629 [1,1,0,0,0,0|1,0,1]=4 4945 B10R0.4 C=C(C)COCCCCCBr 7a_100000746331_100000748629 [1,1,0,0,0,0|1,0,1]=4 4946 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|0,0,1]=3 4947 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|0,0,1]=3 4948 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|0,0,1]=3 4949 B10R0.4 C=C(C)COCCCCCCl 34a_100000746330_100000748629 [1,1,0,0,0,0|1,0,1]=4 4950 B10R0.4 C=C(C)COCCCCCCl 7a_100000746330_100000748629 [1,1,0,0,0,0|1,0,1]=4 4951 B10R0.4 C=C(C)COCCCCCF 34a_100000210245_100000729378 [1,1,0,0,0,0|1,0,1]=4 4952 B10R0.4 C=C(C)COCCCCCI 34a_200012148887_100000748629 [1,1,0,0,0,0|1,0,1]=4 4953 B10R0.4 C=C(C)COCCCCCI 7a_200012148887_100000748629 [1,1,0,0,0,0|1,0,1]=4 4954 B10R0.4 C=C(C)COCCCCCN 34a_100000762737_100000748629 [1,1,0,0,0,0|1,0,1]=4 4955 B10R0.4 C=C(C)COCCCCCO 34a_100000210245_100000746330 [1,1,0,0,0,0|1,0,1]=4 4956 B10R0.4 C=C(C)COCCCCOC 34a_100000210245_100000755781 [1,1,0,0,0,0|1,0,1]=4 4957 B10R0.4 C=C(C)COCCCCOC 34a_100000740925_100000748629 [1,1,0,0,0,0|1,0,1]=4 4958 B10R0.4 C=C(C)COCCCCSC 34a_100011217163_100000748629 [1,1,0,0,0,0|1,0,1]=4 4959 B10R0.4 C=C(C)COCCCCSC 7a_100011217163_100000748629 [1,1,0,0,0,0|1,0,1]=4 4960 B10R0.4 C=C(C)COCCCOCC 34a_100000210245_100012232248 [1,1,0,0,0,0|1,0,1]=4 4961 B10R0.4 C=C(C)COCCCOCC 34a_100000757476_100000748629 [1,1,0,0,0,0|1,0,1]=4 4962 B10R0.4 C=C(C)COCCCOCC 7a_100000757476_100000748629 [1,1,0,0,0,0|1,0,1]=4 4963 B10R0.4 C=C(C)COCCCSCC 34a_100011216438_100000748629 [1,1,0,0,0,0|1,0,1]=4 4964 B10R0.4 C=C(C)COCCCSCC 7a_100011216438_100000748629 [1,1,0,0,0,0|1,0,1]=4 4965 B10R0.4 C=C(C)COCCOCCC 34a_100000210245_100011215938 [1,1,0,0,0,0|1,0,1]=4 4966 B10R0.4 C=C(C)COCCOCCC 34a_100000752267_100000748629 [1,1,0,0,0,0|1,0,1]=4 4967 B10R0.4 C=C(C)COCCOCCC 7a_100000752267_100000748629 [1,1,0,0,0,0|1,0,1]=4 4968 B10R0.4 C=C(C)COCCSCCC 34a_200000230433_100000748629 [1,1,0,0,0,0|1,0,1]=4 4969 B10R0.4 C=C(C)COCCSCCC 7a_200000230433_100000748629 [1,1,0,0,0,0|1,0,1]=4 4970 B10R0.4 C=C(C)COCOCCCC 34a_100000210245_100011995733 [1,1,0,0,0,0|1,0,1]=4 4971 B10R0.4 C=C(C)CSCCCCCC 62a_100000210314_100000211660 [1,1,0,0,0,0|0,1,1]=4 4972 B10R0.4 C=C(C)CSCCCCCC 62a_100000748629_100000210757 [1,1,0,0,0,0|0,1,1]=4 4973 B10R0.4 C=C(F)CNCCCCCC 2230a_100000210581_100009893438 [1,1,0,0,0,0|1,0,1]=4 4974 B10R0.4 C=C(F)COCCCCCBr 34a_100000746331_100009893438 [1,1,0,0,0,0|1,0,1]=4 4975 B10R0.4 C=C(F)COCCCCCBr 7a_100000746331_100000042424 [1,1,0,0,0,0|1,0,1]=4 4976 B10R0.4 C=C(F)COCCCCCC 34a_100000210259_100009893438 [1,1,0,0,0,0|0,0,1]=3 4977 B10R0.4 C=C(F)COCCCCCC 34a_200010262243_100000210314 [1,1,0,0,0,0|0,0,1]=3 4978 B10R0.4 C=C(F)COCCCCCC 7a_100000210259_100000042424 [1,1,0,0,0,0|0,0,1]=3 4979 B10R0.4 C=C(F)COCCCCCCl 34a_100000746330_100009893438 [1,1,0,0,0,0|1,0,1]=4 4980 B10R0.4 C=C(F)COCCCCCCl 7a_100000746330_100000042424 [1,1,0,0,0,0|1,0,1]=4 4981 B10R0.4 C=C(F)COCCCCCF 34a_200010262243_100000729378 [1,1,0,0,0,0|1,0,1]=4 4982 B10R0.4 C=C(F)COCCCCCI 34a_200012148887_100009893438 [1,1,0,0,0,0|1,0,1]=4 4983 B10R0.4 C=C(F)COCCCCCI 7a_200012148887_100000042424 [1,1,0,0,0,0|1,0,1]=4 4984 B10R0.4 C=C(F)COCCCCCN 34a_100000762737_100009893438 [1,1,0,0,0,0|1,0,1]=4 4985 B10R0.4 C=C(F)COCCCCCO 34a_200010262243_100000746330 [1,1,0,0,0,0|1,0,1]=4 4986 B10R0.4 C=C(F)COCCCCOC 34a_100000740925_100009893438 [1,1,0,0,0,0|1,0,1]=4 4987 B10R0.4 C=C(F)COCCCCOC 34a_200010262243_100000755781 [1,1,0,0,0,0|1,0,1]=4 4988 B10R0.4 C=C(F)COCCCCSC 34a_100011217163_100009893438 [1,1,0,0,0,0|1,0,1]=4 4989 B10R0.4 C=C(F)COCCCCSC 7a_100011217163_100000042424 [1,1,0,0,0,0|1,0,1]=4 4990 B10R0.4 C=C(F)COCCCOCC 34a_100000757476_100009893438 [1,1,0,0,0,0|1,0,1]=4 4991 B10R0.4 C=C(F)COCCCOCC 34a_200010262243_100012232248 [1,1,0,0,0,0|1,0,1]=4 4992 B10R0.4 C=C(F)COCCCOCC 7a_100000757476_100000042424 [1,1,0,0,0,0|1,0,1]=4 4993 B10R0.4 C=C(F)COCCCSCC 34a_100011216438_100009893438 [1,1,0,0,0,0|1,0,1]=4 4994 B10R0.4 C=C(F)COCCCSCC 7a_100011216438_100000042424 [1,1,0,0,0,0|1,0,1]=4 4995 B10R0.4 C=C(F)COCCOCCC 34a_100000752267_100009893438 [1,1,0,0,0,0|1,0,1]=4 4996 B10R0.4 C=C(F)COCCOCCC 34a_200010262243_100011215938 [1,1,0,0,0,0|1,0,1]=4 4997 B10R0.4 C=C(F)COCCOCCC 7a_100000752267_100000042424 [1,1,0,0,0,0|1,0,1]=4 4998 B10R0.4 C=C(F)COCCSCCC 34a_200000230433_100009893438 [1,1,0,0,0,0|1,0,1]=4 4999 B10R0.4 C=C(F)COCCSCCC 7a_200000230433_100000042424 [1,1,0,0,0,0|1,0,1]=4 5000 B10R0.4 C=C(F)COCOCCCC 34a_200010262243_100011995733 [1,1,0,0,0,0|1,0,1]=4 5001 B10R0.4 C=C(F)CSCCCCCC 62a_100000042424_100000210757 [1,1,0,0,0,0|0,1,1]=4 5002 B10R0.4 C=C(F)CSCCCCCC 62a_100000210314_100000042424 [1,1,0,0,0,0|0,1,1]=4 5003 B10R0.4 C=CCCNCCCC(C)C 2230a_100015191253_100011214892 [1,1,0,0,0,0|2,0,0]=4 5004 B10R0.4 C=CCCNCCCC(C)C 2230a_200000737386_100000754431 [1,1,0,0,0,0|2,0,0]=4 5005 B10R0.4 C=CCCNCCCC(C)C 34a_200000737386_100000754431 [1,1,0,0,0,0|2,0,0]=4 5006 B10R0.4 C=CCCNCCCC(C)O 2230a_100015191253_200000718107 [1,1,0,0,0,0|2,0,0]=4 5007 B10R0.4 C=CCCOCCCC(C)C 34a_100000210774_100000754431 [1,1,0,0,0,0|2,0,0]=4 5008 B10R0.4 C=CCCOCCCC(C)C 34a_100011205117_100011214892 [1,1,0,0,0,0|2,0,0]=4 5009 B10R0.4 C=CCCOCCCC(C)C 7a_100000210774_100000754431 [1,1,0,0,0,0|2,0,0]=4 5010 B10R0.4 C=CCCOCCCC(C)O 34a_100011205117_200000718107 [1,1,0,0,0,0|2,0,0]=4 5011 B10R0.4 C=CCCSCCCC(C)C 62a_100000754431_100011214892 [1,1,0,0,0,0|2,0,0]=4 5012 B10R0.4 C=CCCSCCCC(C)C 62a_100011214892_100000754431 [1,1,0,0,0,0|2,0,0]=4 5013 B10R0.4 C=CCCSCCCC(C)O 62a_100000754431_200000718107 [1,1,0,0,0,0|2,0,0]=4 5014 B10R0.4 C=CCCSCCCC(C)O 62a_200000718107_100000754431 [1,1,0,0,0,0|2,0,0]=4 5015 B10R0.4 C=CCNCCCCC(C)C 2230a_100020586998_100011216152 [1,1,0,0,0,0|1,0,1]=4 5016 B10R0.4 C=CCOCCCCC(=O)C 34a_200000210373_100009817362 [1,1,0,0,0,0|0,0,2]=4 5017 B10R0.4 C=CCOCCCCC(C)C 34a_100011214890_100015514636 [1,1,0,0,0,0|0,0,1]=3 5018 B10R0.4 C=CCOCCCCC(C)C 34a_200000210373_100011216152 [1,1,0,0,0,0|0,0,1]=3 5019 B10R0.4 C=CCOCCCCC(C)C 7a_100011214890_100015514636 [1,1,0,0,0,0|0,0,1]=3 5020 B10R0.4 C=CCOCCCNC(C)C 34a_100000182298_100015514636 [1,1,0,0,0,0|1,0,1]=4 5021 B10R0.4 C=CCOCCNCC(C)C 34a_100015185251_100015514636 [1,1,0,0,0,0|1,0,1]=4 5022 B10R0.4 C=CCOCCOCC(C)C 34a_100000037705_100000210624 [1,1,0,0,0,0|1,0,1]=4 5023 B10R0.4 C=CCOCCOCC(C)C 34a_100000703358_100015514636 [1,1,0,0,0,0|1,0,1]=4 5024 B10R0.4 C=CCOCCOCC(C)C 7a_100000037705_100000210760 [1,1,0,0,0,0|1,0,1]=4 5025 B10R0.4 C=CCOCCOCC(C)C 7a_100000703358_100015514636 [1,1,0,0,0,0|1,0,1]=4 5026 B10R0.4 C=CCOCCOCC(C)O 34a_100000037705_100011218427 [1,1,0,0,0,0|1,0,1]=4 5027 B10R0.4 C=CCOCCOCC(C)O 7a_100000037705_100011218427 [1,1,0,0,0,0|1,0,1]=4 5028 B10R0.4 C=CCOCCOC[C@@H](C)O 34a_100000037705_100009817552 [1,1,0,0,0,0|1,0,1]=4 5029 B10R0.4 C=CCOCCOC[C@@H](C)O 7a_100000037705_100009817552 [1,1,0,0,0,0|1,0,1]=4 5030 B10R0.4 C=CCOCCSCC(C)C 34a_200000230437_100015514636 [1,1,0,0,0,0|1,0,1]=4 5031 B10R0.4 C=CCOCCSCC(C)C 7a_200000230437_100015514636 [1,1,0,0,0,0|1,0,1]=4 5032 B10R0.4 C=CCSCCCCC(C)C 62a_100000210623_100011216152 [1,1,0,0,0,0|0,1,1]=4 5033 B10R0.4 C=CCSCCCCC(C)C 62a_100011216152_100000210623 [1,1,0,0,0,0|0,1,1]=4 5034 B10R0.4 CC(C)CCCCOCC=O 34a_100011214890_200009817547 [1,1,0,0,0,0|1,0,1]=4 5035 B10R0.4 CC(C)CCCCOCC=O 7a_100011214890_200015260668 [1,1,0,0,0,0|1,0,1]=4 5036 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|1,0,1]=4 5037 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|1,0,1]=4 5038 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,2]=4 5039 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 5040 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,1,0,0,0,0|1,0,1]=4 5041 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,1,0,0,0,0|1,0,1]=4 5042 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,1,0,0,0,0|2,0,0]=4 5043 B10R0.71 C#CCCCCCOCC=C 34a_100000766912_100015514636 [1,1,0,0,0,0|0,0,2]=4 5044 B10R0.71 C#CCCCCCOCC=C 34a_200000210373_100012094781 [1,1,0,0,0,0|0,0,2]=4 5045 B10R0.71 C#CCCCCCOCC=C 7a_100000766912_100015514636 [1,1,0,0,0,0|0,0,2]=4 5046 B10R0.71 C/C=C/CCOCCCCC 34a_100016278192_100000718602 [1,1,0,0,0,0|2,0,0]=4 5047 B10R0.71 C/C=C/COCCCCCBr 34a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 5048 B10R0.71 C/C=C/COCCCCCBr 7a_100000746331_100102629194 [1,1,0,0,0,0|1,0,1]=4 5049 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 5050 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|0,0,1]=3 5051 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|0,0,1]=3 5052 B10R0.71 C/C=C/COCCCCCCl 34a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 5053 B10R0.71 C/C=C/COCCCCCCl 7a_100000746330_100102629194 [1,1,0,0,0,0|1,0,1]=4 5054 B10R0.71 C/C=C/COCCCCCF 34a_100016270725_100000729378 [1,1,0,0,0,0|1,0,1]=4 5055 B10R0.71 C/C=C/COCCCCCI 34a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 5056 B10R0.71 C/C=C/COCCCCCI 7a_200012148887_100102629194 [1,1,0,0,0,0|1,0,1]=4 5057 B10R0.71 C/C=C/COCCCCCN 34a_100000762737_100102629194 [1,1,0,0,0,0|1,0,1]=4 5058 B10R0.71 C/C=C/COCCCCCO 34a_100016270725_100000746330 [1,1,0,0,0,0|1,0,1]=4 5059 B10R0.71 C/C=C/COCCCCOC 34a_100000740925_100102629194 [1,1,0,0,0,0|1,0,1]=4 5060 B10R0.71 C/C=C/COCCCCOC 34a_100016270725_100000755781 [1,1,0,0,0,0|1,0,1]=4 5061 B10R0.71 C/C=C/COCCCCSC 34a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 5062 B10R0.71 C/C=C/COCCCCSC 7a_100011217163_100102629194 [1,1,0,0,0,0|1,0,1]=4 5063 B10R0.71 C/C=C/COCCCOCC 34a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 5064 B10R0.71 C/C=C/COCCCOCC 34a_100016270725_100012232248 [1,1,0,0,0,0|1,0,1]=4 5065 B10R0.71 C/C=C/COCCCOCC 7a_100000757476_100102629194 [1,1,0,0,0,0|1,0,1]=4 5066 B10R0.71 C/C=C/COCCCSCC 34a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 5067 B10R0.71 C/C=C/COCCCSCC 7a_100011216438_100102629194 [1,1,0,0,0,0|1,0,1]=4 5068 B10R0.71 C/C=C/COCCOCCC 34a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 5069 B10R0.71 C/C=C/COCCOCCC 34a_100016270725_100011215938 [1,1,0,0,0,0|1,0,1]=4 5070 B10R0.71 C/C=C/COCCOCCC 7a_100000752267_100102629194 [1,1,0,0,0,0|1,0,1]=4 5071 B10R0.71 C/C=C/COCCSCCC 34a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 5072 B10R0.71 C/C=C/COCCSCCC 7a_200000230433_100102629194 [1,1,0,0,0,0|1,0,1]=4 5073 B10R0.71 C/C=C/COCOCCCC 34a_100016270725_100011995733 [1,1,0,0,0,0|1,0,1]=4 5074 B10R0.71 C/C=C/CSCCCCCC 62a_100000210314_100102629194 [1,1,0,0,0,0|0,1,1]=4 5075 B10R0.71 C/C=C/CSCCCCCC 62a_100102629194_100000210757 [1,1,0,0,0,0|0,1,1]=4 5076 B10R0.71 C=CCCC=NNCCCC 4a_100025702795_100011216789 [1,1,0,0,0,0|2,0,0]=4 5077 B10R0.71 C=CCCCCCCCNC 2230a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 5078 B10R0.71 C=CCCCCCCCNC 34a_100102657272_100012355270 [1,1,0,0,0,0|1,0,1]=4 5079 B10R0.71 C=CCCCCCCCNC 7a_106832991635_100012355270 [1,1,0,0,0,0|1,0,1]=4 5080 B10R0.71 C=CCCCCCCCOC 34a_100000730831_200000210301 [1,1,0,0,0,0|1,0,1]=4 5081 B10R0.71 C=CCCCCCCCOC 34a_100138415774_100012355270 [1,1,0,0,0,0|1,0,1]=4 5082 B10R0.71 C=CCCCCCCCOC 7a_100000730831_200000210301 [1,1,0,0,0,0|1,0,1]=4 5083 B10R0.71 C=CCCCCCCCO[13CH3] 34a_100000730831_200025704644 [1,1,0,0,0,0|1,0,1]=4 5084 B10R0.71 C=CCCCCCCCO[13CH3] 7a_100000730831_200025704644 [1,1,0,0,0,0|1,0,1]=4 5085 B10R0.71 C=CCCCCCCCSC 62a_100012355270_200000210301 [1,1,0,0,0,0|1,0,1]=4 5086 B10R0.71 C=CCCCCCCCSC 62a_200000210301_100012355270 [1,1,0,0,0,0|1,0,1]=4 5087 B10R0.71 C=CCCCCCCCS[13CH3] 62a_100012355270_200025704644 [1,1,0,0,0,0|1,0,1]=4 5088 B10R0.71 C=CCCCCCCCS[13CH3] 62a_200025704644_100012355270 [1,1,0,0,0,0|1,0,1]=4 5089 B10R0.71 C=CCCCCCCNCC 2230a_100015525214_100011215473 [1,1,0,0,0,0|1,0,1]=4 5090 B10R0.71 C=CCCCCCCOCC 34a_100121572206_100011215473 [1,1,0,0,0,0|1,0,1]=4 5091 B10R0.71 C=CCCCCCCOCC 34a_200011216477_100000210202 [1,1,0,0,0,0|1,0,1]=4 5092 B10R0.71 C=CCCCCCCOCC 7a_200011216477_100000210202 [1,1,0,0,0,0|1,0,1]=4 5093 B10R0.71 C=CCCCCCCSCC 62a_100000210202_100011215473 [1,1,0,0,0,0|1,0,1]=4 5094 B10R0.71 C=CCCCCCCSCC 62a_100011215473_100000210202 [1,1,0,0,0,0|1,0,1]=4 5095 B10R0.71 C=CCCCCCOCC=C 34a_100011216702_100015514636 [1,1,0,0,0,0|0,0,2]=4 5096 B10R0.71 C=CCCCCCOCC=C 34a_200000210373_100000700193 [1,1,0,0,0,0|0,0,2]=4 5097 B10R0.71 C=CCCCCCOCC=C 7a_100011216702_100015514636 [1,1,0,0,0,0|0,0,2]=4 5098 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|1,0,1]=4 5099 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|1,0,1]=4 5100 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|1,0,1]=4 5101 B10R0.71 C=CCCCCCSCCC 62a_100000210303_100000700193 [1,1,0,0,0,0|1,0,1]=4 5102 B10R0.71 C=CCCCCCSCCC 62a_100000700193_100000210303 [1,1,0,0,0,0|1,0,1]=4 5103 B10R0.71 C=CCCCCNCCCC 2230a_100000102301_100011215482 [1,1,0,0,0,0|1,0,1]=4 5104 B10R0.71 C=CCCCCNCCCC 2230a_100000703577_100000210211 [1,1,0,0,0,0|1,0,1]=4 5105 B10R0.71 C=CCCCCNCCCC 34a_100000703577_100000210210 [1,1,0,0,0,0|1,0,1]=4 5106 B10R0.71 C=CCCCCNCCCC 7a_106832991798_100011215482 [1,1,0,0,0,0|1,0,1]=4 5107 B10R0.71 C=CCCCCOCCCC 34a_100000210227_100011215482 [1,1,0,0,0,0|1,0,1]=4 5108 B10R0.71 C=CCCCCOCCCC 34a_100000766645_100000210210 [1,1,0,0,0,0|1,0,1]=4 5109 B10R0.71 C=CCCCCOCCCC 7a_100000210227_100011215482 [1,1,0,0,0,0|1,0,1]=4 5110 B10R0.71 C=CCCCCOCCCC 7a_100000766645_100000210211 [1,1,0,0,0,0|1,0,1]=4 5111 B10R0.71 C=CCCCCSCCCC 62a_100000210211_100011215482 [1,1,0,0,0,0|1,0,1]=4 5112 B10R0.71 C=CCCCCSCCCC 62a_100011215482_100000210210 [1,1,0,0,0,0|1,0,1]=4 5113 B10R0.71 C=CCCCNCCCCC 2230a_100000209983_100011713584 [1,1,0,0,0,0|1,0,1]=4 5114 B10R0.71 C=CCCCNCCCCC 2230a_100000700776_100000210326 [1,1,0,0,0,0|1,0,1]=4 5115 B10R0.71 C=CCCCNCCCCC 34a_100000700776_100000718602 [1,1,0,0,0,0|1,0,1]=4 5116 B10R0.71 C=CCCCOCCCCC 34a_100000210253_100000757094 [1,1,0,0,0,0|1,0,1]=4 5117 B10R0.71 C=CCCCOCCCCC 34a_100000758997_100000718602 [1,1,0,0,0,0|1,0,1]=4 5118 B10R0.71 C=CCCCOCCCCC 7a_100000210253_100000757094 [1,1,0,0,0,0|1,0,1]=4 5119 B10R0.71 C=CCCCOCCCCC 7a_100000758997_100000210326 [1,1,0,0,0,0|1,0,1]=4 5120 B10R0.71 C=CCCCSCCCCC 62a_100000210326_100000757094 [1,1,0,0,0,0|1,0,1]=4 5121 B10R0.71 C=CCCCSCCCCC 62a_100011713584_100000210326 [1,1,0,0,0,0|1,0,1]=4 5122 B10R0.71 C=CCCNCCCCCC 2230a_100000210581_100000754431 [1,1,0,0,0,0|1,0,1]=4 5123 B10R0.71 C=CCCNCCCCCC 2230a_100015191253_100000210314 [1,1,0,0,0,0|1,0,1]=4 5124 B10R0.71 C=CCCNCCCCCF 2230a_100015191253_100000729378 [1,1,0,0,0,0|2,0,0]=4 5125 B10R0.71 C=CCCNCCCCCO 2230a_100000762737_100000754431 [1,1,0,0,0,0|2,0,0]=4 5126 B10R0.71 C=CCCNCCCCCO 2230a_100015191253_100000746330 [1,1,0,0,0,0|2,0,0]=4 5127 B10R0.71 C=CCCNCCCCCO 34a_100000762737_100000754431 [1,1,0,0,0,0|2,0,0]=4 5128 B10R0.71 C=CCCNCCCCOC 2230a_100015191253_100000730899 [1,1,0,0,0,0|2,0,0]=4 5129 B10R0.71 C=CCCNCCCOCC 2230a_100000210961_100000754431 [1,1,0,0,0,0|2,0,0]=4 5130 B10R0.71 C=CCCNCCCOCC 2230a_100015191253_100012232248 [1,1,0,0,0,0|2,0,0]=4 5131 B10R0.71 C=CCCNCCCOCC 34a_100000210961_100000754431 [1,1,0,0,0,0|2,0,0]=4 5132 B10R0.71 C=CCCNCCOCCC 2230a_100015191253_100011215938 [1,1,0,0,0,0|2,0,0]=4 5133 B10R0.71 C=CCCNCCOCCC 2230a_100161115042_100000754431 [1,1,0,0,0,0|2,0,0]=4 5134 B10R0.71 C=CCCNCCOCCC 34a_100161115042_100000754431 [1,1,0,0,0,0|2,0,0]=4 5135 B10R0.71 C=CCCNCCSCCC 2230a_100020603323_100000754431 [1,1,0,0,0,0|2,0,0]=4 5136 B10R0.71 C=CCCNCOCCCC 2230a_100015191253_100011995733 [1,1,0,0,0,0|2,0,0]=4 5137 B10R0.71 C=CCCOCCCCCBr 34a_100000746331_100000754431 [1,1,0,0,0,0|1,0,1]=4 5138 B10R0.71 C=CCCOCCCCCBr 7a_100000746331_100000754431 [1,1,0,0,0,0|1,0,1]=4 5139 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|0,0,1]=3 5140 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|0,0,1]=3 5141 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|0,0,1]=3 5142 B10R0.71 C=CCCOCCCCCCl 34a_100000746330_100000754431 [1,1,0,0,0,0|1,0,1]=4 5143 B10R0.71 C=CCCOCCCCCCl 7a_100000746330_100000754431 [1,1,0,0,0,0|1,0,1]=4 5144 B10R0.71 C=CCCOCCCCCF 34a_100011205117_100000729378 [1,1,0,0,0,0|1,0,1]=4 5145 B10R0.71 C=CCCOCCCCCI 34a_200012148887_100000754431 [1,1,0,0,0,0|1,0,1]=4 5146 B10R0.71 C=CCCOCCCCCI 7a_200012148887_100000754431 [1,1,0,0,0,0|1,0,1]=4 5147 B10R0.71 C=CCCOCCCCCN 34a_100000762737_100000754431 [1,1,0,0,0,0|1,0,1]=4 5148 B10R0.71 C=CCCOCCCCCO 34a_100011205117_100000746330 [1,1,0,0,0,0|1,0,1]=4 5149 B10R0.71 C=CCCOCCCCOC 34a_100000740925_100000754431 [1,1,0,0,0,0|1,0,1]=4 5150 B10R0.71 C=CCCOCCCCOC 34a_100011205117_100000755781 [1,1,0,0,0,0|1,0,1]=4 5151 B10R0.71 C=CCCOCCCCSC 34a_100011217163_100000754431 [1,1,0,0,0,0|1,0,1]=4 5152 B10R0.71 C=CCCOCCCCSC 7a_100011217163_100000754431 [1,1,0,0,0,0|1,0,1]=4 5153 B10R0.71 C=CCCOCCCOCC 34a_100000757476_100000754431 [1,1,0,0,0,0|1,0,1]=4 5154 B10R0.71 C=CCCOCCCOCC 34a_100011205117_100012232248 [1,1,0,0,0,0|1,0,1]=4 5155 B10R0.71 C=CCCOCCCOCC 7a_100000757476_100000754431 [1,1,0,0,0,0|1,0,1]=4 5156 B10R0.71 C=CCCOCCCSCC 34a_100011216438_100000754431 [1,1,0,0,0,0|1,0,1]=4 5157 B10R0.71 C=CCCOCCCSCC 7a_100011216438_100000754431 [1,1,0,0,0,0|1,0,1]=4 5158 B10R0.71 C=CCCOCCOCCC 34a_100000752267_100000754431 [1,1,0,0,0,0|1,0,1]=4 5159 B10R0.71 C=CCCOCCOCCC 34a_100011205117_100011215938 [1,1,0,0,0,0|1,0,1]=4 5160 B10R0.71 C=CCCOCCOCCC 7a_100000752267_100000754431 [1,1,0,0,0,0|1,0,1]=4 5161 B10R0.71 C=CCCOCCSCCC 34a_200000230433_100000754431 [1,1,0,0,0,0|1,0,1]=4 5162 B10R0.71 C=CCCOCCSCCC 7a_200000230433_100000754431 [1,1,0,0,0,0|1,0,1]=4 5163 B10R0.71 C=CCCOCOCCCC 34a_100011205117_100011995733 [1,1,0,0,0,0|1,0,1]=4 5164 B10R0.71 C=CCCSCCCCCC 62a_100000210314_100000754431 [1,1,0,0,0,0|0,1,1]=4 5165 B10R0.71 C=CCCSCCCCCC 62a_100000754431_100000210757 [1,1,0,0,0,0|0,1,1]=4 5166 B10R0.71 C=CCCSCCCCCF 62a_100000729378_100000754431 [1,1,0,0,0,0|2,0,0]=4 5167 B10R0.71 C=CCCSCCCCCF 62a_100000754431_100000729378 [1,1,0,0,0,0|2,0,0]=4 5168 B10R0.71 C=CCCSCCCCCO 62a_100000746330_100000754431 [1,1,0,0,0,0|2,0,0]=4 5169 B10R0.71 C=CCCSCCCCCO 62a_100000754431_100000746330 [1,1,0,0,0,0|2,0,0]=4 5170 B10R0.71 C=CCCSCCCCOC 62a_100000730899_100000754431 [1,1,0,0,0,0|2,0,0]=4 5171 B10R0.71 C=CCCSCCCCOC 62a_100000754431_100000730899 [1,1,0,0,0,0|2,0,0]=4 5172 B10R0.71 C=CCCSCCCOCC 62a_100000754431_100012232248 [1,1,0,0,0,0|2,0,0]=4 5173 B10R0.71 C=CCCSCCCOCC 62a_100012232248_100000754431 [1,1,0,0,0,0|2,0,0]=4 5174 B10R0.71 C=CCCSCCOCCC 62a_100000754431_100011215938 [1,1,0,0,0,0|2,0,0]=4 5175 B10R0.71 C=CCCSCCOCCC 62a_100011215938_100000754431 [1,1,0,0,0,0|2,0,0]=4 5176 B10R0.71 C=CCCSCOCCCC 62a_100000754431_100011995733 [1,1,0,0,0,0|2,0,0]=4 5177 B10R0.71 C=CCCSCOCCCC 62a_100011995733_100000754431 [1,1,0,0,0,0|2,0,0]=4 5178 B10R0.71 C=CCNCCCCCCC 2230a_100000229938_100000210623 [1,1,0,0,0,0|1,0,1]=4 5179 B10R0.71 C=CCNCCCCCCC 2230a_100020586998_100000210681 [1,1,0,0,0,0|1,0,1]=4 5180 B10R0.71 C=CCNCCCCCCF 2230a_100020586998_100015922095 [1,1,0,0,0,0|1,0,1]=4 5181 B10R0.71 C=CCNCCCCCCO 2230a_100000686447_100000210623 [1,1,0,0,0,0|1,0,1]=4 5182 B10R0.71 C=CCNCCCCCCO 2230a_100020586998_100000766143 [1,1,0,0,0,0|1,0,1]=4 5183 B10R0.71 C=CCNCCCCCCO 34a_100000686447_100015514636 [1,1,0,0,0,0|1,0,1]=4 5184 B10R0.71 C=CCNCCCCCOC 2230a_100000747528_100000210623 [1,1,0,0,0,0|1,0,1]=4 5185 B10R0.71 C=CCNCCCCCOC 34a_100000747528_100015514636 [1,1,0,0,0,0|1,0,1]=4 5186 B10R0.71 C=CCNCCCOCCC 2230a_100011217757_100000210623 [1,1,0,0,0,0|1,0,1]=4 5187 B10R0.71 C=CCNCCCOCCC 34a_100011217757_100015514636 [1,1,0,0,0,0|1,0,1]=4 5188 B10R0.71 C=CCNCCOCCCC 2230a_100020586998_100000743108 [1,1,0,0,0,0|1,0,1]=4 5189 B10R0.71 C=CCNCCSCCCC 2230a_100025743550_100000210623 [1,1,0,0,0,0|1,0,1]=4 5190 B10R0.71 C=CCOC/C=C/CCCC 34a_200016272032_100015514636 [1,1,0,0,0,0|0,0,1]=3 5191 B10R0.71 C=CCOC/C=C/CCCC 7a_200016272032_100015514636 [1,1,0,0,0,0|0,0,1]=3 5192 B10R0.71 C=CCOCC#CCCCC 34a_200000034558_100015514636 [1,1,0,0,0,0|0,0,2]=4 5193 B10R0.71 C=CCOCC#CCCCC 7a_200000034558_100015514636 [1,1,0,0,0,0|0,0,2]=4 5194 B10R0.71 C=CCOCCC#CCCC 34a_100000042726_100015514636 [1,1,0,0,0,0|0,0,2]=4 5195 B10R0.71 C=CCOCCC#CCCC 7a_100000042726_100015514636 [1,1,0,0,0,0|0,0,2]=4 5196 B10R0.71 C=CCOCCC/C=C/CC 34a_100016287902_100015514636 [1,1,0,0,0,0|0,0,2]=4 5197 B10R0.71 C=CCOCCC/C=C/CC 7a_100016287902_100015514636 [1,1,0,0,0,0|0,0,2]=4 5198 B10R0.71 C=CCOCCCCCCBr 34a_100011215345_100015514636 [1,1,0,0,0,0|0,0,1]=3 5199 B10R0.71 C=CCOCCCCCCBr 7a_100011215345_100015514636 [1,1,0,0,0,0|0,0,1]=3 5200 B10R0.71 C=CCOCCCCCCC 34a_100000210272_100015514636 [1,1,0,0,0,0|0,0,1]=3 5201 B10R0.71 C=CCOCCCCCCC 34a_200000210373_100000210614 [1,1,0,0,0,0|0,0,1]=3 5202 B10R0.71 C=CCOCCCCCCC 7a_100000210272_100015514636 [1,1,0,0,0,0|0,0,1]=3 5203 B10R0.71 C=CCOCCCCCCCl 34a_100000766143_100015514636 [1,1,0,0,0,0|0,0,1]=3 5204 B10R0.71 C=CCOCCCCCCCl 7a_100000766143_100015514636 [1,1,0,0,0,0|0,0,1]=3 5205 B10R0.71 C=CCOCCCCCCF 34a_100000732779_100015514636 [1,1,0,0,0,0|0,0,1]=3 5206 B10R0.71 C=CCOCCCCCCF 34a_200000210373_100015922095 [1,1,0,0,0,0|0,0,1]=3 5207 B10R0.71 C=CCOCCCCCCF 7a_100000732779_100015514636 [1,1,0,0,0,0|0,0,1]=3 5208 B10R0.71 C=CCOCCCCCCN 34a_100000686447_100015514636 [1,1,0,0,0,0|0,0,1]=3 5209 B10R0.71 C=CCOCCCCCCO 34a_200000210373_100000766143 [1,1,0,0,0,0|0,0,1]=3 5210 B10R0.71 C=CCOCCCCCNC 34a_100000722520_100015514636 [1,1,0,0,0,0|0,0,1]=3 5211 B10R0.71 C=CCOCCOCCCC 34a_100000037705_100000210210 [1,1,0,0,0,0|0,0,1]=3 5212 B10R0.71 C=CCOCCOCCCC 34a_100000210238_100015514636 [1,1,0,0,0,0|0,0,1]=3 5213 B10R0.71 C=CCOCCOCCCC 34a_200000210373_100000743108 [1,1,0,0,0,0|0,0,1]=3 5214 B10R0.71 C=CCOCCOCCCC 7a_100000037705_100000210211 [1,1,0,0,0,0|0,0,1]=3 5215 B10R0.71 C=CCOCCOCCCC 7a_100000210238_100015514636 [1,1,0,0,0,0|0,0,1]=3 5216 B10R0.71 C=CCOCCOCCCF 34a_100000037705_100011934791 [1,1,0,0,0,0|1,0,1]=4 5217 B10R0.71 C=CCOCCOCCCF 7a_100000037705_100011934791 [1,1,0,0,0,0|1,0,1]=4 5218 B10R0.71 C=CCOCCOCCCO 34a_100000037705_100000230001 [1,1,0,0,0,0|1,0,1]=4 5219 B10R0.71 C=CCOCCOCCCO 7a_100000037705_100011215043 [1,1,0,0,0,0|1,0,1]=4 5220 B10R0.71 C=CCOCCOCCNC 34a_100000228057_100015514636 [1,1,0,0,0,0|1,0,1]=4 5221 B10R0.71 C=CCOCCOCCOC 34a_100000037705_100011201679 [1,1,0,0,0,0|1,0,1]=4 5222 B10R0.71 C=CCOCCOCCOC 34a_100000065479_200000210301 [1,1,0,0,0,0|1,0,1]=4 5223 B10R0.71 C=CCOCCOCCOC 34a_100011215163_100015514636 [1,1,0,0,0,0|1,0,1]=4 5224 B10R0.71 C=CCOCCOCCOC 34a_200000210373_100000695917 [1,1,0,0,0,0|1,0,1]=4 5225 B10R0.71 C=CCOCCOCCOC 7a_100000037705_100000233755 [1,1,0,0,0,0|1,0,1]=4 5226 B10R0.71 C=CCOCCOCCOC 7a_100000065479_200000210301 [1,1,0,0,0,0|1,0,1]=4 5227 B10R0.71 C=CCOCCOCCOC 7a_100011215163_100015514636 [1,1,0,0,0,0|1,0,1]=4 5228 B10R0.71 C=CCOCCOCCO[13CH3] 34a_100000065479_200025704644 [1,1,0,0,0,0|1,0,1]=4 5229 B10R0.71 C=CCOCCOCCO[13CH3] 7a_100000065479_200025704644 [1,1,0,0,0,0|1,0,1]=4 5230 B10R0.71 C=CCOCCOCCSC 34a_100000037705_100000212216 [1,1,0,0,0,0|1,0,1]=4 5231 B10R0.71 C=CCOCCOCCSC 7a_100000037705_100000212216 [1,1,0,0,0,0|1,0,1]=4 5232 B10R0.71 C=CCOCCSCCCC 34a_200000230436_100015514636 [1,1,0,0,0,0|0,0,1]=3 5233 B10R0.71 C=CCOCCSCCCC 7a_200000230436_100015514636 [1,1,0,0,0,0|0,0,1]=3 5234 B10R0.71 C=CCSCCCCCCC 62a_100000210614_100000210623 [1,1,0,0,0,0|0,1,1]=4 5235 B10R0.71 C=CCSCCCCCCC 62a_100000210623_100000210316 [1,1,0,0,0,0|0,1,1]=4 5236 B10R0.71 C=CCSCCCCCCF 62a_100000210623_100015922095 [1,1,0,0,0,0|0,1,1]=4 5237 B10R0.71 C=CCSCCCCCCF 62a_100015922095_100000210623 [1,1,0,0,0,0|0,1,1]=4 5238 B10R0.71 C=CCSCCCCCCO 62a_100000210623_100000766143 [1,1,0,0,0,0|0,1,1]=4 5239 B10R0.71 C=CCSCCCCCCO 62a_100000766143_100000210623 [1,1,0,0,0,0|0,1,1]=4 5240 B10R0.71 C=CCSCCOCCCC 62a_100000210623_100000743108 [1,1,0,0,0,0|0,1,1]=4 5241 B10R0.71 C=CCSCCOCCCC 62a_100000743108_100000210623 [1,1,0,0,0,0|0,1,1]=4 5242 B10R0.71 C=COCCNCCCCC 2230a_100000209983_100000039644 [1,1,0,0,0,0|2,0,0]=4 5243 B10R0.71 C=COCCOCCCCC 34a_100000033082_100000718602 [1,1,0,0,0,0|2,0,0]=4 5244 B10R0.71 C=COCCOCCCCC 34a_100000210253_100000039644 [1,1,0,0,0,0|2,0,0]=4 5245 B10R0.71 C=COCCOCCCCC 7a_100000210253_100000039644 [1,1,0,0,0,0|2,0,0]=4 5246 B10R0.71 C=COCCSCCCCC 62a_100000039644_100000210326 [1,1,0,0,0,0|2,0,0]=4 5247 B10R0.71 C=COCCSCCCCC 62a_100000210326_100000039644 [1,1,0,0,0,0|2,0,0]=4 5248 B10R0.71 CC=CCNCCCCCC 2230a_100000210581_100000070051 [1,1,0,0,0,0|1,0,1]=4 5249 B10R0.71 CC=CCOCCCCCBr 34a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 5250 B10R0.71 CC=CCOCCCCCBr 7a_100000746331_100000070051 [1,1,0,0,0,0|1,0,1]=4 5251 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 5252 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|0,0,1]=3 5253 B10R0.71 CC=CCOCCCCCCl 34a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 5254 B10R0.71 CC=CCOCCCCCCl 7a_100000746330_100000070051 [1,1,0,0,0,0|1,0,1]=4 5255 B10R0.71 CC=CCOCCCCCI 34a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 5256 B10R0.71 CC=CCOCCCCCI 7a_200012148887_100000070051 [1,1,0,0,0,0|1,0,1]=4 5257 B10R0.71 CC=CCOCCCCCN 34a_100000762737_100000070051 [1,1,0,0,0,0|1,0,1]=4 5258 B10R0.71 CC=CCOCCCCOC 34a_100000740925_100000070051 [1,1,0,0,0,0|1,0,1]=4 5259 B10R0.71 CC=CCOCCCCSC 34a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 5260 B10R0.71 CC=CCOCCCCSC 7a_100011217163_100000070051 [1,1,0,0,0,0|1,0,1]=4 5261 B10R0.71 CC=CCOCCCOCC 34a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 5262 B10R0.71 CC=CCOCCCOCC 7a_100000757476_100000070051 [1,1,0,0,0,0|1,0,1]=4 5263 B10R0.71 CC=CCOCCCSCC 34a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 5264 B10R0.71 CC=CCOCCCSCC 7a_100011216438_100000070051 [1,1,0,0,0,0|1,0,1]=4 5265 B10R0.71 CC=CCOCCOCCC 34a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 5266 B10R0.71 CC=CCOCCOCCC 7a_100000752267_100000070051 [1,1,0,0,0,0|1,0,1]=4 5267 B10R0.71 CC=CCOCCSCCC 34a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 5268 B10R0.71 CC=CCOCCSCCC 7a_200000230433_100000070051 [1,1,0,0,0,0|1,0,1]=4 5269 B10R0.71 CC=CCSCCCCCC 62a_100000070051_100000210757 [1,1,0,0,0,0|0,1,1]=4 5270 B10R0.71 CC=CCSCCCCCC 62a_100000210314_100000070051 [1,1,0,0,0,0|0,1,1]=4 5271 B10R0.71 CCCC/C=C/COCC=O 34a_200016272032_200009817547 [1,1,0,0,0,0|1,0,1]=4 5272 B10R0.71 CCCC/C=C/COCC=O 7a_200016272032_200015260668 [1,1,0,0,0,0|1,0,1]=4 5273 B10R0.71 CCCCCCCOCC=O 34a_100000210272_200009817547 [1,1,0,0,0,0|1,0,1]=4 5274 B10R0.71 CCCCCCCOCC=O 7a_100000210272_200015260668 [1,1,0,0,0,0|1,0,1]=4 5275 B10R0.71 CCCCOCCOCC=O 34a_100000210238_200009817547 [1,1,0,0,0,0|1,0,1]=4 5276 B10R0.71 CCCCOCCOCC=O 7a_100000210238_200015260668 [1,1,0,0,0,0|1,0,1]=4 5277 B10R0.71 CCCCSCCOCC=O 34a_200000230436_200009817547 [1,1,0,0,0,0|1,0,1]=4 5278 B10R0.71 CCCCSCCOCC=O 7a_200000230436_200015260668 [1,1,0,0,0,0|1,0,1]=4 5279 B10R0.71 CNCCCCCOCC=O 34a_100000722520_200009817547 [1,1,0,0,0,0|1,0,1]=4 5280 B10R0.71 NCCCCCCOCC=O 34a_100000686447_200009817547 [1,1,0,0,0,0|1,0,1]=4 5281 B10R0.71 O=CCOCCCCCCBr 34a_100011215345_200009817547 [1,1,0,0,0,0|1,0,1]=4 5282 B10R0.71 O=CCOCCCCCCBr 7a_100011215345_200015260668 [1,1,0,0,0,0|1,0,1]=4 5283 B10R0.71 O=CCOCCCCCCCl 34a_100000766143_200009817547 [1,1,0,0,0,0|1,0,1]=4 5284 B10R0.71 O=CCOCCCCCCCl 7a_100000766143_200015260668 [1,1,0,0,0,0|1,0,1]=4 5285 B10R0.71 O=CCOCCCCCCF 34a_100000732779_200009817547 [1,1,0,0,0,0|1,0,1]=4 5286 B10R0.71 O=CCOCCCCCCF 7a_100000732779_200015260668 [1,1,0,0,0,0|1,0,1]=4 5287 B10R0.74 C=CC(C)COCCCCC 34a_100011215527_100000718602 [1,1,0,0,0,0|2,0,0]=4 5288 B10R0.74 C=CC(C)COCCCCC 7a_100011215527_100000210326 [1,1,0,0,0,0|2,0,0]=4 5289 B10R0.74 C=CC(C)OCCCCCC 34a_100000695699_100000210314 [1,1,0,0,0,0|0,0,1]=3 5290 B10R0.74 C=CC(C)OCCCCCF 34a_100000695699_100000729378 [1,1,0,0,0,0|1,0,1]=4 5291 B10R0.74 C=CC(C)OCCCCCO 34a_100000695699_100000746330 [1,1,0,0,0,0|1,0,1]=4 5292 B10R0.74 C=CC(C)OCCCCOC 34a_100000695699_100000755781 [1,1,0,0,0,0|1,0,1]=4 5293 B10R0.74 C=CC(C)OCCCOCC 34a_100000695699_100012232248 [1,1,0,0,0,0|1,0,1]=4 5294 B10R0.74 C=CC(C)OCCOCCC 34a_100000695699_100011215938 [1,1,0,0,0,0|1,0,1]=4 5295 B10R0.74 C=CC(C)OCOCCCC 34a_100000695699_100011995733 [1,1,0,0,0,0|1,0,1]=4 5296 B10R0.74 C=CC(C)SCCCCCC 62a_100011215867_100000210757 [1,1,0,0,0,0|0,1,1]=4 5297 B10R0.74 C=CC(O)CNCCCCC 2230a_100000209983_100000730141 [1,1,0,0,0,0|2,0,0]=4 5298 B10R0.74 C=CC(O)COCCCCC 34a_100000210253_100000730141 [1,1,0,0,0,0|2,0,0]=4 5299 B10R0.74 C=CC(O)COCCCCC 7a_100000210253_100000730141 [1,1,0,0,0,0|2,0,0]=4 5300 B10R0.74 C=CC(O)CSCCCCC 62a_100000210326_100000730141 [1,1,0,0,0,0|2,0,0]=4 5301 B10R0.74 C=CC(O)CSCCCCC 62a_100000730141_100000210326 [1,1,0,0,0,0|2,0,0]=4 5302 B10R0.74 C=CCCNCCC(C)CC 2230a_100020591266_100000754431 [1,1,0,0,0,0|2,0,0]=4 5303 B10R0.74 C=CCCOCCC(C)CC 7a_100011215188_100000754431 [1,1,0,0,0,0|2,0,0]=4 5304 B10R0.74 C=CCOCCCC(C)CC 7a_100011216074_100015514636 [1,1,0,0,0,0|0,0,1]=3 5305 B10R0.74 C=CCOCCC[C@@H](C)CN 34a_100160569302_100015514636 [1,1,0,0,0,0|1,0,1]=4 5306 B10R0.74 C=CCOCCOC(C)CC 34a_100000037705_100011215416 [1,1,0,0,0,0|1,0,1]=4 5307 B10R0.74 C=CCOCCOC(C)CC 7a_100000037705_100000758301 [1,1,0,0,0,0|1,0,1]=4 5308 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [1,1,0,0,0,0|2,0,0]=4 5309 B10R0.74 CCC(C)CCCOCC=O 7a_100011216074_200015260668 [1,1,0,0,0,0|1,0,1]=4 5310 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000749702 [0,2,0,0,0,0|2,0,0]=4 5311 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000749702 [0,2,0,0,0,0|2,0,0]=4 5312 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000749702 [0,2,0,0,0,0|2,0,0]=4 5313 B12R0.2 C=CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000749702 [0,2,0,0,0,0|2,0,0]=4 5314 B12R0.2 C=CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183597 [0,2,0,0,0,0|1,0,1]=4 5315 B12R0.2 C=CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183597 [0,2,0,0,0,0|1,0,1]=4 5316 B12R0.2 C=CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183597 [0,2,0,0,0,0|2,0,0]=4 5317 B12R0.2 C=CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183597 [0,2,0,0,0,0|2,0,0]=4 5318 B12R0.2 C=CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183597 [0,2,0,0,0,0|2,0,0]=4 5319 B12R0.2 C=CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183597 [0,2,0,0,0,0|2,0,0]=4 5320 B12R0.2 C=CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100020586998 [0,2,0,0,0,0|2,0,0]=4 5321 B12R0.2 C=CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100020586998 [0,2,0,0,0,0|2,0,0]=4 5322 B12R0.2 C=CCNC(=O)NC(C)CC(C)C 512a_100000692259_100020586998 [0,2,0,0,0,0|2,0,0]=4 5323 B12R0.2 C=CCNC(=O)NC(C)CC(C)C 512a_100020586998_100000692259 [0,2,0,0,0,0|2,0,0]=4 5324 B12R0.2 C=CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000033060 [0,2,0,0,0,0|0,0,1]=3 5325 B12R0.2 C=CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000033060 [0,2,0,0,0,0|1,0,1]=4 5326 B12R0.2 C=CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000033060 [0,2,0,0,0,0|0,0,1]=3 5327 B12R0.2 C=CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000033060 [0,2,0,0,0,0|1,0,1]=4 5328 B12R0.2 C=CCOC(=O)CN(C)CC(=C)C 2230a_100000225649_100000033060 [0,2,0,0,0,0|1,0,1]=4 5329 B12R0.2 C=CCOC(=O)CN(C)CC(=C)C 269982a_100000225649_100000033060 [0,2,0,0,0,0|1,0,1]=4 5330 B12R0.2 C=CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000033060 [0,2,0,0,0,0|1,0,0]=3 5331 B12R0.2 C=CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000033060 [0,2,0,0,0,0|1,0,0]=3 5332 B12R0.2 C=CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000033060 [0,2,0,0,0,0|1,0,0]=3 5333 B12R0.2 C=CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000033060 [0,2,0,0,0,0|1,0,0]=3 5334 B12R0.68 C=CC(C)CC(=O)CC(=O)CCC 1458a_100011934298_100000747444 [0,2,0,0,0,0|1,0,1]=4 5335 B12R0.68 C=CC(C)CC(=O)CC(C)CCC 1458a_100011934298_100011216630 [0,2,0,0,0,0|1,0,0]=3 5336 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 11a_100000741246_100011934298 [0,2,0,0,0,0|2,0,0]=4 5337 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 1626a_100000741246_100011934298 [0,2,0,0,0,0|2,0,0]=4 5338 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 240690a_100000741246_100011934298 [0,2,0,0,0,0|2,0,0]=4 5339 B12R0.68 C=CC(C)CC(=O)NC(C)CCC 527a_100000741246_100011934298 [0,2,0,0,0,0|2,0,0]=4 5340 B12R0.69 C=CCC(C)C(=O)CC(=O)CCC 1458a_100011216819_100000747444 [0,2,0,0,0,0|1,0,1]=4 5341 B12R0.69 C=CCC(C)C(=O)CC(C)CCC 1458a_100011216819_100011216630 [0,2,0,0,0,0|1,0,0]=3 5342 B12R0.69 C=CCC(C)C(=O)NC(C)CCC 11a_100000741246_100011216819 [0,2,0,0,0,0|2,0,0]=4 5343 B12R0.69 C=CCC(C)C(=O)NC(C)CCC 1626a_100000741246_100011216819 [0,2,0,0,0,0|2,0,0]=4 5344 B12R0.69 C=CCC(C)C(=O)NC(C)CCC 240690a_100000741246_100011216819 [0,2,0,0,0,0|2,0,0]=4 5345 B12R0.69 C=CCC(C)C(=O)NC(C)CCC 527a_100000741246_100011216819 [0,2,0,0,0,0|2,0,0]=4 5346 B12R0.69 C=CCN(C)C(=O)CC(=C)CCC 11a_100000225617_100000138376 [0,2,0,0,0,0|1,0,1]=4 5347 B12R0.69 C=CCN(C)C(=O)CC(=C)CCC 240690a_100000225617_100000138376 [0,2,0,0,0,0|1,0,1]=4 5348 B12R0.69 C=CCN(C)C(=O)CC(=C)CCC 527a_100000225617_100000138376 [0,2,0,0,0,0|1,0,1]=4 5349 B12R0.69 C=CCN(C)C(=O)CC(C)CCC 11a_100000225617_100000748435 [0,2,0,0,0,0|1,0,0]=3 5350 B12R0.69 C=CCN(C)C(=O)CC(C)CCC 1626a_100000225617_100000748435 [0,2,0,0,0,0|1,0,0]=3 5351 B12R0.69 C=CCN(C)C(=O)CC(C)CCC 240690a_100000225617_100000748435 [0,2,0,0,0,0|1,0,0]=3 5352 B12R0.69 C=CCN(C)C(=O)CC(C)CCC 527a_100000225617_100000748435 [0,2,0,0,0,0|1,0,0]=3 5353 B12R0.69 C=CCN(C)C(=O)CC(C)SCC 11a_100000225617_200011311441 [0,2,0,0,0,0|2,0,0]=4 5354 B12R0.69 C=CCN(C)C(=O)CC(C)SCC 1626a_100000225617_200011311441 [0,2,0,0,0,0|2,0,0]=4 5355 B12R0.69 C=CCN(C)C(=O)CC(C)SCC 240690a_100000225617_200011311441 [0,2,0,0,0,0|2,0,0]=4 5356 B12R0.69 C=CCN(C)C(=O)CC(C)SCC 527a_100000225617_200011311441 [0,2,0,0,0,0|2,0,0]=4 5357 B12R0.69 C=CCN(C)C(=O)CS(=O)CCC 11a_100000225617_100011387404 [0,2,0,0,0,0|2,0,0]=4 5358 B12R0.69 C=CCN(C)C(=O)CS(=O)CCC 1626a_100000225617_100011387404 [0,2,0,0,0,0|2,0,0]=4 5359 B12R0.69 C=CCN(C)C(=O)CS(=O)CCC 240690a_100000225617_100011387404 [0,2,0,0,0,0|2,0,0]=4 5360 B12R0.69 C=CCN(C)C(=O)CS(=O)CCC 527a_100000225617_100011387404 [0,2,0,0,0,0|2,0,0]=4 5361 B12R0.69 C=CCN(C)C(=O)NC(C)CCC 2708a_100000741246_100000225617 [0,2,0,0,0,0|2,0,0]=4 5362 B12R0.69 C=CCN(C)C(=O)NC(C)CCC 273464a_100000741246_100000225617 [0,2,0,0,0,0|2,0,0]=4 5363 B12R0.103 C#CCCC(=O)CC(=O)OCC=C 1458a_100000692101_100000033060 [0,2,0,0,0,0|0,0,2]=4 5364 B12R0.103 C=CC=CC(=O)NC(C)CCCC 1626a_100000126638_100016291481 [0,2,0,0,0,0|1,0,1]=4 5365 B12R0.103 C=CCCC(=O)CC(=O)NCCC 1458a_100000749702_100000183358 [0,2,0,0,0,0|1,0,1]=4 5366 B12R0.103 C=CCCC(=O)CC(=O)OCC=C 1458a_100000749702_100000033060 [0,2,0,0,0,0|0,0,2]=4 5367 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [0,2,0,0,0,0|1,0,1]=4 5368 B12R0.103 C=CCCC(=O)NC(C)CCCC 11a_100000126638_100000749702 [0,2,0,0,0,0|1,0,0]=3 5369 B12R0.103 C=CCCC(=O)NC(C)CCCC 1626a_100000126638_100000749702 [0,2,0,0,0,0|1,0,0]=3 5370 B12R0.103 C=CCCC(=O)NC(C)CCCC 240690a_100000126638_100000749702 [0,2,0,0,0,0|1,0,0]=3 5371 B12R0.103 C=CCCC(=O)NC(C)CCCC 527a_100000126638_100000749702 [0,2,0,0,0,0|1,0,0]=3 5372 B12R0.103 C=CCCN(C)CC(=O)OCC=C 2230a_100020639649_100000033060 [0,2,0,0,0,0|0,0,2]=4 5373 B12R0.103 C=CCCN(C)CC(=O)OCC=C 269982a_100020639649_100000033060 [0,2,0,0,0,0|0,0,2]=4 5374 B12R0.103 C=CCNC(=O)CC(=O)CCCC 1458a_100000210183_100000183597 [0,2,0,0,0,0|1,0,0]=3 5375 B12R0.103 C=CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183597 [0,2,0,0,0,0|1,0,1]=4 5376 B12R0.103 C=CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183597 [0,2,0,0,0,0|1,0,1]=4 5377 B12R0.103 C=CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183597 [0,2,0,0,0,0|1,0,1]=4 5378 B12R0.103 C=CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183597 [0,2,0,0,0,0|1,0,1]=4 5379 B12R0.103 C=CCNC(=O)CN(C)CCCC 2230a_100000207549_100000183597 [0,2,0,0,0,0|1,0,0]=3 5380 B12R0.103 C=CCNC(=O)CN(C)CCCC 269982a_100000207549_100000183597 [0,2,0,0,0,0|1,0,0]=3 5381 B12R0.103 C=CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183597 [0,2,0,0,0,0|2,0,0]=4 5382 B12R0.103 C=CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183597 [0,2,0,0,0,0|2,0,0]=4 5383 B12R0.103 C=CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183597 [0,2,0,0,0,0|2,0,0]=4 5384 B12R0.103 C=CCNC(=O)CN(C)CCOC 240690a_100020586998_100015184299 [0,2,0,0,0,0|2,0,0]=4 5385 B12R0.103 C=CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183597 [0,2,0,0,0,0|2,0,0]=4 5386 B12R0.103 C=CCNC(=O)CN(C)CCOC 527a_100020586998_100015184299 [0,2,0,0,0,0|2,0,0]=4 5387 B12R0.103 C=CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183597 [0,2,0,0,0,0|2,0,0]=4 5388 B12R0.103 C=CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183597 [0,2,0,0,0,0|2,0,0]=4 5389 B12R0.103 C=CCNC(=O)NC(C)CCCC 2708a_100000126638_100020586998 [0,2,0,0,0,0|1,0,0]=3 5390 B12R0.103 C=CCNC(=O)NC(C)CCCC 273464a_100000126638_100020586998 [0,2,0,0,0,0|1,0,0]=3 5391 B12R0.103 C=CCNC(=O)NC(C)CCCC 273464a_100020586998_100000126638 [0,2,0,0,0,0|1,0,0]=3 5392 B12R0.103 C=CCNC(=O)NC(C)CCCC 512a_100000126638_100020586998 [0,2,0,0,0,0|1,0,0]=3 5393 B12R0.103 C=CCNC(=O)NC(C)CCCC 512a_100020586998_100000126638 [0,2,0,0,0,0|1,0,0]=3 5394 B12R0.103 C=CCOC(=O)CC(=O)C#CCC 1458a_100011827653_100000033060 [0,2,0,0,0,0|0,0,2]=4 5395 B12R0.103 C=CCOC(=O)CC(=O)C=CCC 1458a_100000212282_100000033060 [0,2,0,0,0,0|0,0,2]=4 5396 B12R0.103 C=CCOC(=O)CC(=O)CC=CC 1458a_100121576822_100000033060 [0,2,0,0,0,0|0,0,2]=4 5397 B12R0.103 C=CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000033060 [0,2,0,0,0,0|0,0,2]=4 5398 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,2,0,0,0,0|0,0,0]=2 5399 B12R0.103 C=CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000033060 [0,2,0,0,0,0|0,0,1]=3 5400 B12R0.103 C=CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000033060 [0,2,0,0,0,0|0,0,1]=3 5401 B12R0.103 C=CCOC(=O)CC(=O)COCC 1458a_100000211967_100000033060 [0,2,0,0,0,0|0,0,1]=3 5402 B12R0.103 C=CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000033060 [0,2,0,0,0,0|0,0,1]=3 5403 B12R0.103 C=CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000033060 [0,2,0,0,0,0|1,0,1]=4 5404 B12R0.103 C=CCOC(=O)CN(C)CCCC 2230a_100000207549_100000033060 [0,2,0,0,0,0|0,0,0]=2 5405 B12R0.103 C=CCOC(=O)CN(C)CCCC 269982a_100000207549_100000033060 [0,2,0,0,0,0|0,0,0]=2 5406 B12R0.103 C=CCOC(=O)CN(C)CCCO 2230a_100000213112_100000033060 [0,2,0,0,0,0|1,0,0]=3 5407 B12R0.103 C=CCOC(=O)CN(C)CCCO 269982a_100000213112_100000033060 [0,2,0,0,0,0|1,0,0]=3 5408 B12R0.103 C=CCOC(=O)CN(C)CCOC 2230a_100000743101_100000033060 [0,2,0,0,0,0|1,0,0]=3 5409 B12R0.103 C=CCOC(=O)CN(C)CCOC 269982a_100000743101_100000033060 [0,2,0,0,0,0|1,0,0]=3 5410 B12R0.103 C=CCOC(=O)CN(C)CCSC 2230a_100000686725_100000033060 [0,2,0,0,0,0|1,0,0]=3 5411 B12R0.103 C=CCOC(=O)CN(C)CCSC 269982a_100000686725_100000033060 [0,2,0,0,0,0|1,0,0]=3 5412 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|0,0,2]=4 5413 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|0,0,2]=4 5414 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|0,0,2]=4 5415 B12R0.132 C=CCCC(=O)NC(CC)CCC 11a_100000747048_100000749702 [0,2,0,0,0,0|2,0,0]=4 5416 B12R0.132 C=CCCC(=O)NC(CC)CCC 1626a_100000747048_100000749702 [0,2,0,0,0,0|2,0,0]=4 5417 B12R0.132 C=CCCC(=O)NC(CC)CCC 240690a_100000747048_100000749702 [0,2,0,0,0,0|2,0,0]=4 5418 B12R0.132 C=CCCC(=O)NC(CC)CCC 527a_100000747048_100000749702 [0,2,0,0,0,0|2,0,0]=4 5419 B12R0.132 C=CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000749702 [0,2,0,0,0,0|2,0,0]=4 5420 B12R0.132 C=CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000749702 [0,2,0,0,0,0|2,0,0]=4 5421 B12R0.132 C=CCNC(=O)CN(CC)CCC 2230a_100000226822_100000183597 [0,2,0,0,0,0|2,0,0]=4 5422 B12R0.132 C=CCNC(=O)CN(CC)CCC 269982a_100000226822_100000183597 [0,2,0,0,0,0|2,0,0]=4 5423 B12R0.132 C=CCNC(=O)NC(CC)CCC 2708a_100000747048_100020586998 [0,2,0,0,0,0|2,0,0]=4 5424 B12R0.132 C=CCNC(=O)NC(CC)CCC 273464a_100000747048_100020586998 [0,2,0,0,0,0|2,0,0]=4 5425 B12R0.132 C=CCNC(=O)NC(CC)CCC 273464a_100020586998_100000747048 [0,2,0,0,0,0|2,0,0]=4 5426 B12R0.132 C=CCNC(=O)NC(CC)CCC 512a_100000747048_100020586998 [0,2,0,0,0,0|2,0,0]=4 5427 B12R0.132 C=CCNC(=O)NC(CC)CCC 512a_100020586998_100000747048 [0,2,0,0,0,0|2,0,0]=4 5428 B12R0.132 C=CCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100020586998 [0,2,0,0,0,0|2,0,0]=4 5429 B12R0.132 C=CCNC(=O)N[C@H](CO)CCC 273464a_100020586998_100000732646 [0,2,0,0,0,0|2,0,0]=4 5430 B12R0.132 C=CCNC(=O)N[C@H](CO)CCC 512a_100000732646_100020586998 [0,2,0,0,0,0|2,0,0]=4 5431 B12R0.132 C=CCNC(=O)N[C@H](CO)CCC 512a_100020586998_100000732646 [0,2,0,0,0,0|2,0,0]=4 5432 B12R0.132 C=CCOC(=O)CN(CC)CCC 2230a_100000226822_100000033060 [0,2,0,0,0,0|1,0,0]=3 5433 B12R0.132 C=CCOC(=O)CN(CC)CCC 269982a_100000226822_100000033060 [0,2,0,0,0,0|1,0,0]=3 5434 B12R0.132 C=CCOC(=O)CN(CC)CCO 2230a_100000210973_100000033060 [0,2,0,0,0,0|2,0,0]=4 5435 B12R0.132 C=CCOC(=O)CN(CC)CCO 269982a_100000210973_100000033060 [0,2,0,0,0,0|2,0,0]=4 5436 B12R0.134 C=CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000754431 [0,2,0,0,0,0|2,0,0]=4 5437 B12R0.134 C=CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183597 [0,2,0,0,0,0|1,0,1]=4 5438 B12R0.134 C=CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183597 [0,2,0,0,0,0|1,0,1]=4 5439 B12R0.134 C=CCNC(=O)CC(C)N(C)CC 1626a_100020586998_200015187196 [0,2,0,0,0,0|2,0,0]=4 5440 B12R0.134 C=CCNC(=O)CC(C)N(C)CC 240690a_100020586998_200015187196 [0,2,0,0,0,0|2,0,0]=4 5441 B12R0.134 C=CCNC(=O)CC(C)N(C)CC 527a_100020586998_200015187196 [0,2,0,0,0,0|2,0,0]=4 5442 B12R0.134 C=CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183597 [0,2,0,0,0,0|2,0,0]=4 5443 B12R0.134 C=CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183597 [0,2,0,0,0,0|2,0,0]=4 5444 B12R0.134 C=CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000033060 [0,2,0,0,0,0|0,0,1]=3 5445 B12R0.134 C=CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000033060 [0,2,0,0,0,0|1,0,1]=4 5446 B12R0.134 C=CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000033060 [0,2,0,0,0,0|1,0,1]=4 5447 B12R0.134 C=CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000033060 [0,2,0,0,0,0|0,0,1]=3 5448 B12R0.134 C=CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000033060 [0,2,0,0,0,0|1,0,1]=4 5449 B12R0.134 C=CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000033060 [0,2,0,0,0,0|1,0,0]=3 5450 B12R0.134 C=CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000033060 [0,2,0,0,0,0|1,0,0]=3 5451 B12R0.134 C=CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000033060 [0,2,0,0,0,0|2,0,0]=4 5452 B12R0.134 C=CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000033060 [0,2,0,0,0,0|2,0,0]=4 5453 B12R0.239 C#CCOCC(=O)CC(C)CCC 1458a_100011251226_100011216630 [0,2,0,0,0,0|0,0,2]=4 5454 B12R0.239 C/C=C/C(C)OC(C)CCCCC 34a_200102604097_200011218191 [0,2,0,0,0,0|1,0,1]=4 5455 B12R0.239 C/C=C/C=CC(=O)CC(C)CCC 1458a_100000185730_100011216630 [0,2,0,0,0,0|1,0,1]=4 5456 B12R0.239 C=CCC(=O)CC(=O)CCCCC 1458a_100000210193_200012276598 [0,2,0,0,0,0|1,0,0]=3 5457 B12R0.239 C=CCC(=O)CC(=O)NCCCC 1458a_100000210193_100000182744 [0,2,0,0,0,0|2,0,0]=4 5458 B12R0.239 C=CCC(=O)CC(=O)OCCCC 1458a_100000210193_100000211628 [0,2,0,0,0,0|2,0,0]=4 5459 B12R0.239 C=CCCCC(=O)CC(=C)CCC 1458a_100000138376_100000757094 [0,2,0,0,0,0|1,0,1]=4 5460 B12R0.239 C=CCCCC(=O)CC(=O)CCC 1458a_100000766728_100000747444 [0,2,0,0,0,0|1,0,1]=4 5461 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [0,2,0,0,0,0|1,0,0]=3 5462 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [0,2,0,0,0,0|1,0,0]=3 5463 B12R0.239 C=CCCCC(=O)CC(C)SCC 1458a_200011311441_100000757094 [0,2,0,0,0,0|2,0,0]=4 5464 B12R0.239 C=CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000757094 [0,2,0,0,0,0|2,0,0]=4 5465 B12R0.239 C=CCCCC(=O)NC(C)CCC 11a_100000741246_100000766728 [0,2,0,0,0,0|2,0,0]=4 5466 B12R0.239 C=CCCCC(=O)NC(C)CCC 1626a_100000741246_100000766728 [0,2,0,0,0,0|2,0,0]=4 5467 B12R0.239 C=CCCCC(=O)NC(C)CCC 240690a_100000741246_100000766728 [0,2,0,0,0,0|2,0,0]=4 5468 B12R0.239 C=CCCCC(=O)NC(C)CCC 527a_100000741246_100000766728 [0,2,0,0,0,0|2,0,0]=4 5469 B12R0.239 C=CCCNC(=O)CC(=C)CCC 11a_100015191253_100000138376 [0,2,0,0,0,0|1,0,1]=4 5470 B12R0.239 C=CCCNC(=O)CC(=C)CCC 240690a_100015191253_100000138376 [0,2,0,0,0,0|1,0,1]=4 5471 B12R0.239 C=CCCNC(=O)CC(=C)CCC 527a_100015191253_100000138376 [0,2,0,0,0,0|1,0,1]=4 5472 B12R0.239 C=CCCNC(=O)CC(C)CCC 11a_100015191253_100000748435 [0,2,0,0,0,0|1,0,0]=3 5473 B12R0.239 C=CCCNC(=O)CC(C)CCC 1626a_100015191253_100000748435 [0,2,0,0,0,0|1,0,0]=3 5474 B12R0.239 C=CCCNC(=O)CC(C)CCC 240690a_100015191253_100000748435 [0,2,0,0,0,0|1,0,0]=3 5475 B12R0.239 C=CCCNC(=O)CC(C)CCC 527a_100015191253_100000748435 [0,2,0,0,0,0|1,0,0]=3 5476 B12R0.239 C=CCCNC(=O)CC(C)SCC 11a_100015191253_200011311441 [0,2,0,0,0,0|2,0,0]=4 5477 B12R0.239 C=CCCNC(=O)CC(C)SCC 1626a_100015191253_200011311441 [0,2,0,0,0,0|2,0,0]=4 5478 B12R0.239 C=CCCNC(=O)CC(C)SCC 240690a_100015191253_200011311441 [0,2,0,0,0,0|2,0,0]=4 5479 B12R0.239 C=CCCNC(=O)CC(C)SCC 527a_100015191253_200011311441 [0,2,0,0,0,0|2,0,0]=4 5480 B12R0.239 C=CCCNC(=O)CS(=O)CCC 11a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 5481 B12R0.239 C=CCCNC(=O)CS(=O)CCC 1626a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 5482 B12R0.239 C=CCCNC(=O)CS(=O)CCC 240690a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 5483 B12R0.239 C=CCCNC(=O)CS(=O)CCC 527a_100015191253_100011387404 [0,2,0,0,0,0|2,0,0]=4 5484 B12R0.239 C=CCCNC(=O)NC(C)CCC 2708a_100000741246_100015191253 [0,2,0,0,0,0|2,0,0]=4 5485 B12R0.239 C=CCCNC(=O)NC(C)CCC 2708a_100015191253_100000741246 [0,2,0,0,0,0|2,0,0]=4 5486 B12R0.239 C=CCCNC(=O)NC(C)CCC 273464a_100000741246_100015191253 [0,2,0,0,0,0|2,0,0]=4 5487 B12R0.239 C=CCCNC(=O)NC(C)CCC 512a_100000741246_100015191253 [0,2,0,0,0,0|2,0,0]=4 5488 B12R0.239 C=CCCNC(=O)NC(C)CCC 512a_100015191253_100000741246 [0,2,0,0,0,0|2,0,0]=4 5489 B12R0.239 C=CCN(C)CC(=O)CCCCC 2230a_100000225617_200012276598 [0,2,0,0,0,0|1,0,0]=3 5490 B12R0.239 C=CCN(C)CC(=O)CCCCC 269982a_100000225617_200012276598 [0,2,0,0,0,0|1,0,0]=3 5491 B12R0.239 C=CCN(C)CC(=O)NCCCC 2230a_100000225617_100000182744 [0,2,0,0,0,0|2,0,0]=4 5492 B12R0.239 C=CCN(C)CC(=O)NCCCC 2230a_200000213093_100000210623 [0,2,0,0,0,0|2,0,0]=4 5493 B12R0.239 C=CCN(C)CC(=O)NCCCC 269982a_100000225617_100000182744 [0,2,0,0,0,0|2,0,0]=4 5494 B12R0.239 C=CCN(C)CC(=O)NCCCC 269982a_200000213093_100000210623 [0,2,0,0,0,0|2,0,0]=4 5495 B12R0.239 C=CCN(C)CC(=O)OCCCC 2230a_100000225617_100000211628 [0,2,0,0,0,0|2,0,0]=4 5496 B12R0.239 C=CCN(C)CC(=O)OCCCC 269982a_100000225617_100000211628 [0,2,0,0,0,0|2,0,0]=4 5497 B12R0.239 C=CCNNC(=O)CC(=C)CCC 22a_100020588587_100000138376 [0,2,0,0,0,0|1,0,1]=4 5498 B12R0.239 C=CCNNC(=O)CC(C)CCC 22a_100020588587_100000748435 [0,2,0,0,0,0|1,0,0]=3 5499 B12R0.239 C=CCNNC(=O)CC(C)SCC 22a_100020588587_200011311441 [0,2,0,0,0,0|2,0,0]=4 5500 B12R0.239 C=CCNNC(=O)CS(=O)CCC 22a_100020588587_100011387404 [0,2,0,0,0,0|2,0,0]=4 5501 B12R0.239 C=CCNNC(=O)NC(C)CCC 273464a_100000741246_100020588587 [0,2,0,0,0,0|2,0,0]=4 5502 B12R0.239 C=CCNNC(=O)NC(C)CCC 512a_100000741246_100020588587 [0,2,0,0,0,0|2,0,0]=4 5503 B12R0.239 C=CCNNC(=O)NC(C)CCC 512a_100020588587_100000741246 [0,2,0,0,0,0|2,0,0]=4 5504 B12R0.239 C=CCSCC(=O)CC(=O)CCC 1458a_100000230395_100000747444 [0,2,0,0,0,0|0,1,1]=4 5505 B12R0.239 C=CCSCC(=O)CC(C)CCC 1458a_100000230395_100011216630 [0,2,0,0,0,0|0,1,0]=3 5506 B12R0.239 C=CCSCC(=O)NC(C)CCC 11a_100000741246_100000230395 [0,2,0,0,0,0|1,1,0]=4 5507 B12R0.239 C=CCSCC(=O)NC(C)CCC 1626a_100000741246_100000230395 [0,2,0,0,0,0|1,1,0]=4 5508 B12R0.239 C=CCSCC(=O)NC(C)CCC 240690a_100000741246_100000230395 [0,2,0,0,0,0|1,1,0]=4 5509 B12R0.239 C=CCSCC(=O)NC(C)CCC 527a_100000741246_100000230395 [0,2,0,0,0,0|1,1,0]=4 5510 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 34a_100000731007_200011218191 [0,2,0,0,0,0|1,0,1]=4 5511 B12R0.239 C=CC[C@@H](C)OC(C)CCCCC 7a_100000731007_200011218191 [0,2,0,0,0,0|1,0,1]=4 5512 B12R0.239 C=COC(=O)CC(=O)CCCCC 1458a_100000212188_100000036128 [0,2,0,0,0,0|1,0,1]=4 5513 B12R0.239 C=COCCC(=O)CC(=C)CCC 1458a_100000138376_100000039644 [0,2,0,0,0,0|1,0,1]=4 5514 B12R0.239 C=COCCC(=O)CC(C)CCC 1458a_100000748435_100000039644 [0,2,0,0,0,0|1,0,0]=3 5515 B12R0.239 C=COCCC(=O)CC(C)SCC 1458a_200011311441_100000039644 [0,2,0,0,0,0|2,0,0]=4 5516 B12R0.239 C=COCCC(=O)CS(=O)CCC 1458a_100011387404_100000039644 [0,2,0,0,0,0|2,0,0]=4 5517 B12R0.239 CC=CC(=O)CC(=O)CCCCC 1458a_100000210699_200012276598 [0,2,0,0,0,0|1,0,1]=4 5518 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,2,0,0,0,0|1,0,1]=4 5519 B12R0.239 CCCCCC(=O)CC(=O)C=CBr 1458a_100016273825_200012276598 [0,2,0,0,0,0|1,0,1]=4 5520 B12R0.239 CCCCCC(=O)CC(=O)C=CCl 1458a_200016279998_200012276598 [0,2,0,0,0,0|1,0,1]=4 5521 B12R0.239 CCCCCC(=O)CC(=O)C=CI 1458a_100016256311_200012276598 [0,2,0,0,0,0|1,0,1]=4 5522 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,2,0,0,0,0|0,0,2]=4 5523 B12R0.283 C=C(C)CCC(=O)CC(=C)CCC 1458a_100000138376_100000730704 [0,2,0,0,0,0|1,0,1]=4 5524 B12R0.283 C=C(C)CCC(=O)CC(=O)CCC 1458a_200000688413_100000747444 [0,2,0,0,0,0|1,0,1]=4 5525 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_100000748435_100000730704 [0,2,0,0,0,0|1,0,0]=3 5526 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_200000688413_100011216630 [0,2,0,0,0,0|1,0,0]=3 5527 B12R0.283 C=C(C)CCC(=O)CC(C)SCC 1458a_200011311441_100000730704 [0,2,0,0,0,0|2,0,0]=4 5528 B12R0.283 C=C(C)CCC(=O)CS(=O)CCC 1458a_100011387404_100000730704 [0,2,0,0,0,0|2,0,0]=4 5529 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 11a_100000741246_200000688413 [0,2,0,0,0,0|2,0,0]=4 5530 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 1626a_100000741246_200000688413 [0,2,0,0,0,0|2,0,0]=4 5531 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 240690a_100000741246_200000688413 [0,2,0,0,0,0|2,0,0]=4 5532 B12R0.283 C=C(C)CCC(=O)NC(C)CCC 527a_100000741246_200000688413 [0,2,0,0,0,0|2,0,0]=4 5533 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 11a_100000765925_100000138376 [0,2,0,0,0,0|1,0,1]=4 5534 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 240690a_100000765925_100000138376 [0,2,0,0,0,0|1,0,1]=4 5535 B12R0.283 C=C(C)CNC(=O)CC(=C)CCC 527a_100000765925_100000138376 [0,2,0,0,0,0|1,0,1]=4 5536 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 11a_100000765925_100000748435 [0,2,0,0,0,0|1,0,0]=3 5537 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 1626a_100000765925_100000748435 [0,2,0,0,0,0|1,0,0]=3 5538 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 240690a_100000765925_100000748435 [0,2,0,0,0,0|1,0,0]=3 5539 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 527a_100000765925_100000748435 [0,2,0,0,0,0|1,0,0]=3 5540 B12R0.283 C=C(C)CNC(=O)CC(C)SCC 11a_100000765925_200011311441 [0,2,0,0,0,0|2,0,0]=4 5541 B12R0.283 C=C(C)CNC(=O)CC(C)SCC 1626a_100000765925_200011311441 [0,2,0,0,0,0|2,0,0]=4 5542 B12R0.283 C=C(C)CNC(=O)CC(C)SCC 240690a_100000765925_200011311441 [0,2,0,0,0,0|2,0,0]=4 5543 B12R0.283 C=C(C)CNC(=O)CC(C)SCC 527a_100000765925_200011311441 [0,2,0,0,0,0|2,0,0]=4 5544 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 11a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 5545 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 1626a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 5546 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 240690a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 5547 B12R0.283 C=C(C)CNC(=O)CS(=O)CCC 527a_100000765925_100011387404 [0,2,0,0,0,0|2,0,0]=4 5548 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 2708a_100000741246_100000765925 [0,2,0,0,0,0|2,0,0]=4 5549 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 2708a_100000765925_100000741246 [0,2,0,0,0,0|2,0,0]=4 5550 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 273464a_100000741246_100000765925 [0,2,0,0,0,0|2,0,0]=4 5551 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 512a_100000741246_100000765925 [0,2,0,0,0,0|2,0,0]=4 5552 B12R0.283 C=C(C)CNC(=O)NC(C)CCC 512a_100000765925_100000741246 [0,2,0,0,0,0|2,0,0]=4 5553 B12R0.283 CCCC(C)CC(=O)CCC(=O)N 1458a_100011215257_100011216630 [0,2,0,0,0,0|2,0,0]=4 5554 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 11a_100000711301_100000748435 [0,2,0,0,0,0|2,0,0]=4 5555 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 240690a_100000711301_100000748435 [0,2,0,0,0,0|2,0,0]=4 5556 B12R0.283 CCCC(C)CC(=O)NCC(=O)N 527a_100000711301_100000748435 [0,2,0,0,0,0|2,0,0]=4 5557 B12R0.353 C=CCC(C)C(=O)C(C)CCCC 1458a_100011216819_200011215066 [0,2,0,0,0,0|1,0,0]=3 5558 B12R0.353 C=CCC(C)C(=O)N(C)CCCC 11a_100000207549_100011216819 [0,2,0,0,0,0|2,0,0]=4 5559 B12R0.353 C=CCC(C)C(=O)N(C)CCCC 1626a_100000207549_100011216819 [0,2,0,0,0,0|2,0,0]=4 5560 B12R0.353 C=CCC(C)C(=O)N(C)CCCC 240690a_100000207549_100011216819 [0,2,0,0,0,0|2,0,0]=4 5561 B12R0.353 C=CCC(C)C(=O)N(C)CCCC 527a_100000207549_100011216819 [0,2,0,0,0,0|2,0,0]=4 5562 B12R0.353 C=CCN(C)C(=O)C(C)CCCC 11a_100000225617_100000725509 [0,2,0,0,0,0|1,0,0]=3 5563 B12R0.353 C=CCN(C)C(=O)C(C)CCCC 1626a_100000225617_100000725509 [0,2,0,0,0,0|1,0,0]=3 5564 B12R0.353 C=CCN(C)C(=O)C(C)CCCC 240690a_100000225617_100000725509 [0,2,0,0,0,0|1,0,0]=3 5565 B12R0.353 C=CCN(C)C(=O)C(C)CCCC 527a_100000225617_100000725509 [0,2,0,0,0,0|1,0,0]=3 5566 B12R0.353 C=CCN(C)C(=O)C(O)CCCC 240690a_100000225617_100000720857 [0,2,0,0,0,0|1,0,0]=3 5567 B12R0.353 C=CCN(C)C(=O)C(O)CCCC 527a_100000225617_100000720857 [0,2,0,0,0,0|1,0,0]=3 5568 B12R0.353 C=CCN(C)C(=O)C(O)CCSC 240690a_100000225617_100000685904 [0,2,0,0,0,0|2,0,0]=4 5569 B12R0.353 C=CCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230288 [0,2,0,0,0,0|1,0,1]=4 5570 B12R0.353 C=CCNC(=O)C(C)N(C)CCC 2230a_100000747261_100000230288 [0,2,0,0,0,0|2,0,0]=4 5571 B12R0.353 C=CCNC(=O)C(C)N(C)CCC 269982a_100000747261_100000230288 [0,2,0,0,0,0|2,0,0]=4 5572 B12R0.453 C=CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000754431 [0,2,0,0,0,0|1,0,0]=3 5573 B12R0.453 C=CCNC(=O)CC(C)(O)CCC 240690a_100020586998_100011667670 [0,2,0,0,0,0|1,0,0]=3 5574 B12R0.453 C=CCNC(=O)CC(C)(O)CCC 527a_100020586998_100011667670 [0,2,0,0,0,0|1,0,0]=3 5575 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_100000725509_100000730704 [0,2,0,0,0,0|1,0,0]=3 5576 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_200000688413_200011215066 [0,2,0,0,0,0|1,0,0]=3 5577 B12R0.98 C=C(C)CCC(=O)C(O)CCCC 1458a_100000720857_100000730704 [0,2,0,0,0,0|1,0,0]=3 5578 B12R0.98 C=C(C)CCC(=O)C(O)CCSC 1458a_100000685904_100000730704 [0,2,0,0,0,0|2,0,0]=4 5579 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 11a_100000207549_200000688413 [0,2,0,0,0,0|2,0,0]=4 5580 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 1626a_100000207549_200000688413 [0,2,0,0,0,0|2,0,0]=4 5581 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 240690a_100000207549_200000688413 [0,2,0,0,0,0|2,0,0]=4 5582 B12R0.98 C=C(C)CCC(=O)N(C)CCCC 527a_100000207549_200000688413 [0,2,0,0,0,0|2,0,0]=4 5583 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 11a_100000765925_100000725509 [0,2,0,0,0,0|1,0,0]=3 5584 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 1626a_100000765925_100000725509 [0,2,0,0,0,0|1,0,0]=3 5585 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 240690a_100000765925_100000725509 [0,2,0,0,0,0|1,0,0]=3 5586 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 527a_100000765925_100000725509 [0,2,0,0,0,0|1,0,0]=3 5587 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 240690a_100000765925_100000720857 [0,2,0,0,0,0|1,0,0]=3 5588 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 527a_100000765925_100000720857 [0,2,0,0,0,0|1,0,0]=3 5589 B12R0.98 C=C(C)CNC(=O)C(O)CCSC 240690a_100000765925_100000685904 [0,2,0,0,0,0|2,0,0]=4 5590 B12R0.98 C=C(C)CNC(=O)N(C)CCCC 2708a_100000765925_100000207549 [0,2,0,0,0,0|2,0,0]=4 5591 B12R0.98 C=C(C)CNC(=O)N(C)CCCC 273464a_100000765925_100000207549 [0,2,0,0,0,0|2,0,0]=4 5592 B12R0.98 C=CC=CC(=O)C(C)CCC(C)C 1458a_100016291481_100011261404 [0,2,0,0,0,0|1,0,1]=4 5593 B12R0.98 C=CCCC(=O)C(C)CCC(C)C 1458a_100000749702_100011261404 [0,2,0,0,0,0|1,0,0]=3 5594 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000749702 [0,2,0,0,0,0|2,0,0]=4 5595 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000749702 [0,2,0,0,0,0|2,0,0]=4 5596 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000749702 [0,2,0,0,0,0|2,0,0]=4 5597 B12R0.98 C=CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000749702 [0,2,0,0,0,0|2,0,0]=4 5598 B12R0.98 C=CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230288 [0,2,0,0,0,0|2,0,0]=4 5599 B12R0.98 C=CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230288 [0,2,0,0,0,0|2,0,0]=4 5600 B12R0.98 C=CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230288 [0,2,0,0,0,0|2,0,0]=4 5601 B12R0.98 C=CCNC(=O)C(C)SCC(C)C 62a_100000230288_100000210760 [0,2,0,0,0,0|2,0,0]=4 5602 B12R0.98 C=CCNC(=O)C(C)SCC(C)O 62a_100000230288_100011218427 [0,2,0,0,0,0|2,0,0]=4 5603 B12R0.98 C=CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230288 [0,2,0,0,0,0|2,0,0]=4 5604 B12R0.98 C=CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230288_100009817552 [0,2,0,0,0,0|2,0,0]=4 5605 B12R0.98 C=CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230288 [0,2,0,0,0,0|2,0,0]=4 5606 B12R0.98 C=CCNC(=O)N(C)CCC(C)C 273464a_100020586998_100000742789 [0,2,0,0,0,0|2,0,0]=4 5607 B12R0.98 CCCCC(C)C(=O)CCC(=O)N 1458a_100011215257_200011215066 [0,2,0,0,0,0|2,0,0]=4 5608 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 11a_100000711301_100000725509 [0,2,0,0,0,0|2,0,0]=4 5609 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 240690a_100000711301_100000725509 [0,2,0,0,0,0|2,0,0]=4 5610 B12R0.98 CCCCC(C)C(=O)NCC(=O)N 527a_100000711301_100000725509 [0,2,0,0,0,0|2,0,0]=4 5611 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 240690a_100000711301_100000720857 [0,2,0,0,0,0|2,0,0]=4 5612 B12R0.98 CCCCC(O)C(=O)NCC(=O)N 527a_100000711301_100000720857 [0,2,0,0,0,0|2,0,0]=4 5613 B12R0.252 C=CC(C)CC(=O)C(C)CCCC 1458a_100011934298_200011215066 [0,2,0,0,0,0|1,0,0]=3 5614 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 11a_100000207549_100011934298 [0,2,0,0,0,0|2,0,0]=4 5615 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 1626a_100000207549_100011934298 [0,2,0,0,0,0|2,0,0]=4 5616 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 240690a_100000207549_100011934298 [0,2,0,0,0,0|2,0,0]=4 5617 B12R0.252 C=CC(C)CC(=O)N(C)CCCC 527a_100000207549_100011934298 [0,2,0,0,0,0|2,0,0]=4 5618 B12R0.252 C=CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000754431 [0,2,0,0,0,0|2,0,0]=4 5619 B12R0.252 C=CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000749702 [0,2,0,0,0,0|2,0,0]=4 5620 B12R0.252 C=CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000749702 [0,2,0,0,0,0|2,0,0]=4 5621 B12R0.252 C=CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000749702 [0,2,0,0,0,0|2,0,0]=4 5622 B12R0.252 C=CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000749702 [0,2,0,0,0,0|2,0,0]=4 5623 B12R0.252 C=CCNC(=O)C(C)CN(C)CC 1626a_100020586998_200015185930 [0,2,0,0,0,0|2,0,0]=4 5624 B12R0.252 C=CCNC(=O)C(C)CN(C)CC 240690a_100020586998_200015185930 [0,2,0,0,0,0|2,0,0]=4 5625 B12R0.252 C=CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230288 [0,2,0,0,0,0|2,0,0]=4 5626 B12R0.252 C=CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230288 [0,2,0,0,0,0|2,0,0]=4 5627 B12R0.252 C=CCNC(=O)C(C)SC(C)CC 62a_100000230288_100000758301 [0,2,0,0,0,0|2,0,0]=4 5628 B12R0.252 C=CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230288 [0,2,0,0,0,0|2,0,0]=4 5629 B12R0.252 C=CCNC(=O)N(C)CC(C)CC 273464a_100020586998_100000753921 [0,2,0,0,0,0|2,0,0]=4 5630 B12R0.291 C=CCCC(=O)C(C)(C)CCCC 1458a_100011216040_100000754431 [0,2,0,0,0,0|1,0,0]=3 5631 B12R0.291 C=CCCC(=O)C(C)(O)CCCC 1458a_100000137666_100000754431 [0,2,0,0,0,0|1,0,0]=3 5632 B12R0.291 C=CCCC(=O)C(F)(F)CCCC 1458a_100000100317_100000754431 [0,2,0,0,0,0|1,0,0]=3 5633 B12R0.291 C=CCNC(=O)C(C)(C)CCCC 1626a_100020586998_100011216040 [0,2,0,0,0,0|1,0,0]=3 5634 B12R0.291 C=CCNC(=O)C(C)(C)CCCC 240690a_100020586998_100011216040 [0,2,0,0,0,0|1,0,0]=3 5635 B12R0.291 C=CCNC(=O)C(C)(C)CCCC 527a_100020586998_100011216040 [0,2,0,0,0,0|1,0,0]=3 5636 B12R0.291 C=CCNC(=O)C(C)(O)CCCC 240690a_100020586998_100000137666 [0,2,0,0,0,0|1,0,0]=3 5637 B12R0.291 C=CCNC(=O)C(F)(F)CCCC 1626a_100020586998_100000100317 [0,2,0,0,0,0|1,0,0]=3 5638 B12R0.291 C=CCNC(=O)C(F)(F)CCCC 240690a_100020586998_100000100317 [0,2,0,0,0,0|1,0,0]=3 5639 B12R0.291 C=CCNC(=O)C(F)(F)CCCC 527a_100020586998_100000100317 [0,2,0,0,0,0|1,0,0]=3 5640 B12R0.291 C=CCOC(=O)C(F)(F)NCCF 34a_100000724931_200000069019 [0,2,0,0,0,0|2,0,0]=4 5641 B12R0.291 C=CCOC(=O)C(F)(F)NCCO 34a_100016990907_200000069019 [0,2,0,0,0,0|2,0,0]=4 5642 B12R0.291 C=CCOC(=O)C(F)(F)OCCBr 34a_100000211926_200000069019 [0,2,0,0,0,0|2,0,0]=4 5643 B12R0.291 C=CCOC(=O)C(F)(F)OCCC 34a_100000210258_200000069019 [0,2,0,0,0,0|1,0,0]=3 5644 B12R0.291 C=CCOC(=O)C(F)(F)OCCN 34a_100000210304_200000069019 [0,2,0,0,0,0|2,0,0]=4 5645 B12R0.291 C=CCOC(=O)C(F)(F)SCCC 62a_100000210303_200000069019 [0,2,0,0,0,0|1,0,0]=3 5646 B12R0.291 C=CCOC(=O)C(F)(F)SCCC 62a_200000069019_100000210303 [0,2,0,0,0,0|1,0,0]=3 5647 B12R0.291 C=CCOC(=O)C(F)(F)SCCF 62a_100011217306_200000069019 [0,2,0,0,0,0|2,0,0]=4 5648 B12R0.291 C=CCOC(=O)C(F)(F)SCCF 62a_200000069019_100011217306 [0,2,0,0,0,0|2,0,0]=4 5649 B12R0.291 C=CCOC(=O)C(F)(F)SCCO 62a_100000211926_200000069019 [0,2,0,0,0,0|2,0,0]=4 5650 B12R0.291 C=CCOC(=O)C(F)(F)SCCO 62a_200000069019_100000211926 [0,2,0,0,0,0|2,0,0]=4 5651 B12R0.291 C=CCOC(=O)C(F)(F)SCOC 62a_100000766300_200000069019 [0,2,0,0,0,0|2,0,0]=4 5652 B12R0.291 C=CCOC(=O)C(F)(F)SCOC 62a_200000069019_100000766300 [0,2,0,0,0,0|2,0,0]=4 5653 B12R0.291 C=CCOC(=O)C(F)(F)SCSC 62a_100011218213_200000069019 [0,2,0,0,0,0|2,0,0]=4 5654 B12R0.291 C=CCOC(=O)C(F)(F)SCSC 62a_200000069019_100011218213 [0,2,0,0,0,0|2,0,0]=4 5655 B12R0.351 C=CC=CC(=O)C(CC)CCCC 1458a_100016291481_200011216223 [0,2,0,0,0,0|1,0,1]=4 5656 B12R0.351 C=CCCC(=O)C(CC)CCCC 1458a_100000211130_100000754431 [0,2,0,0,0,0|1,0,0]=3 5657 B12R0.351 C=CCCC(=O)C(CC)CCCC 1458a_100000749702_200011216223 [0,2,0,0,0,0|1,0,0]=3 5658 B12R0.351 C=CCCC(=O)N(CC)CCCC 11a_100000207695_100000749702 [0,2,0,0,0,0|2,0,0]=4 5659 B12R0.351 C=CCCC(=O)N(CC)CCCC 1626a_100000207695_100000749702 [0,2,0,0,0,0|2,0,0]=4 5660 B12R0.351 C=CCCC(=O)N(CC)CCCC 240690a_100000207695_100000749702 [0,2,0,0,0,0|2,0,0]=4 5661 B12R0.351 C=CCCC(=O)N(CC)CCCC 527a_100000207695_100000749702 [0,2,0,0,0,0|2,0,0]=4 5662 B12R0.351 C=CCNC(=O)C(CC)CCCC 1626a_100020586998_100000211130 [0,2,0,0,0,0|1,0,0]=3 5663 B12R0.351 C=CCNC(=O)C(CC)CCCC 240690a_100020586998_100000211130 [0,2,0,0,0,0|1,0,0]=3 5664 B12R0.351 C=CCNC(=O)C(CC)CCCC 527a_100020586998_100000211130 [0,2,0,0,0,0|1,0,0]=3 5665 B12R0.351 C=CCNC(=O)N(CC)CCCC 273464a_100020586998_100000207695 [0,2,0,0,0,0|2,0,0]=4 5666 B12R0.351 C=CCOC(C)C(CC)CCCC 34a_200011290779_100015514636 [0,2,0,0,0,0|1,0,1]=4 5667 B12R0.351 C=CCOC(C)C(CC)CCCC 7a_200011290779_100015514636 [0,2,0,0,0,0|1,0,1]=4 5668 B12R0.648 C#CCOCC(=O)C(C)CCCC 1458a_100011251226_200011215066 [0,2,0,0,0,0|0,0,2]=4 5669 B12R0.648 C/C=C/C=CC(=O)C(C)CCCC 1458a_100000185730_200011215066 [0,2,0,0,0,0|1,0,1]=4 5670 B12R0.648 C=CC=CC(=O)C(C)CCCCC 1458a_100016291481_200011218191 [0,2,0,0,0,0|1,0,1]=4 5671 B12R0.648 C=CC=CC(=O)N(C)CCCCC 1626a_100000223495_100016291481 [0,2,0,0,0,0|1,0,1]=4 5672 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100000749702_200011218191 [0,2,0,0,0,0|1,0,0]=3 5673 B12R0.648 C=CCCC(=O)C(C)CCCCC 1458a_100011215998_100000754431 [0,2,0,0,0,0|1,0,0]=3 5674 B12R0.648 C=CCCC(=O)C(C)SCCCC 1458a_100000191163_100000754431 [0,2,0,0,0,0|1,0,0]=3 5675 B12R0.648 C=CCCC(=O)N(C)CCCCC 11a_100000223495_100000749702 [0,2,0,0,0,0|1,0,0]=3 5676 B12R0.648 C=CCCC(=O)N(C)CCCCC 1626a_100000223495_100000749702 [0,2,0,0,0,0|1,0,0]=3 5677 B12R0.648 C=CCCC(=O)N(C)CCCCC 240690a_100000223495_100000749702 [0,2,0,0,0,0|1,0,0]=3 5678 B12R0.648 C=CCCC(=O)N(C)CCCCC 527a_100000223495_100000749702 [0,2,0,0,0,0|1,0,0]=3 5679 B12R0.648 C=CCCC(=O)N(C)CCCCO 240690a_100000717598_100000749702 [0,2,0,0,0,0|2,0,0]=4 5680 B12R0.648 C=CCCC(=O)N(C)CCCOC 11a_100000224831_100000749702 [0,2,0,0,0,0|2,0,0]=4 5681 B12R0.648 C=CCCC(=O)N(C)CCCOC 1626a_100000224831_100000749702 [0,2,0,0,0,0|2,0,0]=4 5682 B12R0.648 C=CCCC(=O)N(C)CCCOC 240690a_100000224831_100000749702 [0,2,0,0,0,0|2,0,0]=4 5683 B12R0.648 C=CCCC(=O)N(C)CCCOC 527a_100000224831_100000749702 [0,2,0,0,0,0|2,0,0]=4 5684 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000725509_100000757094 [0,2,0,0,0,0|1,0,0]=3 5685 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000766728_200011215066 [0,2,0,0,0,0|1,0,0]=3 5686 B12R0.648 C=CCCCC(=O)C(O)CCCC 1458a_100000720857_100000757094 [0,2,0,0,0,0|1,0,0]=3 5687 B12R0.648 C=CCCCC(=O)C(O)CCSC 1458a_100000685904_100000757094 [0,2,0,0,0,0|2,0,0]=4 5688 B12R0.648 C=CCCCC(=O)N(C)CCCC 11a_100000207549_100000766728 [0,2,0,0,0,0|2,0,0]=4 5689 B12R0.648 C=CCCCC(=O)N(C)CCCC 1626a_100000207549_100000766728 [0,2,0,0,0,0|2,0,0]=4 5690 B12R0.648 C=CCCCC(=O)N(C)CCCC 240690a_100000207549_100000766728 [0,2,0,0,0,0|2,0,0]=4 5691 B12R0.648 C=CCCCC(=O)N(C)CCCC 527a_100000207549_100000766728 [0,2,0,0,0,0|2,0,0]=4 5692 B12R0.648 C=CCCN(C)C(=O)CCCCC 11a_100020639649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5693 B12R0.648 C=CCCN(C)C(=O)CCCCC 1626a_100020639649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5694 B12R0.648 C=CCCN(C)C(=O)CCCCC 240690a_100020639649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5695 B12R0.648 C=CCCN(C)C(=O)CCCCC 527a_100020639649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5696 B12R0.648 C=CCCN(C)C(=O)CCCCO 1626a_100020639649_100000695505 [0,2,0,0,0,0|2,0,0]=4 5697 B12R0.648 C=CCCN(C)C(=O)CCCOC 11a_100020639649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5698 B12R0.648 C=CCCN(C)C(=O)CCCOC 1626a_100020639649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5699 B12R0.648 C=CCCN(C)C(=O)CCCOC 240690a_100020639649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5700 B12R0.648 C=CCCN(C)C(=O)CCCOC 527a_100020639649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5701 B12R0.648 C=CCCN(C)C(=O)CCCSC 11a_100020639649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5702 B12R0.648 C=CCCN(C)C(=O)CCCSC 1626a_100020639649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5703 B12R0.648 C=CCCN(C)C(=O)CCCSC 240690a_100020639649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5704 B12R0.648 C=CCCN(C)C(=O)CCCSC 527a_100020639649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5705 B12R0.648 C=CCCN(C)C(=O)CCOCC 11a_100020639649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5706 B12R0.648 C=CCCN(C)C(=O)CCOCC 1626a_100020639649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5707 B12R0.648 C=CCCN(C)C(=O)CCOCC 240690a_100020639649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5708 B12R0.648 C=CCCN(C)C(=O)CCOCC 527a_100020639649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5709 B12R0.648 C=CCCN(C)C(=O)CCSCC 11a_100020639649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5710 B12R0.648 C=CCCN(C)C(=O)CCSCC 1626a_100020639649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5711 B12R0.648 C=CCCN(C)C(=O)CCSCC 240690a_100020639649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5712 B12R0.648 C=CCCN(C)C(=O)CCSCC 527a_100020639649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5713 B12R0.648 C=CCCN(C)C(=O)COCCC 11a_100020639649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5714 B12R0.648 C=CCCN(C)C(=O)COCCC 1626a_100020639649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5715 B12R0.648 C=CCCN(C)C(=O)COCCC 240690a_100020639649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5716 B12R0.648 C=CCCN(C)C(=O)COCCC 527a_100020639649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5717 B12R0.648 C=CCCN(C)C(=O)CSCCC 11a_100020639649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5718 B12R0.648 C=CCCN(C)C(=O)CSCCC 1626a_100020639649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5719 B12R0.648 C=CCCN(C)C(=O)CSCCC 240690a_100020639649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5720 B12R0.648 C=CCCN(C)C(=O)CSCCC 527a_100020639649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5721 B12R0.648 C=CCCN(C)C(=O)NCCCC 2708a_100000102301_100020639649 [0,2,0,0,0,0|2,0,0]=4 5722 B12R0.648 C=CCCN(C)C(=O)NCCCC 273464a_100000102301_100020639649 [0,2,0,0,0,0|2,0,0]=4 5723 B12R0.648 C=CCCNC(=O)C(C)CCCC 11a_100015191253_100000725509 [0,2,0,0,0,0|1,0,0]=3 5724 B12R0.648 C=CCCNC(=O)C(C)CCCC 1626a_100015191253_100000725509 [0,2,0,0,0,0|1,0,0]=3 5725 B12R0.648 C=CCCNC(=O)C(C)CCCC 240690a_100015191253_100000725509 [0,2,0,0,0,0|1,0,0]=3 5726 B12R0.648 C=CCCNC(=O)C(C)CCCC 527a_100015191253_100000725509 [0,2,0,0,0,0|1,0,0]=3 5727 B12R0.648 C=CCCNC(=O)C(O)CCCC 240690a_100015191253_100000720857 [0,2,0,0,0,0|1,0,0]=3 5728 B12R0.648 C=CCCNC(=O)C(O)CCCC 527a_100015191253_100000720857 [0,2,0,0,0,0|1,0,0]=3 5729 B12R0.648 C=CCCNC(=O)C(O)CCSC 240690a_100015191253_100000685904 [0,2,0,0,0,0|2,0,0]=4 5730 B12R0.648 C=CCCNC(=O)N(C)CCCC 2708a_100015191253_100000207549 [0,2,0,0,0,0|2,0,0]=4 5731 B12R0.648 C=CCCNC(=O)N(C)CCCC 273464a_100015191253_100000207549 [0,2,0,0,0,0|2,0,0]=4 5732 B12R0.648 C=CCNC(=O)C(C)CCCCC 1626a_100020586998_100011215998 [0,2,0,0,0,0|1,0,0]=3 5733 B12R0.648 C=CCNC(=O)C(C)CCCCC 240690a_100020586998_100011215998 [0,2,0,0,0,0|1,0,0]=3 5734 B12R0.648 C=CCNC(=O)C(C)CCCCC 527a_100020586998_100011215998 [0,2,0,0,0,0|1,0,0]=3 5735 B12R0.648 C=CCNC(=O)C(C)NCCCC 2230a_100000102301_100000230288 [0,2,0,0,0,0|1,0,0]=3 5736 B12R0.648 C=CCNC(=O)C(C)NCCCC 7a_106832991798_100000230288 [0,2,0,0,0,0|1,0,0]=3 5737 B12R0.648 C=CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230288 [0,2,0,0,0,0|2,0,0]=4 5738 B12R0.648 C=CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230288 [0,2,0,0,0,0|2,0,0]=4 5739 B12R0.648 C=CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230288 [0,2,0,0,0,0|2,0,0]=4 5740 B12R0.648 C=CCNC(=O)C(C)OCCCC 7a_100000210227_100000230288 [0,2,0,0,0,0|1,0,0]=3 5741 B12R0.648 C=CCNC(=O)C(C)OCCSC 7a_100000230434_100000230288 [0,2,0,0,0,0|2,0,0]=4 5742 B12R0.648 C=CCNC(=O)C(C)SCCCC 1626a_100020586998_100000191163 [0,2,0,0,0,0|1,0,0]=3 5743 B12R0.648 C=CCNC(=O)C(C)SCCCC 240690a_100020586998_100000191163 [0,2,0,0,0,0|1,0,0]=3 5744 B12R0.648 C=CCNC(=O)C(C)SCCCC 527a_100020586998_100000191163 [0,2,0,0,0,0|1,0,0]=3 5745 B12R0.648 C=CCNC(=O)C(C)SCCCC 62a_100000210211_100000230288 [0,2,0,0,0,0|1,0,0]=3 5746 B12R0.648 C=CCNC(=O)C(C)SCCCC 62a_100000230288_100000210210 [0,2,0,0,0,0|1,0,0]=3 5747 B12R0.648 C=CCNC(=O)C(C)SCCCF 62a_100000230288_100011934791 [0,2,0,0,0,0|2,0,0]=4 5748 B12R0.648 C=CCNC(=O)C(C)SCCCF 62a_100011934791_100000230288 [0,2,0,0,0,0|2,0,0]=4 5749 B12R0.648 C=CCNC(=O)C(C)SCCCO 62a_100000230288_100011215043 [0,2,0,0,0,0|2,0,0]=4 5750 B12R0.648 C=CCNC(=O)C(C)SCCCO 62a_100011215043_100000230288 [0,2,0,0,0,0|2,0,0]=4 5751 B12R0.648 C=CCNC(=O)C(C)SCCOC 62a_100000230288_100000233755 [0,2,0,0,0,0|2,0,0]=4 5752 B12R0.648 C=CCNC(=O)C(C)SCCOC 62a_100000233755_100000230288 [0,2,0,0,0,0|2,0,0]=4 5753 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000212216_100000230288 [0,2,0,0,0,0|2,0,0]=4 5754 B12R0.648 C=CCNC(=O)C(C)SCCSC 62a_100000230288_100000751147 [0,2,0,0,0,0|2,0,0]=4 5755 B12R0.648 C=CCNC(=O)C(C)SCOCC 62a_100000230288_100000739092 [0,2,0,0,0,0|2,0,0]=4 5756 B12R0.648 C=CCNC(=O)C(C)SCOCC 62a_100000739092_100000230288 [0,2,0,0,0,0|2,0,0]=4 5757 B12R0.648 C=CCNC(=O)N(C)CCCCC 273464a_100020586998_100000223495 [0,2,0,0,0,0|1,0,0]=3 5758 B12R0.648 C=CCNC(=O)N(C)CCCCO 273464a_100020586998_100000717598 [0,2,0,0,0,0|2,0,0]=4 5759 B12R0.648 C=CCNC(=O)N(C)CCCOC 273464a_100020586998_100000224831 [0,2,0,0,0,0|2,0,0]=4 5760 B12R0.648 C=CCNC(C)C(=O)NCCCC 2230a_100020586998_100000735917 [0,2,0,0,0,0|2,0,0]=4 5761 B12R0.648 C=CCNC(C)C(=O)OCCCC 2230a_100020586998_100000759602 [0,2,0,0,0,0|2,0,0]=4 5762 B12R0.648 C=CCNCC(=O)N(C)CCCC 2230a_100020586998_100000230175 [0,2,0,0,0,0|2,0,0]=4 5763 B12R0.648 C=CCNNC(=O)C(C)CCCC 22a_100020588587_100000725509 [0,2,0,0,0,0|1,0,0]=3 5764 B12R0.648 C=CCNNC(=O)C(O)CCCC 22a_100020588587_100000720857 [0,2,0,0,0,0|1,0,0]=3 5765 B12R0.648 C=CCNNC(=O)C(O)CCSC 22a_100020588587_100000685904 [0,2,0,0,0,0|2,0,0]=4 5766 B12R0.648 C=CCOC(C)C(=O)NCCCC 34a_200000210373_100000735917 [0,2,0,0,0,0|1,0,0]=3 5767 B12R0.648 C=CCOC(C)C(=O)OCCCC 34a_100000038973_100015514636 [0,2,0,0,0,0|1,0,0]=3 5768 B12R0.648 C=CCOC(C)C(=O)OCCCC 34a_200000210373_100000759602 [0,2,0,0,0,0|1,0,0]=3 5769 B12R0.648 C=CCOC(C)C(=O)OCCCC 7a_100000038973_100015514636 [0,2,0,0,0,0|1,0,0]=3 5770 B12R0.648 C=CCOCC(=O)N(C)CCCC 34a_200000210373_100000230175 [0,2,0,0,0,0|1,0,0]=3 5771 B12R0.648 C=CCSC(C)C(=O)CCCCC 1458a_100000230602_100000210326 [0,2,0,0,0,0|0,1,0]=3 5772 B12R0.648 C=CCSC(C)C(=O)CCCCF 1458a_100000230602_100000729493 [0,2,0,0,0,0|1,1,0]=4 5773 B12R0.648 C=CCSC(C)C(=O)CCCCO 1458a_100000230602_100000210776 [0,2,0,0,0,0|1,1,0]=4 5774 B12R0.648 C=CCSC(C)C(=O)CCCOC 1458a_100000230602_100000740836 [0,2,0,0,0,0|1,1,0]=4 5775 B12R0.648 C=CCSC(C)C(=O)CCOCC 1458a_100000230602_100011215890 [0,2,0,0,0,0|1,1,0]=4 5776 B12R0.648 C=CCSC(C)C(=O)CCSCC 1458a_100000230602_100000757381 [0,2,0,0,0,0|1,1,0]=4 5777 B12R0.648 C=CCSC(C)C(=O)NCCCC 11a_100000102301_100000230602 [0,2,0,0,0,0|1,1,0]=4 5778 B12R0.648 C=CCSC(C)C(=O)NCCCC 1626a_100000102301_100000230602 [0,2,0,0,0,0|1,1,0]=4 5779 B12R0.648 C=CCSC(C)C(=O)NCCCC 240690a_100000102301_100000230602 [0,2,0,0,0,0|1,1,0]=4 5780 B12R0.648 C=CCSC(C)C(=O)NCCCC 527a_100000102301_100000230602 [0,2,0,0,0,0|1,1,0]=4 5781 B12R0.648 C=CCSC(C)C(=O)NCCCC 62a_100000210623_100000735917 [0,2,0,0,0,0|1,1,0]=4 5782 B12R0.648 C=CCSC(C)C(=O)NCCCC 62a_100000735917_100000210623 [0,2,0,0,0,0|1,1,0]=4 5783 B12R0.648 C=CCSC(C)C(=O)OCCCC 62a_100000210623_100000759602 [0,2,0,0,0,0|1,1,0]=4 5784 B12R0.648 C=CCSC(C)C(=O)OCCCC 62a_100000759602_100000210623 [0,2,0,0,0,0|1,1,0]=4 5785 B12R0.648 C=CCSCC(=O)C(C)CCCC 1458a_100000230395_200011215066 [0,2,0,0,0,0|0,1,0]=3 5786 B12R0.648 C=CCSCC(=O)N(C)CCCC 11a_100000207549_100000230395 [0,2,0,0,0,0|1,1,0]=4 5787 B12R0.648 C=CCSCC(=O)N(C)CCCC 1626a_100000207549_100000230395 [0,2,0,0,0,0|1,1,0]=4 5788 B12R0.648 C=CCSCC(=O)N(C)CCCC 240690a_100000207549_100000230395 [0,2,0,0,0,0|1,1,0]=4 5789 B12R0.648 C=CCSCC(=O)N(C)CCCC 527a_100000207549_100000230395 [0,2,0,0,0,0|1,1,0]=4 5790 B12R0.648 C=CCSCC(=O)N(C)CCCC 62a_100000210623_100000230175 [0,2,0,0,0,0|1,1,0]=4 5791 B12R0.648 C=CCSCC(=O)N(C)CCCC 62a_100000230175_100000210623 [0,2,0,0,0,0|1,1,0]=4 5792 B12R0.648 C=COCCC(=O)C(C)CCCC 1458a_100000725509_100000039644 [0,2,0,0,0,0|1,0,0]=3 5793 B12R0.648 C=COCCC(=O)C(O)CCCC 1458a_100000720857_100000039644 [0,2,0,0,0,0|1,0,0]=3 5794 B12R0.648 C=COCCC(=O)C(O)CCSC 1458a_100000685904_100000039644 [0,2,0,0,0,0|2,0,0]=4 5795 B12R0.648 CCCCC(C)C(=O)COCCC 1458a_100000745993_200011215066 [0,2,0,0,0,0|0,0,2]=4 5796 B12R0.648 CCCCC(C)C(=O)COCCO 1458a_100000708028_200011215066 [0,2,0,0,0,0|1,0,1]=4 5797 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [0,2,0,0,0,0|0,0,2]=4 5798 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [0,2,0,0,0,0|0,0,2]=4 5799 B12R0.648 CCCCOC(=O)C(C)OCC=O 34a_100000038973_200009817547 [0,2,0,0,0,0|2,0,0]=4 5800 B12R0.648 CCCCOC(=O)C(C)OCC=O 7a_100000038973_200015260668 [0,2,0,0,0,0|2,0,0]=4 5801 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,2,0,0,0,0|0,0,2]=4 5802 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,2,0,0,0,0|0,0,2]=4 5803 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,2,0,0,0,0|0,0,2]=4 5804 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,2,0,0,0,0|0,0,2]=4 5805 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [0,2,0,0,0,0|0,0,2]=4 5806 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [0,2,0,0,0,0|0,0,2]=4 5807 B12R0.44 C=C(C)CCC(=O)CCCC(=O)C 1458a_200000688413_100011215641 [0,2,0,0,0,0|1,0,1]=4 5808 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,2,0,0,0,0|1,0,0]=3 5809 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,2,0,0,0,0|1,0,0]=3 5810 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,2,0,0,0,0|1,0,0]=3 5811 B12R0.44 C=C(C)CCC(=O)CCCN(C)C 1458a_200000688413_100000695564 [0,2,0,0,0,0|2,0,0]=4 5812 B12R0.44 C=C(C)CCC(=O)CCOC(C)C 1458a_200000688413_100000211751 [0,2,0,0,0,0|2,0,0]=4 5813 B12R0.44 C=C(C)CCC(=O)CCSC(C)C 1458a_200000688413_100000730970 [0,2,0,0,0,0|2,0,0]=4 5814 B12R0.44 C=C(C)CCC(=O)COCC(C)C 1458a_100011223364_100000730704 [0,2,0,0,0,0|2,0,0]=4 5815 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 11a_100000210545_200000688413 [0,2,0,0,0,0|2,0,0]=4 5816 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 1626a_100000210545_200000688413 [0,2,0,0,0,0|2,0,0]=4 5817 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 240690a_100000210545_200000688413 [0,2,0,0,0,0|2,0,0]=4 5818 B12R0.44 C=C(C)CCC(=O)NCCC(C)C 527a_100000210545_200000688413 [0,2,0,0,0,0|2,0,0]=4 5819 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 240690a_200000755665_200000688413 [0,2,0,0,0,0|2,0,0]=4 5820 B12R0.44 C=C(C)CCC(=O)NCCC(C)O 527a_200000755665_200000688413 [0,2,0,0,0,0|2,0,0]=4 5821 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,2,0,0,0,0|1,0,0]=3 5822 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,2,0,0,0,0|1,0,0]=3 5823 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,2,0,0,0,0|1,0,0]=3 5824 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,2,0,0,0,0|1,0,0]=3 5825 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 1626a_100000765925_100000761597 [0,2,0,0,0,0|1,0,0]=3 5826 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 527a_100000765925_100000761597 [0,2,0,0,0,0|1,0,0]=3 5827 B12R0.44 C=C(C)CNC(=O)CCCN(C)C 11a_100000765925_100000740757 [0,2,0,0,0,0|2,0,0]=4 5828 B12R0.44 C=C(C)CNC(=O)CCCN(C)C 240690a_100000765925_100000740757 [0,2,0,0,0,0|2,0,0]=4 5829 B12R0.44 C=C(C)CNC(=O)COCC(C)C 11a_100000765925_100011223364 [0,2,0,0,0,0|2,0,0]=4 5830 B12R0.44 C=C(C)CNC(=O)COCC(C)C 1626a_100000765925_100011223364 [0,2,0,0,0,0|2,0,0]=4 5831 B12R0.44 C=C(C)CNC(=O)COCC(C)C 240690a_100000765925_100011223364 [0,2,0,0,0,0|2,0,0]=4 5832 B12R0.44 C=C(C)CNC(=O)COCC(C)C 527a_100000765925_100011223364 [0,2,0,0,0,0|2,0,0]=4 5833 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000210545_100000765925 [0,2,0,0,0,0|2,0,0]=4 5834 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 2708a_100000765925_100000210545 [0,2,0,0,0,0|2,0,0]=4 5835 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000210545_100000765925 [0,2,0,0,0,0|2,0,0]=4 5836 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 273464a_100000765925_100000210545 [0,2,0,0,0,0|2,0,0]=4 5837 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000210545_100000765925 [0,2,0,0,0,0|2,0,0]=4 5838 B12R0.44 C=C(C)CNC(=O)NCCC(C)C 512a_100000765925_100000210545 [0,2,0,0,0,0|2,0,0]=4 5839 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 2708a_100000765925_200000755665 [0,2,0,0,0,0|2,0,0]=4 5840 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000765925 [0,2,0,0,0,0|2,0,0]=4 5841 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_100000765925_200000755665 [0,2,0,0,0,0|2,0,0]=4 5842 B12R0.44 C=C(C)CNC(=O)NCCC(C)O 512a_200000755665_100000765925 [0,2,0,0,0,0|2,0,0]=4 5843 B12R0.44 C=C(C)COC(C)CCCC(C)C 34a_200011218570_100000748629 [0,2,0,0,0,0|1,0,1]=4 5844 B12R0.44 C=C(C)COC(C)CCCC(C)C 7a_200011218570_100000748629 [0,2,0,0,0,0|1,0,1]=4 5845 B12R0.44 C=C(F)COC(C)CCCC(C)C 34a_200011218570_100009893438 [0,2,0,0,0,0|1,0,1]=4 5846 B12R0.44 C=C(F)COC(C)CCCC(C)C 7a_200011218570_100000042424 [0,2,0,0,0,0|1,0,1]=4 5847 B12R0.44 CC(C)CCCC(=O)CCC(=O)N 1458a_100011215257_100011214892 [0,2,0,0,0,0|2,0,0]=4 5848 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 11a_100000711301_100011216857 [0,2,0,0,0,0|2,0,0]=4 5849 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 240690a_100000711301_100011216857 [0,2,0,0,0,0|2,0,0]=4 5850 B12R0.44 CC(C)CCCC(=O)NCC(=O)N 527a_100000711301_100011216857 [0,2,0,0,0,0|2,0,0]=4 5851 B12R0.44 CC(O)CCCC(=O)CCC(=O)N 1458a_100011215257_200000718107 [0,2,0,0,0,0|2,0,0]=4 5852 B12R0.44 CC(O)CCCC(=O)NCC(=O)N 527a_100000711301_100000761597 [0,2,0,0,0,0|2,0,0]=4 5853 B12R0.123 C=C(C)C(=O)CC(=O)CCCCC 1458a_100000185857_200012276598 [0,2,0,0,0,0|1,0,1]=4 5854 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000212188 [0,2,0,0,0,0|2,0,0]=4 5855 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000212188 [0,2,0,0,0,0|2,0,0]=4 5856 B12R0.123 CCCCCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000212188 [0,2,0,0,0,0|2,0,0]=4 5857 B12R0.124 C#CC(CCCCC)OCC(=C)C 34a_100011216489_100000748629 [0,2,0,0,0,0|1,0,1]=4 5858 B12R0.124 C#CC(CCCCC)OCC(=C)C 7a_100011216489_100000748629 [0,2,0,0,0,0|1,0,1]=4 5859 B12R0.124 C#CC(CCCCC)OCC(=C)F 34a_100011216489_100009893438 [0,2,0,0,0,0|1,0,1]=4 5860 B12R0.124 C#CC(CCCCC)OCC(=C)F 7a_100011216489_100000042424 [0,2,0,0,0,0|1,0,1]=4 5861 B12R0.124 C=C(C)COC(CC)CCCCC 34a_100011215405_100000748629 [0,2,0,0,0,0|1,0,1]=4 5862 B12R0.124 C=C(C)COC(CC)CCCCC 7a_100011215405_100000748629 [0,2,0,0,0,0|1,0,1]=4 5863 B12R0.124 C=C(F)COC(CC)CCCCC 34a_100011215405_100009893438 [0,2,0,0,0,0|1,0,1]=4 5864 B12R0.124 C=C(F)COC(CC)CCCCC 7a_100011215405_100000042424 [0,2,0,0,0,0|1,0,1]=4 5865 B12R0.124 C=CC(CCCCC)OCC(=C)C 34a_100011216863_100000748629 [0,2,0,0,0,0|1,0,1]=4 5866 B12R0.124 C=CC(CCCCC)OCC(=C)C 7a_100011216863_100000748629 [0,2,0,0,0,0|1,0,1]=4 5867 B12R0.124 C=CC(CCCCC)OCC(=C)F 34a_100011216863_100009893438 [0,2,0,0,0,0|1,0,1]=4 5868 B12R0.124 C=CC(CCCCC)OCC(=C)F 7a_100011216863_100000042424 [0,2,0,0,0,0|1,0,1]=4 5869 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 11a_100000225649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5870 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 1626a_100000225649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5871 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 527a_100000225649_100000212188 [0,2,0,0,0,0|1,0,0]=3 5872 B12R0.141 C=C(C)CN(C)C(=O)CCCCO 1626a_100000225649_100000695505 [0,2,0,0,0,0|2,0,0]=4 5873 B12R0.141 C=C(C)CN(C)C(=O)CCCOC 11a_100000225649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5874 B12R0.141 C=C(C)CN(C)C(=O)CCCOC 1626a_100000225649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5875 B12R0.141 C=C(C)CN(C)C(=O)CCCOC 527a_100000225649_100000741012 [0,2,0,0,0,0|2,0,0]=4 5876 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 11a_100000225649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5877 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 1626a_100000225649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5878 B12R0.141 C=C(C)CN(C)C(=O)CCCSC 527a_100000225649_100000173376 [0,2,0,0,0,0|2,0,0]=4 5879 B12R0.141 C=C(C)CN(C)C(=O)CCOCC 11a_100000225649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5880 B12R0.141 C=C(C)CN(C)C(=O)CCOCC 1626a_100000225649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5881 B12R0.141 C=C(C)CN(C)C(=O)CCOCC 527a_100000225649_100000749530 [0,2,0,0,0,0|2,0,0]=4 5882 B12R0.141 C=C(C)CN(C)C(=O)CCSCC 11a_100000225649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5883 B12R0.141 C=C(C)CN(C)C(=O)CCSCC 1626a_100000225649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5884 B12R0.141 C=C(C)CN(C)C(=O)CCSCC 527a_100000225649_100000230768 [0,2,0,0,0,0|2,0,0]=4 5885 B12R0.141 C=C(C)CN(C)C(=O)COCCC 11a_100000225649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5886 B12R0.141 C=C(C)CN(C)C(=O)COCCC 1626a_100000225649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5887 B12R0.141 C=C(C)CN(C)C(=O)COCCC 527a_100000225649_100000745993 [0,2,0,0,0,0|2,0,0]=4 5888 B12R0.141 C=C(C)CN(C)C(=O)CSCCC 11a_100000225649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5889 B12R0.141 C=C(C)CN(C)C(=O)CSCCC 1626a_100000225649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5890 B12R0.141 C=C(C)CN(C)C(=O)CSCCC 527a_100000225649_100000217233 [0,2,0,0,0,0|2,0,0]=4 5891 B12R0.141 C=C(C)CN(C)C(=O)NCCCC 2708a_100000102301_100000225649 [0,2,0,0,0,0|2,0,0]=4 5892 B12R0.141 C=C(C)CN(C)C(=O)NCCCC 273464a_100000102301_100000225649 [0,2,0,0,0,0|2,0,0]=4 5893 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 11a_100000739694_100000212188 [0,2,0,0,0,0|2,0,0]=4 5894 B12R0.141 CCCCCC(=O)N(C)CC(=O)N 527a_100000739694_100000212188 [0,2,0,0,0,0|2,0,0]=4 5895 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 34a_100009815206_200012276598 [0,2,0,0,0,0|0,0,2]=4 5896 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 7a_100009815206_200012276598 [0,2,0,0,0,0|0,0,2]=4 5897 B12R0.142 C/C=C/COC(C)CCC(C)CC 7a_200011216552_100102629194 [0,2,0,0,0,0|1,0,1]=4 5898 B12R0.142 C=C(C#N)COC(C)CCCCC 34a_100011215632_100000694840 [0,2,0,0,0,0|1,0,1]=4 5899 B12R0.142 C=CC(=NNC(=O)CCCCC)C 4a_100000189784_200015361842 [0,2,0,0,0,0|1,0,1]=4 5900 B12R0.142 C=CC(=O)NCC(=O)CCCCC 1458a_200011222540_100000210326 [0,2,0,0,0,0|1,0,1]=4 5901 B12R0.142 C=CC(=O)NNC(=O)CCCCC 22a_100000189784_100000185746 [0,2,0,0,0,0|1,0,1]=4 5902 B12R0.142 C=CC(C)COC(C)CCCCC 34a_100011215527_200011218191 [0,2,0,0,0,0|1,0,1]=4 5903 B12R0.142 C=CC(C)COC(C)CCCCC 7a_100011215527_200011218191 [0,2,0,0,0,0|1,0,1]=4 5904 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [0,2,0,0,0,0|0,0,0]=2 5905 B12R0.142 C=CC(C)OCC(=O)NCCCC 34a_100000695699_100000182744 [0,2,0,0,0,0|1,0,0]=3 5906 B12R0.142 C=CC(C)OCC(=O)NCCOC 34a_100000695699_100000183275 [0,2,0,0,0,0|2,0,0]=4 5907 B12R0.142 C=CC(C)OCC(=O)OCCCC 34a_100000695699_100000211628 [0,2,0,0,0,0|1,0,0]=3 5908 B12R0.142 C=CC(C)OCC(=O)OCCOC 34a_100000695699_200000040189 [0,2,0,0,0,0|2,0,0]=4 5909 B12R0.142 C=CC(C)SCC(=O)CCCCC 62a_100011215867_200012276598 [0,2,0,0,0,0|0,1,0]=3 5910 B12R0.142 C=CC(C)SCC(=O)NCCCC 62a_100011215867_100000182744 [0,2,0,0,0,0|1,1,0]=4 5911 B12R0.142 C=CC(C)SCC(=O)OCCCC 62a_100011215867_100000211628 [0,2,0,0,0,0|1,1,0]=4 5912 B12R0.142 C=CC(O)COC(C)CCCCC 34a_100011215632_100000730141 [0,2,0,0,0,0|1,0,1]=4 5913 B12R0.142 C=CC(O)COC(C)CCCCC 7a_100011215632_100000730141 [0,2,0,0,0,0|1,0,1]=4 5914 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [0,2,0,0,0,0|1,0,0]=3 5915 B12R0.142 C=CCCCC(=O)CCN(C)CC 1458a_100000755305_100000757094 [0,2,0,0,0,0|2,0,0]=4 5916 B12R0.142 C=CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000757094 [0,2,0,0,0,0|2,0,0]=4 5917 B12R0.142 C=CCCCC(=O)NCC(C)CC 11a_100020588543_100000766728 [0,2,0,0,0,0|2,0,0]=4 5918 B12R0.142 C=CCCCC(=O)NCC(C)CC 1626a_100020588543_100000766728 [0,2,0,0,0,0|2,0,0]=4 5919 B12R0.142 C=CCCCC(=O)NCC(C)CC 240690a_100020588543_100000766728 [0,2,0,0,0,0|2,0,0]=4 5920 B12R0.142 C=CCCCC(=O)NCC(C)CC 527a_100020588543_100000766728 [0,2,0,0,0,0|2,0,0]=4 5921 B12R0.142 C=CCCCC(=O)NCC(O)CC 11a_100011218483_100000766728 [0,2,0,0,0,0|2,0,0]=4 5922 B12R0.142 C=CCCCC(=O)NCC(O)CC 240690a_100011218483_100000766728 [0,2,0,0,0,0|2,0,0]=4 5923 B12R0.142 C=CCCCC(=O)NCC(O)CC 527a_100011218483_100000766728 [0,2,0,0,0,0|2,0,0]=4 5924 B12R0.142 C=CCCNC(=O)CCC(C)CC 11a_100015191253_100000701222 [0,2,0,0,0,0|1,0,0]=3 5925 B12R0.142 C=CCCNC(=O)CCC(C)CC 1626a_100015191253_100000701222 [0,2,0,0,0,0|1,0,0]=3 5926 B12R0.142 C=CCCNC(=O)CCC(C)CC 240690a_100015191253_100000701222 [0,2,0,0,0,0|1,0,0]=3 5927 B12R0.142 C=CCCNC(=O)CCC(C)CC 527a_100015191253_100000701222 [0,2,0,0,0,0|1,0,0]=3 5928 B12R0.142 C=CCCNC(=O)CCC(O)CC 1626a_100015191253_203496584001 [0,2,0,0,0,0|1,0,0]=3 5929 B12R0.142 C=CCCNC(=O)CCC(O)CC 240690a_100015191253_203496584001 [0,2,0,0,0,0|1,0,0]=3 5930 B12R0.142 C=CCCNC(=O)CCN(C)CC 240690a_100015191253_100000755305 [0,2,0,0,0,0|2,0,0]=4 5931 B12R0.142 C=CCCNC(=O)CCS(=O)CC 11a_100015191253_100011387550 [0,2,0,0,0,0|2,0,0]=4 5932 B12R0.142 C=CCCNC(=O)CCS(=O)CC 1626a_100015191253_100011387550 [0,2,0,0,0,0|2,0,0]=4 5933 B12R0.142 C=CCCNC(=O)CCS(=O)CC 240690a_100015191253_100011387550 [0,2,0,0,0,0|2,0,0]=4 5934 B12R0.142 C=CCCNC(=O)CCS(=O)CC 527a_100015191253_100011387550 [0,2,0,0,0,0|2,0,0]=4 5935 B12R0.142 C=CCCNC(=O)NCC(C)CC 2708a_100015191253_100020588543 [0,2,0,0,0,0|2,0,0]=4 5936 B12R0.142 C=CCCNC(=O)NCC(C)CC 2708a_100020588543_100015191253 [0,2,0,0,0,0|2,0,0]=4 5937 B12R0.142 C=CCCNC(=O)NCC(C)CC 273464a_100015191253_100020588543 [0,2,0,0,0,0|2,0,0]=4 5938 B12R0.142 C=CCCNC(=O)NCC(C)CC 273464a_100020588543_100015191253 [0,2,0,0,0,0|2,0,0]=4 5939 B12R0.142 C=CCCNC(=O)NCC(C)CC 512a_100015191253_100020588543 [0,2,0,0,0,0|2,0,0]=4 5940 B12R0.142 C=CCCNC(=O)NCC(C)CC 512a_100020588543_100015191253 [0,2,0,0,0,0|2,0,0]=4 5941 B12R0.142 C=CCCNC(=O)NCC(O)CC 2708a_100015191253_100011218483 [0,2,0,0,0,0|2,0,0]=4 5942 B12R0.142 C=CCCNC(=O)NCC(O)CC 273464a_100011218483_100015191253 [0,2,0,0,0,0|2,0,0]=4 5943 B12R0.142 C=CCCNC(=O)NCC(O)CC 273464a_100015191253_100011218483 [0,2,0,0,0,0|2,0,0]=4 5944 B12R0.142 C=CCCNC(=O)NCC(O)CC 512a_100011218483_100015191253 [0,2,0,0,0,0|2,0,0]=4 5945 B12R0.142 C=CCCOC(C)CCC(C)CC 7a_200011216552_100000754431 [0,2,0,0,0,0|1,0,1]=4 5946 B12R0.142 C=CCNNC(=O)CCC(C)CC 22a_100020588587_100000701222 [0,2,0,0,0,0|1,0,0]=3 5947 B12R0.142 C=CCNNC(=O)CCC(O)CC 22a_100020588587_203496584001 [0,2,0,0,0,0|1,0,0]=3 5948 B12R0.142 C=CCNNC(=O)CCN(C)CC 22a_100020588587_100000755305 [0,2,0,0,0,0|2,0,0]=4 5949 B12R0.142 C=CCNNC(=O)NCC(C)CC 273464a_100020588543_100020588587 [0,2,0,0,0,0|2,0,0]=4 5950 B12R0.142 C=CCNNC(=O)NCC(C)CC 512a_100020588543_100020588587 [0,2,0,0,0,0|2,0,0]=4 5951 B12R0.142 C=CCNNC(=O)NCC(C)CC 512a_100020588587_100020588543 [0,2,0,0,0,0|2,0,0]=4 5952 B12R0.142 C=CCNNC(=O)NCC(O)CC 273464a_100011218483_100020588587 [0,2,0,0,0,0|2,0,0]=4 5953 B12R0.142 C=CCNNC(=O)NCC(O)CC 512a_100011218483_100020588587 [0,2,0,0,0,0|2,0,0]=4 5954 B12R0.142 C=CCOCC(=O)CCC(=O)OC 34a_200000210373_100000691467 [0,2,0,0,0,0|1,0,1]=4 5955 B12R0.142 C=CCOCC(=O)NCC(O)CO 34a_200000210373_200012027429 [0,2,0,0,0,0|2,0,0]=4 5956 B12R0.142 C=CCSCC(=O)NCC(C)CC 11a_100020588543_100000230395 [0,2,0,0,0,0|1,1,0]=4 5957 B12R0.142 C=CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230395 [0,2,0,0,0,0|1,1,0]=4 5958 B12R0.142 C=CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230395 [0,2,0,0,0,0|1,1,0]=4 5959 B12R0.142 C=CCSCC(=O)NCC(C)CC 527a_100020588543_100000230395 [0,2,0,0,0,0|1,1,0]=4 5960 B12R0.142 C=CCSCC(=O)NCC(O)CC 11a_100011218483_100000230395 [0,2,0,0,0,0|1,1,0]=4 5961 B12R0.142 C=CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230395 [0,2,0,0,0,0|1,1,0]=4 5962 B12R0.142 C=CCSCC(=O)NCC(O)CC 527a_100011218483_100000230395 [0,2,0,0,0,0|1,1,0]=4 5963 B12R0.142 C=COCCC(=O)CCC(C)CC 1458a_100000701222_100000039644 [0,2,0,0,0,0|1,0,0]=3 5964 B12R0.142 C=COCCC(=O)CCN(C)CC 1458a_100000755305_100000039644 [0,2,0,0,0,0|2,0,0]=4 5965 B12R0.142 C=COCCC(=O)CCS(=O)CC 1458a_100011387550_100000039644 [0,2,0,0,0,0|2,0,0]=4 5966 B12R0.142 C=C[C@H](N)COC(C)CCCCC 34a_100016989147_200011218191 [0,2,0,0,0,0|1,0,1]=4 5967 B12R0.142 CC=C(C)C=CC(=O)CCCCC 1458a_100000692105_100000210326 [0,2,0,0,0,0|1,0,1]=4 5968 B12R0.142 CC=CCOC(C)CCC(C)CC 7a_200011216552_100000070051 [0,2,0,0,0,0|1,0,1]=4 5969 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,1]=4 5970 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|1,0,1]=4 5971 B12R0.142 CCCCCC(=O)COC(C)C#N 34a_100011218135_200012276598 [0,2,0,0,0,0|1,0,1]=4 5972 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,2,0,0,0,0|0,0,2]=4 5973 B12R0.142 CCCCCC(=O)COC(C)CF 34a_100016041109_200012276598 [0,2,0,0,0,0|1,0,1]=4 5974 B12R0.142 CCCCCC(=O)COC(C)CF 7a_100016041109_200012276598 [0,2,0,0,0,0|1,0,1]=4 5975 B12R0.142 CCCCCC(=O)COC(C)CN 34a_100000210904_200012276598 [0,2,0,0,0,0|1,0,1]=4 5976 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 5977 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 5978 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 5979 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|1,0,1]=4 5980 B12R0.189 C=C(C)CCC(=O)CCC(C)CC 1458a_100000701222_100000730704 [0,2,0,0,0,0|1,0,0]=3 5981 B12R0.189 C=C(C)CCC(=O)CCN(C)CC 1458a_100000755305_100000730704 [0,2,0,0,0,0|2,0,0]=4 5982 B12R0.189 C=C(C)CCC(=O)CCS(=O)CC 1458a_100011387550_100000730704 [0,2,0,0,0,0|2,0,0]=4 5983 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 11a_100020588543_200000688413 [0,2,0,0,0,0|2,0,0]=4 5984 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 1626a_100020588543_200000688413 [0,2,0,0,0,0|2,0,0]=4 5985 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 240690a_100020588543_200000688413 [0,2,0,0,0,0|2,0,0]=4 5986 B12R0.189 C=C(C)CCC(=O)NCC(C)CC 527a_100020588543_200000688413 [0,2,0,0,0,0|2,0,0]=4 5987 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 11a_100011218483_200000688413 [0,2,0,0,0,0|2,0,0]=4 5988 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 240690a_100011218483_200000688413 [0,2,0,0,0,0|2,0,0]=4 5989 B12R0.189 C=C(C)CCC(=O)NCC(O)CC 527a_100011218483_200000688413 [0,2,0,0,0,0|2,0,0]=4 5990 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 11a_100000765925_100000701222 [0,2,0,0,0,0|1,0,0]=3 5991 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 1626a_100000765925_100000701222 [0,2,0,0,0,0|1,0,0]=3 5992 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 240690a_100000765925_100000701222 [0,2,0,0,0,0|1,0,0]=3 5993 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 527a_100000765925_100000701222 [0,2,0,0,0,0|1,0,0]=3 5994 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 1626a_100000765925_203496584001 [0,2,0,0,0,0|1,0,0]=3 5995 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 240690a_100000765925_203496584001 [0,2,0,0,0,0|1,0,0]=3 5996 B12R0.189 C=C(C)CNC(=O)CCN(C)CC 240690a_100000765925_100000755305 [0,2,0,0,0,0|2,0,0]=4 5997 B12R0.189 C=C(C)CNC(=O)CCS(=O)CC 11a_100000765925_100011387550 [0,2,0,0,0,0|2,0,0]=4 5998 B12R0.189 C=C(C)CNC(=O)CCS(=O)CC 1626a_100000765925_100011387550 [0,2,0,0,0,0|2,0,0]=4 5999 B12R0.189 C=C(C)CNC(=O)CCS(=O)CC 240690a_100000765925_100011387550 [0,2,0,0,0,0|2,0,0]=4 6000 B12R0.189 C=C(C)CNC(=O)CCS(=O)CC 527a_100000765925_100011387550 [0,2,0,0,0,0|2,0,0]=4 6001 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100000765925_100020588543 [0,2,0,0,0,0|2,0,0]=4 6002 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 2708a_100020588543_100000765925 [0,2,0,0,0,0|2,0,0]=4 6003 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100000765925_100020588543 [0,2,0,0,0,0|2,0,0]=4 6004 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 273464a_100020588543_100000765925 [0,2,0,0,0,0|2,0,0]=4 6005 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100000765925_100020588543 [0,2,0,0,0,0|2,0,0]=4 6006 B12R0.189 C=C(C)CNC(=O)NCC(C)CC 512a_100020588543_100000765925 [0,2,0,0,0,0|2,0,0]=4 6007 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 2708a_100000765925_100011218483 [0,2,0,0,0,0|2,0,0]=4 6008 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 273464a_100000765925_100011218483 [0,2,0,0,0,0|2,0,0]=4 6009 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 273464a_100011218483_100000765925 [0,2,0,0,0,0|2,0,0]=4 6010 B12R0.189 C=C(C)CNC(=O)NCC(O)CC 512a_100011218483_100000765925 [0,2,0,0,0,0|2,0,0]=4 6011 B12R0.189 C=C(C)COC(C)CCC(C)CC 7a_200011216552_100000748629 [0,2,0,0,0,0|1,0,1]=4 6012 B12R0.189 C=C(F)COC(C)CCC(C)CC 7a_200011216552_100000042424 [0,2,0,0,0,0|1,0,1]=4 6013 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 11a_100000711301_100000701222 [0,2,0,0,0,0|2,0,0]=4 6014 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 240690a_100000711301_100000701222 [0,2,0,0,0,0|2,0,0]=4 6015 B12R0.189 CCC(C)CCC(=O)NCC(=O)N 527a_100000711301_100000701222 [0,2,0,0,0,0|2,0,0]=4 6016 B12R0.189 CCC(O)CCC(=O)NCC(=O)N 240690a_100000711301_203496584001 [0,2,0,0,0,0|2,0,0]=4 6017 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_100000696528_100000730704 [0,2,0,0,0,0|1,0,1]=4 6018 B12R0.255 C#CCCCCC(=O)CCC(=C)C 1458a_200000688413_100010269958 [0,2,0,0,0,0|1,0,1]=4 6019 B12R0.255 C#CCCCCC(=O)NCC(=C)C 11a_100000765925_100000696528 [0,2,0,0,0,0|1,0,1]=4 6020 B12R0.255 C#CCCCCC(=O)NCC(=C)C 1626a_100000765925_100000696528 [0,2,0,0,0,0|1,0,1]=4 6021 B12R0.255 C#CCCCCC(=O)NCC(=C)C 240690a_100000765925_100000696528 [0,2,0,0,0,0|1,0,1]=4 6022 B12R0.255 C#CCCCCC(=O)NCC(=C)C 527a_100000765925_100000696528 [0,2,0,0,0,0|1,0,1]=4 6023 B12R0.255 C=C(C)CCC(=O)C/C=C/CCC 1458a_200016266809_100000730704 [0,2,0,0,0,0|1,0,1]=4 6024 B12R0.255 C=C(C)CCC(=O)C=CCCCC 1458a_100016266645_100000730704 [0,2,0,0,0,0|1,0,1]=4 6025 B12R0.255 C=C(C)CCC(=O)CC/C=C\CC 1458a_200000688413_100015370543 [0,2,0,0,0,0|1,0,1]=4 6026 B12R0.255 C=C(C)CCC(=O)CCCCC#N 1458a_200000688413_100000211819 [0,2,0,0,0,0|1,0,1]=4 6027 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,0]=3 6028 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,0]=3 6029 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,2,0,0,0,0|1,0,0]=3 6030 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,2,0,0,0,0|1,0,0]=3 6031 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,2,0,0,0,0|1,0,0]=3 6032 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,2,0,0,0,0|1,0,0]=3 6033 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,2,0,0,0,0|1,0,0]=3 6034 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,2,0,0,0,0|1,0,0]=3 6035 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_100011229844_100000730704 [0,2,0,0,0,0|2,0,0]=4 6036 B12R0.255 C=C(C)CCC(=O)CCOCCO 1458a_200000688413_100011215305 [0,2,0,0,0,0|2,0,0]=4 6037 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,2,0,0,0,0|1,0,0]=3 6038 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,2,0,0,0,0|1,0,0]=3 6039 B12R0.255 C=C(C)CCC(=O)COCCOC 1458a_100000211095_100000730704 [0,2,0,0,0,0|2,0,0]=4 6040 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,2,0,0,0,0|1,0,0]=3 6041 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 6042 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 6043 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 6044 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,2,0,0,0,0|1,0,0]=3 6045 B12R0.255 C=C(C)CCC(=O)NCCCCO 240690a_100000750430_200000688413 [0,2,0,0,0,0|2,0,0]=4 6046 B12R0.255 C=C(C)CCC(=O)NCCCCO 527a_100000750430_200000688413 [0,2,0,0,0,0|2,0,0]=4 6047 B12R0.255 C=C(C)CCC(=O)NCCCOC 1626a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 6048 B12R0.255 C=C(C)CCC(=O)NCCCOC 240690a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 6049 B12R0.255 C=C(C)CCC(=O)NCCCOC 527a_100150723488_200000688413 [0,2,0,0,0,0|2,0,0]=4 6050 B12R0.255 C=C(C)CCC(=O)NCCCSC 11a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 6051 B12R0.255 C=C(C)CCC(=O)NCCCSC 1626a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 6052 B12R0.255 C=C(C)CCC(=O)NCCCSC 240690a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 6053 B12R0.255 C=C(C)CCC(=O)NCCCSC 527a_100000749238_200000688413 [0,2,0,0,0,0|2,0,0]=4 6054 B12R0.255 C=C(C)CCC(=O)NCCOCC 11a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 6055 B12R0.255 C=C(C)CCC(=O)NCCOCC 1626a_102516460346_200000688413 [0,2,0,0,0,0|2,0,0]=4 6056 B12R0.255 C=C(C)CCC(=O)NCCOCC 240690a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 6057 B12R0.255 C=C(C)CCC(=O)NCCOCC 527a_100011200944_200000688413 [0,2,0,0,0,0|2,0,0]=4 6058 B12R0.255 C=C(C)CCC(=O)NCCSCC 11a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 6059 B12R0.255 C=C(C)CCC(=O)NCCSCC 1626a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 6060 B12R0.255 C=C(C)CCC(=O)NCCSCC 240690a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 6061 B12R0.255 C=C(C)CCC(=O)NCCSCC 527a_100000106463_200000688413 [0,2,0,0,0,0|2,0,0]=4 6062 B12R0.255 C=C(C)CCC(=O)NNCCCC 22a_100025702795_200000688413 [0,2,0,0,0,0|2,0,0]=4 6063 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 11a_100000765925_200016266809 [0,2,0,0,0,0|1,0,1]=4 6064 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 1626a_100000765925_200016266809 [0,2,0,0,0,0|1,0,1]=4 6065 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 240690a_100000765925_200016266809 [0,2,0,0,0,0|1,0,1]=4 6066 B12R0.255 C=C(C)CNC(=O)C/C=C/CCC 527a_100000765925_200016266809 [0,2,0,0,0,0|1,0,1]=4 6067 B12R0.255 C=C(C)CNC(=O)C=CCCCC 11a_100000765925_100016266645 [0,2,0,0,0,0|1,0,1]=4 6068 B12R0.255 C=C(C)CNC(=O)C=CCCCC 1626a_100000765925_100016266645 [0,2,0,0,0,0|1,0,1]=4 6069 B12R0.255 C=C(C)CNC(=O)C=CCCCC 240690a_100000765925_100016266645 [0,2,0,0,0,0|1,0,1]=4 6070 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 6071 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 6072 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 6073 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,2,0,0,0,0|1,0,0]=3 6074 B12R0.255 C=C(C)CNC(=O)CCCCCO 240690a_100000765925_100102619762 [0,2,0,0,0,0|1,0,0]=3 6075 B12R0.255 C=C(C)CNC(=O)CCOCCO 1626a_100000765925_100011229844 [0,2,0,0,0,0|2,0,0]=4 6076 B12R0.255 C=C(C)CNC(=O)CCOCCO 240690a_100000765925_100011229844 [0,2,0,0,0,0|2,0,0]=4 6077 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,2,0,0,0,0|1,0,0]=3 6078 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,2,0,0,0,0|1,0,0]=3 6079 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,2,0,0,0,0|1,0,0]=3 6080 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,2,0,0,0,0|1,0,0]=3 6081 B12R0.255 C=C(C)CNC(=O)COCCOC 11a_100000765925_100000211095 [0,2,0,0,0,0|2,0,0]=4 6082 B12R0.255 C=C(C)CNC(=O)COCCOC 1626a_100000765925_100000211095 [0,2,0,0,0,0|2,0,0]=4 6083 B12R0.255 C=C(C)CNC(=O)COCCOC 240690a_100000765925_100000211095 [0,2,0,0,0,0|2,0,0]=4 6084 B12R0.255 C=C(C)CNC(=O)COCCOC 527a_100000765925_100000211095 [0,2,0,0,0,0|2,0,0]=4 6085 B12R0.255 C=C(C)CNC(=O)CSCCCC 11a_100000765925_100000191162 [0,2,0,0,0,0|1,0,0]=3 6086 B12R0.255 C=C(C)CNC(=O)CSCCCC 1626a_100000765925_100000191162 [0,2,0,0,0,0|1,0,0]=3 6087 B12R0.255 C=C(C)CNC(=O)CSCCCC 240690a_100000765925_100000191162 [0,2,0,0,0,0|1,0,0]=3 6088 B12R0.255 C=C(C)CNC(=O)CSCCCC 527a_100000765925_100000191162 [0,2,0,0,0,0|1,0,0]=3 6089 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,2,0,0,0,0|1,0,0]=3 6090 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,2,0,0,0,0|1,0,0]=3 6091 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,2,0,0,0,0|1,0,0]=3 6092 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,2,0,0,0,0|1,0,0]=3 6093 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,2,0,0,0,0|1,0,0]=3 6094 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,2,0,0,0,0|1,0,0]=3 6095 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000750430_100000765925 [0,2,0,0,0,0|2,0,0]=4 6096 B12R0.255 C=C(C)CNC(=O)NCCCCO 2708a_100000765925_100000750430 [0,2,0,0,0,0|2,0,0]=4 6097 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000750430_100000765925 [0,2,0,0,0,0|2,0,0]=4 6098 B12R0.255 C=C(C)CNC(=O)NCCCCO 273464a_100000765925_100000750430 [0,2,0,0,0,0|2,0,0]=4 6099 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000750430_100000765925 [0,2,0,0,0,0|2,0,0]=4 6100 B12R0.255 C=C(C)CNC(=O)NCCCCO 512a_100000765925_100000750430 [0,2,0,0,0,0|2,0,0]=4 6101 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100000765925_100150723488 [0,2,0,0,0,0|2,0,0]=4 6102 B12R0.255 C=C(C)CNC(=O)NCCCOC 2708a_100150723488_100000765925 [0,2,0,0,0,0|2,0,0]=4 6103 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100000765925_100150723488 [0,2,0,0,0,0|2,0,0]=4 6104 B12R0.255 C=C(C)CNC(=O)NCCCOC 273464a_100150723488_100000765925 [0,2,0,0,0,0|2,0,0]=4 6105 B12R0.255 C=C(C)CNC(=O)NCCCOC 512a_100000765925_100150723488 [0,2,0,0,0,0|2,0,0]=4 6106 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000749238_100000765925 [0,2,0,0,0,0|2,0,0]=4 6107 B12R0.255 C=C(C)CNC(=O)NCCCSC 2708a_100000765925_100000749238 [0,2,0,0,0,0|2,0,0]=4 6108 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000749238_100000765925 [0,2,0,0,0,0|2,0,0]=4 6109 B12R0.255 C=C(C)CNC(=O)NCCCSC 273464a_100000765925_100000749238 [0,2,0,0,0,0|2,0,0]=4 6110 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000749238_100000765925 [0,2,0,0,0,0|2,0,0]=4 6111 B12R0.255 C=C(C)CNC(=O)NCCCSC 512a_100000765925_100000749238 [0,2,0,0,0,0|2,0,0]=4 6112 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100000765925_100011200944 [0,2,0,0,0,0|2,0,0]=4 6113 B12R0.255 C=C(C)CNC(=O)NCCOCC 2708a_100011200944_100000765925 [0,2,0,0,0,0|2,0,0]=4 6114 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_100000765925_102516460346 [0,2,0,0,0,0|2,0,0]=4 6115 B12R0.255 C=C(C)CNC(=O)NCCOCC 273464a_102516460346_100000765925 [0,2,0,0,0,0|2,0,0]=4 6116 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100000765925_100011200944 [0,2,0,0,0,0|2,0,0]=4 6117 B12R0.255 C=C(C)CNC(=O)NCCOCC 512a_100011200944_100000765925 [0,2,0,0,0,0|2,0,0]=4 6118 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000106463_100000765925 [0,2,0,0,0,0|2,0,0]=4 6119 B12R0.255 C=C(C)CNC(=O)NCCSCC 2708a_100000765925_100000106463 [0,2,0,0,0,0|2,0,0]=4 6120 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000106463_100000765925 [0,2,0,0,0,0|2,0,0]=4 6121 B12R0.255 C=C(C)CNC(=O)NCCSCC 273464a_100000765925_100000106463 [0,2,0,0,0,0|2,0,0]=4 6122 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000106463_100000765925 [0,2,0,0,0,0|2,0,0]=4 6123 B12R0.255 C=C(C)CNC(=O)NCCSCC 512a_100000765925_100000106463 [0,2,0,0,0,0|2,0,0]=4 6124 B12R0.255 C=C(C)CNC(=O)NNCCCC 273464a_100000765925_100025702795 [0,2,0,0,0,0|2,0,0]=4 6125 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100000765925_100025702795 [0,2,0,0,0,0|2,0,0]=4 6126 B12R0.255 C=C(C)CNC(=O)NNCCCC 512a_100025702795_100000765925 [0,2,0,0,0,0|2,0,0]=4 6127 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210245_100011215978 [0,2,0,0,0,0|1,0,1]=4 6128 B12R0.255 C=C(C)COC(C)CCCCCC 34a_100000210265_100000748629 [0,2,0,0,0,0|1,0,1]=4 6129 B12R0.255 C=C(C)COC(C)CCCCCC 7a_100000210265_100000748629 [0,2,0,0,0,0|1,0,1]=4 6130 B12R0.255 C=C(C)COC(C)COCCCC 34a_100011217071_100000748629 [0,2,0,0,0,0|1,0,1]=4 6131 B12R0.255 C=C(C)COC(C)COCCCC 7a_100011217071_100000748629 [0,2,0,0,0,0|1,0,1]=4 6132 B12R0.255 C=C(F)COC(C)CCCCCC 34a_100000210265_100009893438 [0,2,0,0,0,0|1,0,1]=4 6133 B12R0.255 C=C(F)COC(C)CCCCCC 34a_200010262243_100011215978 [0,2,0,0,0,0|1,0,1]=4 6134 B12R0.255 C=C(F)COC(C)CCCCCC 7a_100000210265_100000042424 [0,2,0,0,0,0|1,0,1]=4 6135 B12R0.255 C=C(F)COC(C)COCCCC 34a_100011217071_100009893438 [0,2,0,0,0,0|1,0,1]=4 6136 B12R0.255 C=C(F)COC(C)COCCCC 7a_100011217071_100000042424 [0,2,0,0,0,0|1,0,1]=4 6137 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_100011215552_100000730704 [0,2,0,0,0,0|1,0,1]=4 6138 B12R0.255 C=CCCCCC(=O)CCC(=C)C 1458a_200000688413_100011215482 [0,2,0,0,0,0|1,0,1]=4 6139 B12R0.255 C=CCCCCC(=O)NCC(=C)C 11a_100000765925_100011215552 [0,2,0,0,0,0|1,0,1]=4 6140 B12R0.255 C=CCCCCC(=O)NCC(=C)C 1626a_100000765925_100011215552 [0,2,0,0,0,0|1,0,1]=4 6141 B12R0.255 C=CCCCCC(=O)NCC(=C)C 240690a_100000765925_100011215552 [0,2,0,0,0,0|1,0,1]=4 6142 B12R0.255 C=CCCCCC(=O)NCC(=C)C 527a_100000765925_100011215552 [0,2,0,0,0,0|1,0,1]=4 6143 B12R0.255 CCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210757 [0,2,0,0,0,0|2,0,0]=4 6144 B12R0.255 CCCCCCC(=O)NCC(=O)N 11a_100000711301_100102632555 [0,2,0,0,0,0|2,0,0]=4 6145 B12R0.255 CCCCCCC(=O)NCC(=O)N 240690a_100000711301_100102632555 [0,2,0,0,0,0|2,0,0]=4 6146 B12R0.255 CCCCCCC(=O)NCC(=O)N 527a_100000711301_100102632555 [0,2,0,0,0,0|2,0,0]=4 6147 B12R0.255 CCCCCNC(=O)CCC(=O)N 240690a_100000209983_100011215257 [0,2,0,0,0,0|2,0,0]=4 6148 B12R0.255 CCCCCNC(=O)CCC(=O)N 527a_100000209983_100011215257 [0,2,0,0,0,0|2,0,0]=4 6149 B12R0.255 CCCCCNC(=O)NCC(=O)N 2708a_100000209983_100000711301 [0,2,0,0,0,0|2,0,0]=4 6150 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000209983_100000711301 [0,2,0,0,0,0|2,0,0]=4 6151 B12R0.255 CCCCCNC(=O)NCC(=O)N 273464a_100000711301_100000209983 [0,2,0,0,0,0|2,0,0]=4 6152 B12R0.255 CCCCCNC(=O)NCC(=O)N 512a_100000209983_100000711301 [0,2,0,0,0,0|2,0,0]=4 6153 B12R0.255 CCCCNCC(=O)NCC(=O)O 269956a_100000183575_100000210211 [0,2,0,0,0,0|2,0,0]=4 6154 B12R0.255 CCCCOCC(=O)CCC(=O)N 1458a_100011215257_100011995733 [0,2,0,0,0,0|2,0,0]=4 6155 B12R0.255 CCCCOCC(=O)NCC(=O)N 11a_100000711301_100000757543 [0,2,0,0,0,0|2,0,0]=4 6156 B12R0.255 CCCCOCC(=O)NCC(=O)N 240690a_100000711301_100000757543 [0,2,0,0,0,0|2,0,0]=4 6157 B12R0.255 CCCCOCC(=O)NCC(=O)N 527a_100000711301_100000757543 [0,2,0,0,0,0|2,0,0]=4 6158 B12R0.255 CCCCSCC(=O)NCC(=O)N 11a_100000711301_100000191162 [0,2,0,0,0,0|2,0,0]=4 6159 B12R0.255 CCCCSCC(=O)NCC(=O)N 240690a_100000711301_100000191162 [0,2,0,0,0,0|2,0,0]=4 6160 B12R0.255 CCCCSCC(=O)NCC(=O)N 527a_100000711301_100000191162 [0,2,0,0,0,0|2,0,0]=4 6161 B12R0.255 CCCNCCC(=O)NCC(=O)O 269956a_100000722369_100000210207 [0,2,0,0,0,0|2,0,0]=4 6162 B12R0.255 CCCOCCC(=O)CCC(=O)N 1458a_100011215257_100011215938 [0,2,0,0,0,0|2,0,0]=4 6163 B12R0.255 CCOCCCC(=O)CCC(=O)N 1458a_100011215257_100012232248 [0,2,0,0,0,0|2,0,0]=4 6164 B12R0.255 COCCCCC(=O)CCC(=O)N 1458a_100011215257_100000755781 [0,2,0,0,0,0|2,0,0]=4 6165 B12R0.255 NC(=O)CCC(=O)CCCCCF 1458a_100011215257_100000729378 [0,2,0,0,0,0|2,0,0]=4 6166 B12R0.255 NC(=O)CCC(=O)CCCCCO 1458a_100011215257_100000746330 [0,2,0,0,0,0|2,0,0]=4 6167 B12R0.255 NC(=O)CNC(=O)CCCCCO 240690a_100000711301_100102619762 [0,2,0,0,0,0|2,0,0]=4 6168 B12R0.645 C=C(C)CNS(=O)(=O)CCCCC 270084a_100000765925_100000753860 [0,2,0,0,0,0|2,0,0]=4 6169 B12R0.645 C=C(C)CNS(=O)(=O)CCCCC 274078a_100000765925_100000753860 [0,2,0,0,0,0|2,0,0]=4 6170 B12R0.6 C=CCCC(=O)CCS(=O)(=O)CC 1458a_100000749702_100000756660 [0,2,0,0,0,0|2,0,0]=4 6171 B12R0.6 C=CCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183597 [0,2,0,0,0,0|2,0,0]=4 6172 B12R0.6 C=CCNC(=O)COC(C)(C)CC 7a_100000210230_100000183597 [0,2,0,0,0,0|2,0,0]=4 6173 B12R0.6 C=CCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183597 [0,2,0,0,0,0|2,0,0]=4 6174 B12R0.6 C=CCNC(=O)CSC(C)(C)CC 62a_100000183597_100000032637 [0,2,0,0,0,0|2,0,0]=4 6175 B12R0.6 C=CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000033060 [0,2,0,0,0,0|1,0,0]=3 6176 B12R0.6 C=CCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000033060 [0,2,0,0,0,0|2,0,0]=4 6177 B12R0.6 C=CCOC(=O)COC(C)(C)CC 7a_100000210230_100000033060 [0,2,0,0,0,0|1,0,0]=3 6178 B12R0.6 C=CCOC(=O)COC(C)(C)CCl 7a_100000764493_100000033060 [0,2,0,0,0,0|2,0,0]=4 6179 B12R0.6 C=CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000033060 [0,2,0,0,0,0|1,0,0]=3 6180 B12R0.6 C=CCOC(=O)CSC(C)(C)CC 62a_100000033060_100000032637 [0,2,0,0,0,0|1,0,0]=3 6181 B12R0.6 C=CCOC(=O)CSC(F)(F)CO 62a_100000033060_100011217949 [0,2,0,0,0,0|2,0,0]=4 6182 B12R0.6 C=CCOC(=O)CSC(F)(F)CO 62a_100011217949_100000033060 [0,2,0,0,0,0|2,0,0]=4 6183 B12R0.48 C=CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000754431 [0,2,0,0,0,0|2,0,0]=4 6184 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000749702 [0,2,0,0,0,0|2,0,0]=4 6185 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000749702 [0,2,0,0,0,0|2,0,0]=4 6186 B12R0.48 C=CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000749702 [0,2,0,0,0,0|2,0,0]=4 6187 B12R0.48 C=CCNC(=O)CCN(C)C(C)C 1626a_100020586998_100015184040 [0,2,0,0,0,0|2,0,0]=4 6188 B12R0.48 C=CCNC(=O)CCN(C)C(C)C 240690a_100020586998_100015184040 [0,2,0,0,0,0|2,0,0]=4 6189 B12R0.48 C=CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100011222895 [0,2,0,0,0,0|2,0,0]=4 6190 B12R0.48 C=CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183597 [0,2,0,0,0,0|2,0,0]=4 6191 B12R0.48 C=CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183597 [0,2,0,0,0,0|2,0,0]=4 6192 B12R0.48 C=CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100020586998 [0,2,0,0,0,0|2,0,0]=4 6193 B12R0.48 C=CCNC(=O)NCC(O)C(C)C 273464a_100020586998_100000759067 [0,2,0,0,0,0|2,0,0]=4 6194 B12R0.48 C=CCNC(=O)NCC(O)C(C)C 512a_100000759067_100020586998 [0,2,0,0,0,0|2,0,0]=4 6195 B12R0.48 C=CCNC(=O)NCC(O)C(C)C 512a_100020586998_100000759067 [0,2,0,0,0,0|2,0,0]=4 6196 B12R0.48 C=CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000033060 [0,2,0,0,0,0|1,0,0]=3 6197 B12R0.48 C=CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000033060 [0,2,0,0,0,0|1,0,1]=4 6198 B12R0.48 C=CCOC(=O)COC(C)C(C)C 7a_100000748068_100000033060 [0,2,0,0,0,0|1,0,0]=3 6199 B12R0.48 C=CCOC(=O)CSC(C)C(=O)C 62a_100000033060_100009814033 [0,2,0,0,0,0|1,0,1]=4 6200 B12R0.48 C=CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000033060 [0,2,0,0,0,0|1,0,1]=4 6201 B12R0.48 C=CCOC(=O)NCC(=O)C(C)C 1458a_100000216761_100000210206 [0,2,0,0,0,0|1,0,1]=4 6202 B12R0.101 C#CCC(C)OCC(=O)OCC=C 34a_100000685586_100000033060 [0,2,0,0,0,0|0,0,2]=4 6203 B12R0.101 C#CCC(C)OCC(=O)OCC=C 7a_100000685586_100000033060 [0,2,0,0,0,0|0,0,2]=4 6204 B12R0.101 C=CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000754431 [0,2,0,0,0,0|1,0,1]=4 6205 B12R0.101 C=CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000754431 [0,2,0,0,0,0|1,0,1]=4 6206 B12R0.101 C=CCCC(=O)COC(=O)CCC 1458a_100000749702_100000034017 [0,2,0,0,0,0|1,0,1]=4 6207 B12R0.101 C=CCCC(=O)NCC(O)COC 240690a_100000756049_100000749702 [0,2,0,0,0,0|2,0,0]=4 6208 B12R0.101 C=CCCC(=O)NCC(O)COC 527a_100000756049_100000749702 [0,2,0,0,0,0|2,0,0]=4 6209 B12R0.101 C=CCNC(=O)CCC(=O)NCC 1626a_100020586998_100000199579 [0,2,0,0,0,0|1,0,1]=4 6210 B12R0.101 C=CCNC(=O)CCC(=O)NCC 240690a_100020586998_100000199579 [0,2,0,0,0,0|1,0,1]=4 6211 B12R0.101 C=CCNC(=O)CCC(=O)OCC 1626a_100020586998_100000183558 [0,2,0,0,0,0|1,0,1]=4 6212 B12R0.101 C=CCNC(=O)CCC(=O)OCC 240690a_100020586998_100000183558 [0,2,0,0,0,0|1,0,1]=4 6213 B12R0.101 C=CCNC(=O)CCN(C)CCC 2230a_100000747261_100011222895 [0,2,0,0,0,0|1,0,0]=3 6214 B12R0.101 C=CCNC(=O)CCN(C)CCC 269982a_100000747261_100011222895 [0,2,0,0,0,0|1,0,0]=3 6215 B12R0.101 C=CCNC(=O)CCN(C)CCO 2230a_100000210263_100011222895 [0,2,0,0,0,0|2,0,0]=4 6216 B12R0.101 C=CCNC(=O)CCN(C)CCO 269982a_100000210263_100011222895 [0,2,0,0,0,0|2,0,0]=4 6217 B12R0.101 C=CCNC(=O)CNC(C)CCC 2230a_100000741246_100000183597 [0,2,0,0,0,0|1,0,0]=3 6218 B12R0.101 C=CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183597 [0,2,0,0,0,0|2,0,0]=4 6219 B12R0.101 C=CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183597 [0,2,0,0,0,0|2,0,0]=4 6220 B12R0.101 C=CCNC(=O)COC(C)CCC 7a_100000764384_100000183597 [0,2,0,0,0,0|1,0,0]=3 6221 B12R0.101 C=CCNC(=O)CSC(C)CCC 62a_100000183597_100000766640 [0,2,0,0,0,0|1,0,0]=3 6222 B12R0.101 C=CCNC(=O)CSC(C)CCC 62a_100000766640_100000183597 [0,2,0,0,0,0|1,0,0]=3 6223 B12R0.101 C=CCNC(=O)CSC(C)CCO 62a_100000183597_100009893172 [0,2,0,0,0,0|2,0,0]=4 6224 B12R0.101 C=CCNC(=O)CSC(C)CCO 62a_100009893172_100000183597 [0,2,0,0,0,0|2,0,0]=4 6225 B12R0.101 C=CCNC(=O)CSC(C)COC 62a_100000183597_100000765312 [0,2,0,0,0,0|2,0,0]=4 6226 B12R0.101 C=CCNC(=O)CSC(C)COC 62a_100000765312_100000183597 [0,2,0,0,0,0|2,0,0]=4 6227 B12R0.101 C=CCNC(=O)NCC(O)COC 273464a_100000756049_100020586998 [0,2,0,0,0,0|2,0,0]=4 6228 B12R0.101 C=CCNC(=O)NCC(O)COC 273464a_100020586998_100000756049 [0,2,0,0,0,0|2,0,0]=4 6229 B12R0.101 C=CCNC(=O)NCC(O)COC 512a_100000756049_100020586998 [0,2,0,0,0,0|2,0,0]=4 6230 B12R0.101 C=CCNC(=O)NCC(O)COC 512a_100020586998_100000756049 [0,2,0,0,0,0|2,0,0]=4 6231 B12R0.101 C=CCOC(=O)CNC(C)CCC 2230a_100000741246_100000033060 [0,2,0,0,0,0|0,0,0]=2 6232 B12R0.101 C=CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000033060 [0,2,0,0,0,0|1,0,1]=4 6233 B12R0.101 C=CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000033060 [0,2,0,0,0,0|1,0,0]=3 6234 B12R0.101 C=CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000033060 [0,2,0,0,0,0|1,0,0]=3 6235 B12R0.101 C=CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000033060 [0,2,0,0,0,0|1,0,0]=3 6236 B12R0.101 C=CCOC(=O)COC(C)/C=C/C 34a_200102604097_100000033060 [0,2,0,0,0,0|0,0,2]=4 6237 B12R0.101 C=CCOC(=O)COC(C)C#CC 34a_100011216543_100000033060 [0,2,0,0,0,0|0,0,2]=4 6238 B12R0.101 C=CCOC(=O)COC(C)CCBr 34a_100012276601_100000033060 [0,2,0,0,0,0|1,0,0]=3 6239 B12R0.101 C=CCOC(=O)COC(C)CCC 34a_100000764384_100000033060 [0,2,0,0,0,0|0,0,0]=2 6240 B12R0.101 C=CCOC(=O)COC(C)CCC 7a_100000764384_100000033060 [0,2,0,0,0,0|0,0,0]=2 6241 B12R0.101 C=CCOC(=O)CO[C@H](C)CC=C 34a_100000731007_100000033060 [0,2,0,0,0,0|0,0,2]=4 6242 B12R0.101 C=CCOC(=O)CO[C@H](C)CC=C 7a_100000731007_100000033060 [0,2,0,0,0,0|0,0,2]=4 6243 B12R0.101 C=CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000033060 [0,2,0,0,0,0|1,0,0]=3 6244 B12R0.101 C=CCOC(=O)CSC(C)CC#N 62a_100000033060_100009813641 [0,2,0,0,0,0|1,0,1]=4 6245 B12R0.101 C=CCOC(=O)CSC(C)CC#N 62a_100009813641_100000033060 [0,2,0,0,0,0|1,0,1]=4 6246 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000033060_100000766640 [0,2,0,0,0,0|0,0,0]=2 6247 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000766640_100000033060 [0,2,0,0,0,0|0,0,0]=2 6248 B12R0.101 C=CCOC(=O)CSC(C)CCO 62a_100000033060_100009893172 [0,2,0,0,0,0|1,0,0]=3 6249 B12R0.101 C=CCOC(=O)CSC(C)CCO 62a_100009893172_100000033060 [0,2,0,0,0,0|1,0,0]=3 6250 B12R0.101 C=CCOC(=O)CSC(C)COC 62a_100000033060_100000765312 [0,2,0,0,0,0|1,0,0]=3 6251 B12R0.101 C=CCOC(=O)CSC(C)COC 62a_100000765312_100000033060 [0,2,0,0,0,0|1,0,0]=3 6252 B12R0.101 C=CCOC(=O)NCC(=O)CCC 1458a_100000216761_100000210303 [0,2,0,0,0,0|0,0,1]=3 6253 B12R0.101 C=CCOC(=O)NCC(=O)CCF 1458a_100000216761_100011217306 [0,2,0,0,0,0|1,0,1]=4 6254 B12R0.101 C=CCOC(=O)NCC(=O)CCO 1458a_100000216761_100000211926 [0,2,0,0,0,0|1,0,1]=4 6255 B12R0.101 C=CCOC(=O)NCC(=O)NCC 11a_100015525214_100000216761 [0,2,0,0,0,0|1,0,1]=4 6256 B12R0.101 C=CCOC(=O)NCC(=O)NCC 240690a_100015525214_100000216761 [0,2,0,0,0,0|1,0,1]=4 6257 B12R0.101 C=CCOC(=O)NCC(=O)NCC 527a_100015525214_100000216761 [0,2,0,0,0,0|1,0,1]=4 6258 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,2,0,0,0,0|0,0,2]=4 6259 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,2,0,0,0,0|0,0,2]=4 6260 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,2,0,0,0,0|0,0,2]=4 6261 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,2,0,0,0,0|0,0,2]=4 6262 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,2,0,0,0,0|0,0,2]=4 6263 B12R0.133 C#CC(CC)OCC(=O)NCC=C 7a_100000758843_100000183597 [0,2,0,0,0,0|2,0,0]=4 6264 B12R0.133 C#CC(CC)OCC(=O)OCC=C 34a_100000758843_100000033060 [0,2,0,0,0,0|1,0,0]=3 6265 B12R0.133 C#CC(CC)OCC(=O)OCC=C 7a_100000758843_100000033060 [0,2,0,0,0,0|1,0,0]=3 6266 B12R0.133 C=CCCC(=O)CCC(OC)OC 1458a_100000749702_100000139399 [0,2,0,0,0,0|2,0,0]=4 6267 B12R0.133 C=CCCC(=O)CCC(OC)OC 1458a_200000082759_100000754431 [0,2,0,0,0,0|2,0,0]=4 6268 B12R0.133 C=CCCC(=O)CCN(CC)CC 1458a_100000749702_100000700428 [0,2,0,0,0,0|2,0,0]=4 6269 B12R0.133 C=CCCC(=O)CCN(CC)CC 1458a_100000750416_100000754431 [0,2,0,0,0,0|2,0,0]=4 6270 B12R0.133 C=CCCC(=O)COC(CC)CC 1458a_100012002705_100000754431 [0,2,0,0,0,0|2,0,0]=4 6271 B12R0.133 C=CCCC(=O)NCC(CC)CC 11a_100102946423_100000749702 [0,2,0,0,0,0|2,0,0]=4 6272 B12R0.133 C=CCCC(=O)NCC(CC)CC 1626a_100102946423_100000749702 [0,2,0,0,0,0|2,0,0]=4 6273 B12R0.133 C=CCCC(=O)NCC(CC)CC 240690a_100102946423_100000749702 [0,2,0,0,0,0|2,0,0]=4 6274 B12R0.133 C=CCCC(=O)NCC(CC)CC 527a_100102946423_100000749702 [0,2,0,0,0,0|2,0,0]=4 6275 B12R0.133 C=CCCC(=O)NCC(CC)OC 11a_100000731041_100000749702 [0,2,0,0,0,0|2,0,0]=4 6276 B12R0.133 C=CCCC(=O)NCC(CC)OC 1626a_100000731041_100000749702 [0,2,0,0,0,0|2,0,0]=4 6277 B12R0.133 C=CCCC(=O)NCC(CC)OC 240690a_100000731041_100000749702 [0,2,0,0,0,0|2,0,0]=4 6278 B12R0.133 C=CCCC(=O)NCC(CC)OC 527a_100000731041_100000749702 [0,2,0,0,0,0|2,0,0]=4 6279 B12R0.133 C=CCNC(=O)CCC(OC)OC 1626a_100020586998_200000082759 [0,2,0,0,0,0|2,0,0]=4 6280 B12R0.133 C=CCNC(=O)CCC(OC)OC 240690a_100020586998_200000082759 [0,2,0,0,0,0|2,0,0]=4 6281 B12R0.133 C=CCNC(=O)CCC(OC)OC 527a_100020586998_200000082759 [0,2,0,0,0,0|2,0,0]=4 6282 B12R0.133 C=CCNC(=O)CCN(CC)CC 2230a_100000724800_100011222895 [0,2,0,0,0,0|2,0,0]=4 6283 B12R0.133 C=CCNC(=O)CCN(CC)CC 240690a_100020586998_100000750416 [0,2,0,0,0,0|2,0,0]=4 6284 B12R0.133 C=CCNC(=O)CCN(CC)CC 269956a_100000042499_100011222895 [0,2,0,0,0,0|2,0,0]=4 6285 B12R0.133 C=CCNC(=O)CCN(CC)CC 269982a_100000724800_100011222895 [0,2,0,0,0,0|2,0,0]=4 6286 B12R0.133 C=CCNC(=O)CNC(CC)CC 2230a_100000199018_100000183597 [0,2,0,0,0,0|2,0,0]=4 6287 B12R0.133 C=CCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183597 [0,2,0,0,0,0|2,0,0]=4 6288 B12R0.133 C=CCNC(=O)COC(C=C)CC 7a_100000766422_100000183597 [0,2,0,0,0,0|2,0,0]=4 6289 B12R0.133 C=CCNC(=O)COC(CC)CC 1626a_100020586998_100012002705 [0,2,0,0,0,0|2,0,0]=4 6290 B12R0.133 C=CCNC(=O)COC(CC)CC 240690a_100020586998_100012002705 [0,2,0,0,0,0|2,0,0]=4 6291 B12R0.133 C=CCNC(=O)COC(CC)CC 527a_100020586998_100012002705 [0,2,0,0,0,0|2,0,0]=4 6292 B12R0.133 C=CCNC(=O)COC(CC)CC 7a_100000688536_100000183597 [0,2,0,0,0,0|2,0,0]=4 6293 B12R0.133 C=CCNC(=O)CSC(CC)CC 62a_100000183597_100000210505 [0,2,0,0,0,0|2,0,0]=4 6294 B12R0.133 C=CCNC(=O)CSC(CC)CC 62a_100000210505_100000183597 [0,2,0,0,0,0|2,0,0]=4 6295 B12R0.133 C=CCNC(=O)NCC(CC)CC 2708a_100102946423_100020586998 [0,2,0,0,0,0|2,0,0]=4 6296 B12R0.133 C=CCNC(=O)NCC(CC)CC 273464a_100020586998_100102946423 [0,2,0,0,0,0|2,0,0]=4 6297 B12R0.133 C=CCNC(=O)NCC(CC)CC 273464a_100102946423_100020586998 [0,2,0,0,0,0|2,0,0]=4 6298 B12R0.133 C=CCNC(=O)NCC(CC)CC 512a_100020586998_100102946423 [0,2,0,0,0,0|2,0,0]=4 6299 B12R0.133 C=CCNC(=O)NCC(CC)CC 512a_100102946423_100020586998 [0,2,0,0,0,0|2,0,0]=4 6300 B12R0.133 C=CCNC(=O)NCC(CC)OC 2708a_100000731041_100020586998 [0,2,0,0,0,0|2,0,0]=4 6301 B12R0.133 C=CCNC(=O)NCC(CC)OC 273464a_100000731041_100020586998 [0,2,0,0,0,0|2,0,0]=4 6302 B12R0.133 C=CCNC(=O)NCC(CC)OC 273464a_100020586998_100000731041 [0,2,0,0,0,0|2,0,0]=4 6303 B12R0.133 C=CCNC(=O)NCC(CC)OC 512a_100000731041_100020586998 [0,2,0,0,0,0|2,0,0]=4 6304 B12R0.133 C=CCNC(=O)NCC(CC)OC 512a_100020586998_100000731041 [0,2,0,0,0,0|2,0,0]=4 6305 B12R0.133 C=CCOC(=O)CNC(CC)CC 2230a_100000199018_100000033060 [0,2,0,0,0,0|1,0,0]=3 6306 B12R0.133 C=CCOC(=O)CNC(CO)CO 2230a_100000759517_100000033060 [0,2,0,0,0,0|2,0,0]=4 6307 B12R0.133 C=CCOC(=O)CN[C@@H](C=C)CO 2230a_100016989147_100000033060 [0,2,0,0,0,0|2,0,0]=4 6308 B12R0.133 C=CCOC(=O)CN[C@@H](C=C)CO 34a_100016989147_100000033060 [0,2,0,0,0,0|2,0,0]=4 6309 B12R0.133 C=CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000033060 [0,2,0,0,0,0|1,0,0]=3 6310 B12R0.133 C=CCOC(=O)COC(C=C)CC 34a_100000766422_100000033060 [0,2,0,0,0,0|1,0,0]=3 6311 B12R0.133 C=CCOC(=O)COC(C=C)CC 7a_100000766422_100000033060 [0,2,0,0,0,0|1,0,0]=3 6312 B12R0.133 C=CCOC(=O)COC(CC)CC 7a_100000688536_100000033060 [0,2,0,0,0,0|1,0,0]=3 6313 B12R0.133 C=CCOC(=O)COC(CCl)CCl 7a_100000737055_100000033060 [0,2,0,0,0,0|2,0,0]=4 6314 B12R0.133 C=CCOC(=O)COC(CF)CF 34a_100000032261_100000033060 [0,2,0,0,0,0|2,0,0]=4 6315 B12R0.133 C=CCOC(=O)COC(CF)CF 7a_100000032261_100000033060 [0,2,0,0,0,0|2,0,0]=4 6316 B12R0.133 C=CCOC(=O)COC(CN)CN 34a_100000031598_100000033060 [0,2,0,0,0,0|2,0,0]=4 6317 B12R0.133 C=CCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000033060 [0,2,0,0,0,0|2,0,0]=4 6318 B12R0.133 C=CCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000033060 [0,2,0,0,0,0|2,0,0]=4 6319 B12R0.133 C=CCOC(=O)CSC(CC)CC 62a_100000033060_100000210505 [0,2,0,0,0,0|1,0,0]=3 6320 B12R0.133 C=CCOC(=O)CSC(CC)CC 62a_100000210505_100000033060 [0,2,0,0,0,0|1,0,0]=3 6321 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 11a_100020588543_100011934298 [0,2,0,0,0,0|2,0,0]=4 6322 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 1626a_100020588543_100011934298 [0,2,0,0,0,0|2,0,0]=4 6323 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 240690a_100020588543_100011934298 [0,2,0,0,0,0|2,0,0]=4 6324 B12R0.147 C=CC(C)CC(=O)NCC(C)CC 527a_100020588543_100011934298 [0,2,0,0,0,0|2,0,0]=4 6325 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 11a_100011218483_100011934298 [0,2,0,0,0,0|2,0,0]=4 6326 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 240690a_100011218483_100011934298 [0,2,0,0,0,0|2,0,0]=4 6327 B12R0.147 C=CC(C)CC(=O)NCC(O)CC 527a_100011218483_100011934298 [0,2,0,0,0,0|2,0,0]=4 6328 B12R0.193 C=CCC(C)C(=O)NCC(C)CC 11a_100020588543_100011216819 [0,2,0,0,0,0|2,0,0]=4 6329 B12R0.193 C=CCC(C)C(=O)NCC(C)CC 1626a_100020588543_100011216819 [0,2,0,0,0,0|2,0,0]=4 6330 B12R0.193 C=CCC(C)C(=O)NCC(C)CC 240690a_100020588543_100011216819 [0,2,0,0,0,0|2,0,0]=4 6331 B12R0.193 C=CCC(C)C(=O)NCC(C)CC 527a_100020588543_100011216819 [0,2,0,0,0,0|2,0,0]=4 6332 B12R0.193 C=CCC(C)C(=O)NCC(O)CC 11a_100011218483_100011216819 [0,2,0,0,0,0|2,0,0]=4 6333 B12R0.193 C=CCC(C)C(=O)NCC(O)CC 240690a_100011218483_100011216819 [0,2,0,0,0,0|2,0,0]=4 6334 B12R0.193 C=CCC(C)C(=O)NCC(O)CC 527a_100011218483_100011216819 [0,2,0,0,0,0|2,0,0]=4 6335 B12R0.193 C=CCN(C)C(=O)CCC(C)CC 11a_100000225617_100000701222 [0,2,0,0,0,0|1,0,0]=3 6336 B12R0.193 C=CCN(C)C(=O)CCC(C)CC 1626a_100000225617_100000701222 [0,2,0,0,0,0|1,0,0]=3 6337 B12R0.193 C=CCN(C)C(=O)CCC(C)CC 240690a_100000225617_100000701222 [0,2,0,0,0,0|1,0,0]=3 6338 B12R0.193 C=CCN(C)C(=O)CCC(C)CC 527a_100000225617_100000701222 [0,2,0,0,0,0|1,0,0]=3 6339 B12R0.193 C=CCN(C)C(=O)CCC(O)CC 1626a_100000225617_203496584001 [0,2,0,0,0,0|1,0,0]=3 6340 B12R0.193 C=CCN(C)C(=O)CCC(O)CC 240690a_100000225617_203496584001 [0,2,0,0,0,0|1,0,0]=3 6341 B12R0.193 C=CCN(C)C(=O)CCN(C)CC 240690a_100000225617_100000755305 [0,2,0,0,0,0|2,0,0]=4 6342 B12R0.193 C=CCN(C)C(=O)CCS(=O)CC 11a_100000225617_100011387550 [0,2,0,0,0,0|2,0,0]=4 6343 B12R0.193 C=CCN(C)C(=O)CCS(=O)CC 1626a_100000225617_100011387550 [0,2,0,0,0,0|2,0,0]=4 6344 B12R0.193 C=CCN(C)C(=O)CCS(=O)CC 240690a_100000225617_100011387550 [0,2,0,0,0,0|2,0,0]=4 6345 B12R0.193 C=CCN(C)C(=O)CCS(=O)CC 527a_100000225617_100011387550 [0,2,0,0,0,0|2,0,0]=4 6346 B12R0.193 C=CCN(C)C(=O)NCC(C)CC 2708a_100020588543_100000225617 [0,2,0,0,0,0|2,0,0]=4 6347 B12R0.193 C=CCN(C)C(=O)NCC(C)CC 273464a_100020588543_100000225617 [0,2,0,0,0,0|2,0,0]=4 6348 B12R0.193 C=CCN(C)C(=O)NCC(O)CC 273464a_100011218483_100000225617 [0,2,0,0,0,0|2,0,0]=4 6349 B12R0.47 C#CCCCC(=O)CCOCC=C 1458a_200011217002_100000731252 [0,2,0,0,0,0|0,0,2]=4 6350 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000696528_100000757094 [0,2,0,0,0,0|1,0,1]=4 6351 B12R0.47 C#CCCCCC(=O)CCCC=C 1458a_100000766728_100010269958 [0,2,0,0,0,0|1,0,1]=4 6352 B12R0.47 C#CCCCCC(=O)CCOC=C 1458a_100000696528_100000039644 [0,2,0,0,0,0|1,0,1]=4 6353 B12R0.47 C#CCCCCC(=O)CSCC=C 1458a_100000230395_100010269958 [0,2,0,0,0,0|0,1,1]=4 6354 B12R0.47 C#CCCCCC(=O)NCCC=C 11a_100015191253_100000696528 [0,2,0,0,0,0|1,0,1]=4 6355 B12R0.47 C#CCCCCC(=O)NCCC=C 1626a_100015191253_100000696528 [0,2,0,0,0,0|1,0,1]=4 6356 B12R0.47 C#CCCCCC(=O)NCCC=C 240690a_100015191253_100000696528 [0,2,0,0,0,0|1,0,1]=4 6357 B12R0.47 C#CCCCCC(=O)NCCC=C 527a_100015191253_100000696528 [0,2,0,0,0,0|1,0,1]=4 6358 B12R0.47 C#CCCCCC(=O)NNCC=C 22a_100020588587_100000696528 [0,2,0,0,0,0|1,0,1]=4 6359 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [0,2,0,0,0,0|0,0,2]=4 6360 B12R0.47 C#CCOCC(=O)CCCCCC 1458a_100011251226_100000210757 [0,2,0,0,0,0|0,0,2]=4 6361 B12R0.47 C#CCOCC(=O)CCCCCF 1458a_100011251226_100000729378 [0,2,0,0,0,0|0,0,2]=4 6362 B12R0.47 C#CCOCC(=O)CCCCCO 1458a_100011251226_100000746330 [0,2,0,0,0,0|0,0,2]=4 6363 B12R0.47 C#CCOCC(=O)CCCCOC 1458a_100011251226_100000755781 [0,2,0,0,0,0|0,0,2]=4 6364 B12R0.47 C#CCOCC(=O)CCCOCC 1458a_100011251226_100012232248 [0,2,0,0,0,0|0,0,2]=4 6365 B12R0.47 C#CCOCC(=O)CCOCCC 1458a_100011251226_100011215938 [0,2,0,0,0,0|0,0,2]=4 6366 B12R0.47 C#CCOCC(=O)COCCCC 1458a_100011251226_100011995733 [0,2,0,0,0,0|0,0,2]=4 6367 B12R0.47 C#CCOCC(=O)NCCCCC 11a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 6368 B12R0.47 C#CCOCC(=O)NCCCCC 1626a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 6369 B12R0.47 C#CCOCC(=O)NCCCCC 34a_100000210247_100000230301 [0,2,0,0,0,0|0,0,2]=4 6370 B12R0.47 C#CCOCC(=O)NCCCCC 527a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 6371 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000212188_100010402529 [0,2,0,0,0,0|0,0,2]=4 6372 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000693358_100000210326 [0,2,0,0,0,0|0,0,2]=4 6373 B12R0.47 C/C=C/C=CC(=O)CCCCCC 1458a_100000185730_100000210757 [0,2,0,0,0,0|1,0,1]=4 6374 B12R0.47 C/C=C/C=CC(=O)CCCCCF 1458a_100000185730_100000729378 [0,2,0,0,0,0|1,0,1]=4 6375 B12R0.47 C/C=C/C=CC(=O)CCCCCO 1458a_100000185730_100000746330 [0,2,0,0,0,0|1,0,1]=4 6376 B12R0.47 C/C=C/C=CC(=O)CCCCOC 1458a_100000185730_100000755781 [0,2,0,0,0,0|1,0,1]=4 6377 B12R0.47 C/C=C/C=CC(=O)CCCOCC 1458a_100000185730_100012232248 [0,2,0,0,0,0|1,0,1]=4 6378 B12R0.47 C/C=C/C=CC(=O)CCOCCC 1458a_100000185730_100011215938 [0,2,0,0,0,0|1,0,1]=4 6379 B12R0.47 C/C=C/C=CC(=O)COCCCC 1458a_100000185730_100011995733 [0,2,0,0,0,0|1,0,1]=4 6380 B12R0.47 C/C=C/C=CC(=O)NCCCCC 11a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 6381 B12R0.47 C/C=C/C=CC(=O)NCCCCC 1626a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 6382 B12R0.47 C/C=C/C=CC(=O)NCCCCC 240690a_100000209983_100000185730 [0,2,0,0,0,0|1,0,1]=4 6383 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,2,0,0,0,0|1,0,1]=4 6384 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 6385 B12R0.47 C/C=C/COC(C)CCCCCC 34a_100016270725_100011215978 [0,2,0,0,0,0|1,0,1]=4 6386 B12R0.47 C/C=C/COC(C)CCCCCC 7a_100000210265_100102629194 [0,2,0,0,0,0|1,0,1]=4 6387 B12R0.47 C/C=C/COC(C)COCCCC 34a_100011217071_100102629194 [0,2,0,0,0,0|1,0,1]=4 6388 B12R0.47 C/C=C/COC(C)COCCCC 7a_100011217071_100102629194 [0,2,0,0,0,0|1,0,1]=4 6389 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [0,2,0,0,0,0|0,0,0]=2 6390 B12R0.47 C/C=C/COCC(=O)NCCCC 34a_100016270725_100000182744 [0,2,0,0,0,0|1,0,0]=3 6391 B12R0.47 C/C=C/COCC(=O)NCCOC 34a_100016270725_100000183275 [0,2,0,0,0,0|2,0,0]=4 6392 B12R0.47 C/C=C/COCC(=O)OCCCC 34a_100016270725_100000211628 [0,2,0,0,0,0|1,0,0]=3 6393 B12R0.47 C/C=C/COCC(=O)OCCOC 34a_100016270725_200000040189 [0,2,0,0,0,0|2,0,0]=4 6394 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_100102629194_200012276598 [0,2,0,0,0,0|0,1,0]=3 6395 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_200012276598_100102629194 [0,2,0,0,0,0|0,1,0]=3 6396 B12R0.47 C/C=C/CSCC(=O)NCCCC 62a_100000182744_100102629194 [0,2,0,0,0,0|1,1,0]=4 6397 B12R0.47 C/C=C/CSCC(=O)NCCCC 62a_100102629194_100000182744 [0,2,0,0,0,0|1,1,0]=4 6398 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100000211628_100102629194 [0,2,0,0,0,0|1,1,0]=4 6399 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100102629194_100000211628 [0,2,0,0,0,0|1,1,0]=4 6400 B12R0.47 C=CCCCC(=O)C/C=C/CCC 1458a_200016266809_100000757094 [0,2,0,0,0,0|1,0,1]=4 6401 B12R0.47 C=CCCCC(=O)C=CCCCC 1458a_100016266645_100000757094 [0,2,0,0,0,0|1,0,1]=4 6402 B12R0.47 C=CCCCC(=O)CC/C=C\CC 1458a_100000766728_100015370543 [0,2,0,0,0,0|1,0,1]=4 6403 B12R0.47 C=CCCCC(=O)CCCCC#N 1458a_100000766728_100000211819 [0,2,0,0,0,0|1,0,1]=4 6404 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,0]=3 6405 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,0]=3 6406 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,2,0,0,0,0|1,0,0]=3 6407 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|1,0,0]=3 6408 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|1,0,0]=3 6409 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,2,0,0,0,0|1,0,0]=3 6410 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,2,0,0,0,0|1,0,0]=3 6411 B12R0.47 C=CCCCC(=O)CCOCC=C 1458a_200011217002_100000757094 [0,2,0,0,0,0|0,0,2]=4 6412 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,2,0,0,0,0|1,0,0]=3 6413 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100000766728_100011215305 [0,2,0,0,0,0|2,0,0]=4 6414 B12R0.47 C=CCCCC(=O)CCOCCO 1458a_100011229844_100000757094 [0,2,0,0,0,0|2,0,0]=4 6415 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,2,0,0,0,0|1,0,0]=3 6416 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,2,0,0,0,0|1,0,0]=3 6417 B12R0.47 C=CCCCC(=O)COCCOC 1458a_100000211095_100000757094 [0,2,0,0,0,0|2,0,0]=4 6418 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,2,0,0,0,0|1,0,0]=3 6419 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 6420 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 6421 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 6422 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,2,0,0,0,0|1,0,0]=3 6423 B12R0.47 C=CCCCC(=O)NCCCCO 240690a_100000750430_100000766728 [0,2,0,0,0,0|2,0,0]=4 6424 B12R0.47 C=CCCCC(=O)NCCCCO 527a_100000750430_100000766728 [0,2,0,0,0,0|2,0,0]=4 6425 B12R0.47 C=CCCCC(=O)NCCCOC 1626a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 6426 B12R0.47 C=CCCCC(=O)NCCCOC 240690a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 6427 B12R0.47 C=CCCCC(=O)NCCCOC 527a_100150723488_100000766728 [0,2,0,0,0,0|2,0,0]=4 6428 B12R0.47 C=CCCCC(=O)NCCCSC 11a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 6429 B12R0.47 C=CCCCC(=O)NCCCSC 1626a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 6430 B12R0.47 C=CCCCC(=O)NCCCSC 240690a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 6431 B12R0.47 C=CCCCC(=O)NCCCSC 527a_100000749238_100000766728 [0,2,0,0,0,0|2,0,0]=4 6432 B12R0.47 C=CCCCC(=O)NCCOCC 11a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 6433 B12R0.47 C=CCCCC(=O)NCCOCC 1626a_102516460346_100000766728 [0,2,0,0,0,0|2,0,0]=4 6434 B12R0.47 C=CCCCC(=O)NCCOCC 240690a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 6435 B12R0.47 C=CCCCC(=O)NCCOCC 527a_100011200944_100000766728 [0,2,0,0,0,0|2,0,0]=4 6436 B12R0.47 C=CCCCC(=O)NCCSCC 11a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 6437 B12R0.47 C=CCCCC(=O)NCCSCC 1626a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 6438 B12R0.47 C=CCCCC(=O)NCCSCC 240690a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 6439 B12R0.47 C=CCCCC(=O)NCCSCC 527a_100000106463_100000766728 [0,2,0,0,0,0|2,0,0]=4 6440 B12R0.47 C=CCCCC(=O)NNCCCC 22a_100025702795_100000766728 [0,2,0,0,0,0|2,0,0]=4 6441 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100000766728_100011215482 [0,2,0,0,0,0|1,0,1]=4 6442 B12R0.47 C=CCCCCC(=O)CCCC=C 1458a_100011215552_100000757094 [0,2,0,0,0,0|1,0,1]=4 6443 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,2,0,0,0,0|1,0,0]=3 6444 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,2,0,0,0,0|1,0,0]=3 6445 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,2,0,0,0,0|2,0,0]=4 6446 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,2,0,0,0,0|2,0,0]=4 6447 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,2,0,0,0,0|2,0,0]=4 6448 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,2,0,0,0,0|2,0,0]=4 6449 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,2,0,0,0,0|2,0,0]=4 6450 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,2,0,0,0,0|2,0,0]=4 6451 B12R0.47 C=CCCCCC(=O)CCOC=C 1458a_100011215552_100000039644 [0,2,0,0,0,0|1,0,1]=4 6452 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,2,0,0,0,0|2,0,0]=4 6453 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,2,0,0,0,0|2,0,0]=4 6454 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,2,0,0,0,0|2,0,0]=4 6455 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,2,0,0,0,0|2,0,0]=4 6456 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,2,0,0,0,0|2,0,0]=4 6457 B12R0.47 C=CCCCCC(=O)CSCC=C 1458a_100000230395_100011215482 [0,2,0,0,0,0|0,1,1]=4 6458 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,2,0,0,0,0|2,0,0]=4 6459 B12R0.47 C=CCCCCC(=O)NCCC=C 11a_100015191253_100011215552 [0,2,0,0,0,0|1,0,1]=4 6460 B12R0.47 C=CCCCCC(=O)NCCC=C 1626a_100015191253_100011215552 [0,2,0,0,0,0|1,0,1]=4 6461 B12R0.47 C=CCCCCC(=O)NCCC=C 240690a_100015191253_100011215552 [0,2,0,0,0,0|1,0,1]=4 6462 B12R0.47 C=CCCCCC(=O)NCCC=C 527a_100015191253_100011215552 [0,2,0,0,0,0|1,0,1]=4 6463 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,2,0,0,0,0|2,0,0]=4 6464 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,2,0,0,0,0|2,0,0]=4 6465 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,2,0,0,0,0|2,0,0]=4 6466 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,2,0,0,0,0|2,0,0]=4 6467 B12R0.47 C=CCCCCC(=O)NNCC=C 22a_100020588587_100011215552 [0,2,0,0,0,0|1,0,1]=4 6468 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 6469 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 6470 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 6471 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 6472 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [0,2,0,0,0,0|2,0,0]=4 6473 B12R0.47 C=CCCCNC(=O)CCCOC 11a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 6474 B12R0.47 C=CCCCNC(=O)CCCOC 1626a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 6475 B12R0.47 C=CCCCNC(=O)CCCOC 240690a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 6476 B12R0.47 C=CCCCNC(=O)CCCOC 527a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 6477 B12R0.47 C=CCCCNC(=O)CCCSC 11a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 6478 B12R0.47 C=CCCCNC(=O)CCCSC 1626a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 6479 B12R0.47 C=CCCCNC(=O)CCCSC 240690a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 6480 B12R0.47 C=CCCCNC(=O)CCCSC 527a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 6481 B12R0.47 C=CCCCNC(=O)CCOCC 11a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 6482 B12R0.47 C=CCCCNC(=O)CCOCC 1626a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 6483 B12R0.47 C=CCCCNC(=O)CCOCC 240690a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 6484 B12R0.47 C=CCCCNC(=O)CCOCC 527a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 6485 B12R0.47 C=CCCCNC(=O)CCSCC 11a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 6486 B12R0.47 C=CCCCNC(=O)CCSCC 1626a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 6487 B12R0.47 C=CCCCNC(=O)CCSCC 240690a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 6488 B12R0.47 C=CCCCNC(=O)CCSCC 527a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 6489 B12R0.47 C=CCCCNC(=O)COCCC 11a_100000700776_100000745993 [0,2,0,0,0,0|2,0,0]=4 6490 B12R0.47 C=CCCCNC(=O)COCCC 1626a_100000700776_100000745993 [0,2,0,0,0,0|2,0,0]=4 6491 B12R0.47 C=CCCCNC(=O)COCCC 240690a_100000700776_100000745993 [0,2,0,0,0,0|2,0,0]=4 6492 B12R0.47 C=CCCCNC(=O)COCCC 527a_100000700776_100000745993 [0,2,0,0,0,0|2,0,0]=4 6493 B12R0.47 C=CCCCNC(=O)CSCCC 11a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 6494 B12R0.47 C=CCCCNC(=O)CSCCC 1626a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 6495 B12R0.47 C=CCCCNC(=O)CSCCC 240690a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 6496 B12R0.47 C=CCCCNC(=O)CSCCC 527a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 6497 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 6498 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 6499 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 6500 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 6501 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 6502 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 6503 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 6504 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 6505 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 6506 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 6507 B12R0.47 C=CCCNC(=O)C/C=C/CCC 11a_100015191253_200016266809 [0,2,0,0,0,0|1,0,1]=4 6508 B12R0.47 C=CCCNC(=O)C/C=C/CCC 1626a_100015191253_200016266809 [0,2,0,0,0,0|1,0,1]=4 6509 B12R0.47 C=CCCNC(=O)C/C=C/CCC 240690a_100015191253_200016266809 [0,2,0,0,0,0|1,0,1]=4 6510 B12R0.47 C=CCCNC(=O)C/C=C/CCC 527a_100015191253_200016266809 [0,2,0,0,0,0|1,0,1]=4 6511 B12R0.47 C=CCCNC(=O)C=CCCCC 11a_100015191253_100016266645 [0,2,0,0,0,0|1,0,1]=4 6512 B12R0.47 C=CCCNC(=O)C=CCCCC 1626a_100015191253_100016266645 [0,2,0,0,0,0|1,0,1]=4 6513 B12R0.47 C=CCCNC(=O)C=CCCCC 240690a_100015191253_100016266645 [0,2,0,0,0,0|1,0,1]=4 6514 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 6515 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 6516 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 6517 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,2,0,0,0,0|1,0,0]=3 6518 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,2,0,0,0,0|1,0,0]=3 6519 B12R0.47 C=CCCNC(=O)CCOCCO 1626a_100015191253_100011229844 [0,2,0,0,0,0|2,0,0]=4 6520 B12R0.47 C=CCCNC(=O)CCOCCO 240690a_100015191253_100011229844 [0,2,0,0,0,0|2,0,0]=4 6521 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [0,2,0,0,0,0|1,0,0]=3 6522 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [0,2,0,0,0,0|1,0,0]=3 6523 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [0,2,0,0,0,0|1,0,0]=3 6524 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [0,2,0,0,0,0|1,0,0]=3 6525 B12R0.47 C=CCCNC(=O)COCCOC 11a_100015191253_100000211095 [0,2,0,0,0,0|2,0,0]=4 6526 B12R0.47 C=CCCNC(=O)COCCOC 1626a_100015191253_100000211095 [0,2,0,0,0,0|2,0,0]=4 6527 B12R0.47 C=CCCNC(=O)COCCOC 240690a_100015191253_100000211095 [0,2,0,0,0,0|2,0,0]=4 6528 B12R0.47 C=CCCNC(=O)COCCOC 527a_100015191253_100000211095 [0,2,0,0,0,0|2,0,0]=4 6529 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [0,2,0,0,0,0|1,0,0]=3 6530 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [0,2,0,0,0,0|1,0,0]=3 6531 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [0,2,0,0,0,0|1,0,0]=3 6532 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [0,2,0,0,0,0|1,0,0]=3 6533 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,2,0,0,0,0|1,0,0]=3 6534 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,2,0,0,0,0|1,0,0]=3 6535 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,2,0,0,0,0|1,0,0]=3 6536 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,2,0,0,0,0|1,0,0]=3 6537 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,2,0,0,0,0|1,0,0]=3 6538 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,2,0,0,0,0|1,0,0]=3 6539 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100000750430_100015191253 [0,2,0,0,0,0|2,0,0]=4 6540 B12R0.47 C=CCCNC(=O)NCCCCO 2708a_100015191253_100000750430 [0,2,0,0,0,0|2,0,0]=4 6541 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100000750430_100015191253 [0,2,0,0,0,0|2,0,0]=4 6542 B12R0.47 C=CCCNC(=O)NCCCCO 273464a_100015191253_100000750430 [0,2,0,0,0,0|2,0,0]=4 6543 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100000750430_100015191253 [0,2,0,0,0,0|2,0,0]=4 6544 B12R0.47 C=CCCNC(=O)NCCCCO 512a_100015191253_100000750430 [0,2,0,0,0,0|2,0,0]=4 6545 B12R0.47 C=CCCNC(=O)NCCCOC 2708a_100015191253_100150723488 [0,2,0,0,0,0|2,0,0]=4 6546 B12R0.47 C=CCCNC(=O)NCCCOC 2708a_100150723488_100015191253 [0,2,0,0,0,0|2,0,0]=4 6547 B12R0.47 C=CCCNC(=O)NCCCOC 273464a_100015191253_100150723488 [0,2,0,0,0,0|2,0,0]=4 6548 B12R0.47 C=CCCNC(=O)NCCCOC 273464a_100150723488_100015191253 [0,2,0,0,0,0|2,0,0]=4 6549 B12R0.47 C=CCCNC(=O)NCCCOC 512a_100015191253_100150723488 [0,2,0,0,0,0|2,0,0]=4 6550 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100000749238_100015191253 [0,2,0,0,0,0|2,0,0]=4 6551 B12R0.47 C=CCCNC(=O)NCCCSC 2708a_100015191253_100000749238 [0,2,0,0,0,0|2,0,0]=4 6552 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100000749238_100015191253 [0,2,0,0,0,0|2,0,0]=4 6553 B12R0.47 C=CCCNC(=O)NCCCSC 273464a_100015191253_100000749238 [0,2,0,0,0,0|2,0,0]=4 6554 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100000749238_100015191253 [0,2,0,0,0,0|2,0,0]=4 6555 B12R0.47 C=CCCNC(=O)NCCCSC 512a_100015191253_100000749238 [0,2,0,0,0,0|2,0,0]=4 6556 B12R0.47 C=CCCNC(=O)NCCOCC 2708a_100011200944_100015191253 [0,2,0,0,0,0|2,0,0]=4 6557 B12R0.47 C=CCCNC(=O)NCCOCC 2708a_100015191253_100011200944 [0,2,0,0,0,0|2,0,0]=4 6558 B12R0.47 C=CCCNC(=O)NCCOCC 273464a_100015191253_102516460346 [0,2,0,0,0,0|2,0,0]=4 6559 B12R0.47 C=CCCNC(=O)NCCOCC 273464a_102516460346_100015191253 [0,2,0,0,0,0|2,0,0]=4 6560 B12R0.47 C=CCCNC(=O)NCCOCC 512a_100011200944_100015191253 [0,2,0,0,0,0|2,0,0]=4 6561 B12R0.47 C=CCCNC(=O)NCCOCC 512a_100015191253_100011200944 [0,2,0,0,0,0|2,0,0]=4 6562 B12R0.47 C=CCCNC(=O)NCCSCC 2708a_100000106463_100015191253 [0,2,0,0,0,0|2,0,0]=4 6563 B12R0.47 C=CCCNC(=O)NCCSCC 2708a_100015191253_100000106463 [0,2,0,0,0,0|2,0,0]=4 6564 B12R0.47 C=CCCNC(=O)NCCSCC 273464a_100000106463_100015191253 [0,2,0,0,0,0|2,0,0]=4 6565 B12R0.47 C=CCCNC(=O)NCCSCC 273464a_100015191253_100000106463 [0,2,0,0,0,0|2,0,0]=4 6566 B12R0.47 C=CCCNC(=O)NCCSCC 512a_100000106463_100015191253 [0,2,0,0,0,0|2,0,0]=4 6567 B12R0.47 C=CCCNC(=O)NCCSCC 512a_100015191253_100000106463 [0,2,0,0,0,0|2,0,0]=4 6568 B12R0.47 C=CCCNC(=O)NNCCCC 273464a_100015191253_100025702795 [0,2,0,0,0,0|2,0,0]=4 6569 B12R0.47 C=CCCNC(=O)NNCCCC 512a_100015191253_100025702795 [0,2,0,0,0,0|2,0,0]=4 6570 B12R0.47 C=CCCNC(=O)NNCCCC 512a_100025702795_100015191253 [0,2,0,0,0,0|2,0,0]=4 6571 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,2,0,0,0,0|1,0,0]=3 6572 B12R0.47 C=CCCNCC(=O)NCCCC 2230a_100015191253_100000182744 [0,2,0,0,0,0|2,0,0]=4 6573 B12R0.47 C=CCCNCC(=O)OCCCC 2230a_100015191253_100000211628 [0,2,0,0,0,0|2,0,0]=4 6574 B12R0.47 C=CCCOC(C)CCCCCC 34a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 6575 B12R0.47 C=CCCOC(C)CCCCCC 34a_100011205117_100011215978 [0,2,0,0,0,0|1,0,1]=4 6576 B12R0.47 C=CCCOC(C)CCCCCC 7a_100000210265_100000754431 [0,2,0,0,0,0|1,0,1]=4 6577 B12R0.47 C=CCCOC(C)COCCCC 34a_100011217071_100000754431 [0,2,0,0,0,0|1,0,1]=4 6578 B12R0.47 C=CCCOC(C)COCCCC 7a_100011217071_100000754431 [0,2,0,0,0,0|1,0,1]=4 6579 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,2,0,0,0,0|0,0,0]=2 6580 B12R0.47 C=CCCOCC(=O)NCCCC 34a_100011205117_100000182744 [0,2,0,0,0,0|1,0,0]=3 6581 B12R0.47 C=CCCOCC(=O)NCCOC 34a_100011205117_100000183275 [0,2,0,0,0,0|2,0,0]=4 6582 B12R0.47 C=CCCOCC(=O)OCCCC 34a_100011205117_100000211628 [0,2,0,0,0,0|1,0,0]=3 6583 B12R0.47 C=CCCOCC(=O)OCCOC 34a_100011205117_200000040189 [0,2,0,0,0,0|2,0,0]=4 6584 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,2,0,0,0,0|0,1,0]=3 6585 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,2,0,0,0,0|0,1,0]=3 6586 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000182744_100000754431 [0,2,0,0,0,0|1,1,0]=4 6587 B12R0.47 C=CCCSCC(=O)NCCCC 62a_100000754431_100000182744 [0,2,0,0,0,0|1,1,0]=4 6588 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000211628_100000754431 [0,2,0,0,0,0|1,1,0]=4 6589 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000754431_100000211628 [0,2,0,0,0,0|1,1,0]=4 6590 B12R0.47 C=CCNCC(=O)NCCCCC 2230a_100020586998_100000230301 [0,2,0,0,0,0|1,0,0]=3 6591 B12R0.47 C=CCNCC(=O)NCCCOC 2230a_100020586998_100000183178 [0,2,0,0,0,0|2,0,0]=4 6592 B12R0.47 C=CCNCC(=O)OCCOCC 2230a_100020586998_200000101388 [0,2,0,0,0,0|2,0,0]=4 6593 B12R0.47 C=CCNNC(=O)C/C=C/CCC 22a_100020588587_200016266809 [0,2,0,0,0,0|1,0,1]=4 6594 B12R0.47 C=CCNNC(=O)C=CCCCC 22a_100020588587_100016266645 [0,2,0,0,0,0|1,0,1]=4 6595 B12R0.47 C=CCNNC(=O)CCCCCC 22a_100020588587_100102632555 [0,2,0,0,0,0|1,0,0]=3 6596 B12R0.47 C=CCNNC(=O)CCCCCO 22a_100020588587_100102619762 [0,2,0,0,0,0|1,0,0]=3 6597 B12R0.47 C=CCNNC(=O)CCOCCO 22a_100020588587_100011229844 [0,2,0,0,0,0|2,0,0]=4 6598 B12R0.47 C=CCNNC(=O)COCCCC 22a_100020588587_100000757543 [0,2,0,0,0,0|1,0,0]=3 6599 B12R0.47 C=CCNNC(=O)COCCOC 22a_100020588587_100000211095 [0,2,0,0,0,0|2,0,0]=4 6600 B12R0.47 C=CCNNC(=O)CSCCCC 22a_100020588587_100000191162 [0,2,0,0,0,0|1,0,0]=3 6601 B12R0.47 C=CCNNC(=O)NCCCCC 273464a_100000209983_100020588587 [0,2,0,0,0,0|1,0,0]=3 6602 B12R0.47 C=CCNNC(=O)NCCCCC 512a_100000209983_100020588587 [0,2,0,0,0,0|1,0,0]=3 6603 B12R0.47 C=CCNNC(=O)NCCCCC 512a_100020588587_100000209983 [0,2,0,0,0,0|1,0,0]=3 6604 B12R0.47 C=CCNNC(=O)NCCCCO 273464a_100000750430_100020588587 [0,2,0,0,0,0|2,0,0]=4 6605 B12R0.47 C=CCNNC(=O)NCCCCO 512a_100000750430_100020588587 [0,2,0,0,0,0|2,0,0]=4 6606 B12R0.47 C=CCNNC(=O)NCCCCO 512a_100020588587_100000750430 [0,2,0,0,0,0|2,0,0]=4 6607 B12R0.47 C=CCNNC(=O)NCCCOC 273464a_100150723488_100020588587 [0,2,0,0,0,0|2,0,0]=4 6608 B12R0.47 C=CCNNC(=O)NCCCOC 512a_100020588587_100150723488 [0,2,0,0,0,0|2,0,0]=4 6609 B12R0.47 C=CCNNC(=O)NCCCSC 273464a_100000749238_100020588587 [0,2,0,0,0,0|2,0,0]=4 6610 B12R0.47 C=CCNNC(=O)NCCCSC 512a_100000749238_100020588587 [0,2,0,0,0,0|2,0,0]=4 6611 B12R0.47 C=CCNNC(=O)NCCCSC 512a_100020588587_100000749238 [0,2,0,0,0,0|2,0,0]=4 6612 B12R0.47 C=CCNNC(=O)NCCOCC 273464a_102516460346_100020588587 [0,2,0,0,0,0|2,0,0]=4 6613 B12R0.47 C=CCNNC(=O)NCCOCC 512a_100011200944_100020588587 [0,2,0,0,0,0|2,0,0]=4 6614 B12R0.47 C=CCNNC(=O)NCCOCC 512a_100020588587_100011200944 [0,2,0,0,0,0|2,0,0]=4 6615 B12R0.47 C=CCNNC(=O)NCCSCC 273464a_100000106463_100020588587 [0,2,0,0,0,0|2,0,0]=4 6616 B12R0.47 C=CCNNC(=O)NCCSCC 512a_100000106463_100020588587 [0,2,0,0,0,0|2,0,0]=4 6617 B12R0.47 C=CCNNC(=O)NCCSCC 512a_100020588587_100000106463 [0,2,0,0,0,0|2,0,0]=4 6618 B12R0.47 C=CCNNC(=O)NNCCCC 512a_100020588587_100025702795 [0,2,0,0,0,0|2,0,0]=4 6619 B12R0.47 C=CCNNC(=O)NNCCCC 512a_100025702795_100020588587 [0,2,0,0,0,0|2,0,0]=4 6620 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,2,0,0,0,0|0,0,0]=2 6621 B12R0.47 C=CCOCC(=O)NCCCOC 34a_200000210373_100000183178 [0,2,0,0,0,0|1,0,0]=3 6622 B12R0.47 C=CCOCC(=O)OCCOCC 34a_200000210373_200000101388 [0,2,0,0,0,0|1,0,0]=3 6623 B12R0.47 C=CCOCCC(=O)C/C=C\CC 1458a_200011217002_100103147603 [0,2,0,0,0,0|0,0,2]=4 6624 B12R0.47 C=CCOCCC(=O)CC#CCC 1458a_200011217002_100009813939 [0,2,0,0,0,0|0,0,2]=4 6625 B12R0.47 C=CCOCCC(=O)CCCC#N 1458a_200011217002_100000211468 [0,2,0,0,0,0|1,0,1]=4 6626 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,2,0,0,0,0|0,0,0]=2 6627 B12R0.47 C=CCOCCC(=O)CCCCF 1458a_200011217002_100000729493 [0,2,0,0,0,0|1,0,0]=3 6628 B12R0.47 C=CCOCCC(=O)CCCCO 1458a_200011217002_100000210776 [0,2,0,0,0,0|1,0,0]=3 6629 B12R0.47 C=CCOCCC(=O)CCCOC 1458a_200011217002_100000740836 [0,2,0,0,0,0|1,0,0]=3 6630 B12R0.47 C=CCOCCC(=O)CCOCC 1458a_200011217002_100011215890 [0,2,0,0,0,0|1,0,0]=3 6631 B12R0.47 C=CCOCCC(=O)CCSCC 1458a_200011217002_100000757381 [0,2,0,0,0,0|1,0,0]=3 6632 B12R0.47 C=CCOCCC(=O)NCCCC 11a_100000102301_200011217002 [0,2,0,0,0,0|1,0,0]=3 6633 B12R0.47 C=CCOCCC(=O)NCCCC 1626a_100000102301_200011217002 [0,2,0,0,0,0|1,0,0]=3 6634 B12R0.47 C=CCOCCC(=O)NCCCC 240690a_100000102301_200011217002 [0,2,0,0,0,0|1,0,0]=3 6635 B12R0.47 C=CCOCCC(=O)NCCCC 527a_100000102301_200011217002 [0,2,0,0,0,0|1,0,0]=3 6636 B12R0.47 C=CCOCCC(=O)NCCCF 11a_100015189416_200011217002 [0,2,0,0,0,0|2,0,0]=4 6637 B12R0.47 C=CCOCCC(=O)NCCCF 1626a_100015189416_200011217002 [0,2,0,0,0,0|2,0,0]=4 6638 B12R0.47 C=CCOCCC(=O)NCCCF 240690a_100015189416_200011217002 [0,2,0,0,0,0|2,0,0]=4 6639 B12R0.47 C=CCOCCC(=O)NCCCF 527a_100015189416_200011217002 [0,2,0,0,0,0|2,0,0]=4 6640 B12R0.47 C=CCOCCC(=O)NCCCO 240690a_100000182051_200011217002 [0,2,0,0,0,0|2,0,0]=4 6641 B12R0.47 C=CCOCCC(=O)NCCCO 527a_100000182051_200011217002 [0,2,0,0,0,0|2,0,0]=4 6642 B12R0.47 C=CCOCCC(=O)NCCOC 1626a_100000209980_200011217002 [0,2,0,0,0,0|2,0,0]=4 6643 B12R0.47 C=CCOCCC(=O)NCCOC 240690a_100000209980_200011217002 [0,2,0,0,0,0|2,0,0]=4 6644 B12R0.47 C=CCOCCC(=O)NCCOC 527a_100000209980_200011217002 [0,2,0,0,0,0|2,0,0]=4 6645 B12R0.47 C=CCOCCC(=O)NCCSC 11a_100020590264_200011217002 [0,2,0,0,0,0|2,0,0]=4 6646 B12R0.47 C=CCOCCC(=O)NCCSC 1626a_100020590264_200011217002 [0,2,0,0,0,0|2,0,0]=4 6647 B12R0.47 C=CCOCCC(=O)NCCSC 240690a_100020590264_200011217002 [0,2,0,0,0,0|2,0,0]=4 6648 B12R0.47 C=CCOCCC(=O)NCCSC 527a_100020590264_200011217002 [0,2,0,0,0,0|2,0,0]=4 6649 B12R0.47 C=CCOCCC(=O)NNCCC 22a_100000740057_200011217002 [0,2,0,0,0,0|2,0,0]=4 6650 B12R0.47 C=CCSCC(=O)CC/C=C\CC 1458a_100000230395_100015370543 [0,2,0,0,0,0|0,1,1]=4 6651 B12R0.47 C=CCSCC(=O)CCCCC#N 1458a_100000230395_100000211819 [0,2,0,0,0,0|0,1,1]=4 6652 B12R0.47 C=CCSCC(=O)CCCCCC 1458a_100000230395_100000210757 [0,2,0,0,0,0|0,1,0]=3 6653 B12R0.47 C=CCSCC(=O)CCCCCF 1458a_100000230395_100000729378 [0,2,0,0,0,0|0,1,0]=3 6654 B12R0.47 C=CCSCC(=O)CCCCCO 1458a_100000230395_100000746330 [0,2,0,0,0,0|0,1,0]=3 6655 B12R0.47 C=CCSCC(=O)CCCCOC 1458a_100000230395_100000755781 [0,2,0,0,0,0|0,1,0]=3 6656 B12R0.47 C=CCSCC(=O)CCCOCC 1458a_100000230395_100012232248 [0,2,0,0,0,0|0,1,0]=3 6657 B12R0.47 C=CCSCC(=O)CCOCCC 1458a_100000230395_100011215938 [0,2,0,0,0,0|0,1,0]=3 6658 B12R0.47 C=CCSCC(=O)CCOCCO 1458a_100000230395_100011215305 [0,2,0,0,0,0|1,1,0]=4 6659 B12R0.47 C=CCSCC(=O)COCCCC 1458a_100000230395_100011995733 [0,2,0,0,0,0|0,1,0]=3 6660 B12R0.47 C=CCSCC(=O)NCCCCC 11a_100000209983_100000230395 [0,2,0,0,0,0|0,1,0]=3 6661 B12R0.47 C=CCSCC(=O)NCCCCC 1626a_100000209983_100000230395 [0,2,0,0,0,0|0,1,0]=3 6662 B12R0.47 C=CCSCC(=O)NCCCCC 240690a_100000209983_100000230395 [0,2,0,0,0,0|0,1,0]=3 6663 B12R0.47 C=CCSCC(=O)NCCCCC 527a_100000209983_100000230395 [0,2,0,0,0,0|0,1,0]=3 6664 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000210623_100000230301 [0,2,0,0,0,0|0,1,0]=3 6665 B12R0.47 C=CCSCC(=O)NCCCCC 62a_100000230301_100000210623 [0,2,0,0,0,0|0,1,0]=3 6666 B12R0.47 C=CCSCC(=O)NCCCCO 240690a_100000750430_100000230395 [0,2,0,0,0,0|1,1,0]=4 6667 B12R0.47 C=CCSCC(=O)NCCCCO 527a_100000750430_100000230395 [0,2,0,0,0,0|1,1,0]=4 6668 B12R0.47 C=CCSCC(=O)NCCCOC 1626a_100150723488_100000230395 [0,2,0,0,0,0|1,1,0]=4 6669 B12R0.47 C=CCSCC(=O)NCCCOC 240690a_100150723488_100000230395 [0,2,0,0,0,0|1,1,0]=4 6670 B12R0.47 C=CCSCC(=O)NCCCOC 527a_100150723488_100000230395 [0,2,0,0,0,0|1,1,0]=4 6671 B12R0.47 C=CCSCC(=O)NCCCOC 62a_100000183178_100000210623 [0,2,0,0,0,0|1,1,0]=4 6672 B12R0.47 C=CCSCC(=O)NCCCSC 11a_100000749238_100000230395 [0,2,0,0,0,0|1,1,0]=4 6673 B12R0.47 C=CCSCC(=O)NCCCSC 1626a_100000749238_100000230395 [0,2,0,0,0,0|1,1,0]=4 6674 B12R0.47 C=CCSCC(=O)NCCCSC 240690a_100000749238_100000230395 [0,2,0,0,0,0|1,1,0]=4 6675 B12R0.47 C=CCSCC(=O)NCCCSC 527a_100000749238_100000230395 [0,2,0,0,0,0|1,1,0]=4 6676 B12R0.47 C=CCSCC(=O)NCCOCC 11a_100011200944_100000230395 [0,2,0,0,0,0|1,1,0]=4 6677 B12R0.47 C=CCSCC(=O)NCCOCC 1626a_102516460346_100000230395 [0,2,0,0,0,0|1,1,0]=4 6678 B12R0.47 C=CCSCC(=O)NCCOCC 240690a_100011200944_100000230395 [0,2,0,0,0,0|1,1,0]=4 6679 B12R0.47 C=CCSCC(=O)NCCOCC 527a_100011200944_100000230395 [0,2,0,0,0,0|1,1,0]=4 6680 B12R0.47 C=CCSCC(=O)NCCSCC 11a_100000106463_100000230395 [0,2,0,0,0,0|1,1,0]=4 6681 B12R0.47 C=CCSCC(=O)NCCSCC 1626a_100000106463_100000230395 [0,2,0,0,0,0|1,1,0]=4 6682 B12R0.47 C=CCSCC(=O)NCCSCC 240690a_100000106463_100000230395 [0,2,0,0,0,0|1,1,0]=4 6683 B12R0.47 C=CCSCC(=O)NCCSCC 527a_100000106463_100000230395 [0,2,0,0,0,0|1,1,0]=4 6684 B12R0.47 C=CCSCC(=O)NNCCCC 22a_100025702795_100000230395 [0,2,0,0,0,0|1,1,0]=4 6685 B12R0.47 C=CCSCC(=O)OCCOCC 62a_100000210623_200000101388 [0,2,0,0,0,0|1,1,0]=4 6686 B12R0.47 C=CCSCC(=O)OCCOCC 62a_200000101388_100000210623 [0,2,0,0,0,0|1,1,0]=4 6687 B12R0.47 C=COCCC(=O)C/C=C/CCC 1458a_200016266809_100000039644 [0,2,0,0,0,0|1,0,1]=4 6688 B12R0.47 C=COCCC(=O)C=CCCCC 1458a_100016266645_100000039644 [0,2,0,0,0,0|1,0,1]=4 6689 B12R0.47 C=COCCC(=O)CCCCCC 1458a_100102632555_100000039644 [0,2,0,0,0,0|1,0,0]=3 6690 B12R0.47 C=COCCC(=O)CCCCCO 1458a_100102619762_100000039644 [0,2,0,0,0,0|1,0,0]=3 6691 B12R0.47 C=COCCC(=O)CCOCCO 1458a_100011229844_100000039644 [0,2,0,0,0,0|2,0,0]=4 6692 B12R0.47 C=COCCC(=O)COCCCC 1458a_100000757543_100000039644 [0,2,0,0,0,0|1,0,0]=3 6693 B12R0.47 C=COCCC(=O)COCCOC 1458a_100000211095_100000039644 [0,2,0,0,0,0|2,0,0]=4 6694 B12R0.47 C=COCCC(=O)CSCCCC 1458a_100000191162_100000039644 [0,2,0,0,0,0|1,0,0]=3 6695 B12R0.47 C=COCCOC(C)CCCCC 34a_100000033082_200011218191 [0,2,0,0,0,0|1,0,1]=4 6696 B12R0.47 C=COCCOC(C)CCCCC 34a_100011215632_100000039644 [0,2,0,0,0,0|1,0,1]=4 6697 B12R0.47 C=COCCOC(C)CCCCC 7a_100011215632_100000039644 [0,2,0,0,0,0|1,0,1]=4 6698 B12R0.47 CC#CCOCC(=O)CCCCC 34a_100000761923_200012276598 [0,2,0,0,0,0|0,0,2]=4 6699 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,2,0,0,0,0|1,0,0]=3 6700 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,2,0,0,0,0|2,0,0]=4 6701 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [0,2,0,0,0,0|2,0,0]=4 6702 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [0,2,0,0,0,0|2,0,0]=4 6703 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,2,0,0,0,0|2,0,0]=4 6704 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [0,2,0,0,0,0|2,0,0]=4 6705 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,2,0,0,0,0|2,0,0]=4 6706 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [0,2,0,0,0,0|2,0,0]=4 6707 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [0,2,0,0,0,0|1,0,1]=4 6708 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [0,2,0,0,0,0|1,0,1]=4 6709 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [0,2,0,0,0,0|1,0,1]=4 6710 B12R0.47 CC=CCOC(C)CCCCCC 34a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 6711 B12R0.47 CC=CCOC(C)CCCCCC 7a_100000210265_100000070051 [0,2,0,0,0,0|1,0,1]=4 6712 B12R0.47 CC=CCOC(C)COCCCC 34a_100011217071_100000070051 [0,2,0,0,0,0|1,0,1]=4 6713 B12R0.47 CC=CCOC(C)COCCCC 7a_100011217071_100000070051 [0,2,0,0,0,0|1,0,1]=4 6714 B12R0.47 CC=CCSCC(=O)CCCCC 62a_100000070051_200012276598 [0,2,0,0,0,0|0,1,0]=3 6715 B12R0.47 CC=CCSCC(=O)CCCCC 62a_200012276598_100000070051 [0,2,0,0,0,0|0,1,0]=3 6716 B12R0.47 CC=CCSCC(=O)NCCCC 62a_100000070051_100000182744 [0,2,0,0,0,0|1,1,0]=4 6717 B12R0.47 CC=CCSCC(=O)NCCCC 62a_100000182744_100000070051 [0,2,0,0,0,0|1,1,0]=4 6718 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000070051_100000211628 [0,2,0,0,0,0|1,1,0]=4 6719 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000211628_100000070051 [0,2,0,0,0,0|1,1,0]=4 6720 B12R0.47 CCCCCC(=O)CCOCC#N 1458a_100000212188_200000047693 [0,2,0,0,0,0|1,0,1]=4 6721 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,2,0,0,0,0|0,0,2]=4 6722 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,2,0,0,0,0|1,0,1]=4 6723 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,2,0,0,0,0|1,0,1]=4 6724 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,2,0,0,0,0|0,0,2]=4 6725 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,2,0,0,0,0|0,0,2]=4 6726 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,2,0,0,0,0|0,0,2]=4 6727 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,2,0,0,0,0|0,0,2]=4 6728 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,2,0,0,0,0|0,0,2]=4 6729 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,2,0,0,0,0|0,0,2]=4 6730 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,2,0,0,0,0|0,0,2]=4 6731 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,2,0,0,0,0|0,0,2]=4 6732 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,2,0,0,0,0|0,0,2]=4 6733 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,2,0,0,0,0|0,0,2]=4 6734 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [0,2,0,0,0,0|1,0,1]=4 6735 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [0,2,0,0,0,0|0,0,2]=4 6736 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [0,2,0,0,0,0|0,0,2]=4 6737 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,2,0,0,0,0|0,0,2]=4 6738 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,2,0,0,0,0|1,0,1]=4 6739 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,2,0,0,0,0|1,0,1]=4 6740 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,2,0,0,0,0|0,0,2]=4 6741 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,2,0,0,0,0|0,0,2]=4 6742 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,2,0,0,0,0|0,0,2]=4 6743 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,2,0,0,0,0|0,0,2]=4 6744 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,2,0,0,0,0|0,0,2]=4 6745 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,2,0,0,0,0|1,0,1]=4 6746 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,2,0,0,0,0|1,0,1]=4 6747 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,2,0,0,0,0|1,0,1]=4 6748 B12R0.47 CCCCCNC(=O)CSCC=O 62a_100000230301_200015260668 [0,2,0,0,0,0|1,1,0]=4 6749 B12R0.47 CCCCCNC(=O)CSCC=O 62a_200015260668_100000230301 [0,2,0,0,0,0|1,1,0]=4 6750 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,2,0,0,0,0|0,0,2]=4 6751 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,2,0,0,0,0|0,0,2]=4 6752 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,2,0,0,0,0|0,0,2]=4 6753 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,2,0,0,0,0|0,0,2]=4 6754 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,2,0,0,0,0|0,0,2]=4 6755 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,2,0,0,0,0|0,0,2]=4 6756 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,2,0,0,0,0|0,0,2]=4 6757 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,2,0,0,0,0|1,0,1]=4 6758 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,2,0,0,0,0|0,0,2]=4 6759 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,2,0,0,0,0|0,0,2]=4 6760 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,2,0,0,0,0|0,0,2]=4 6761 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,2,0,0,0,0|0,0,2]=4 6762 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,2,0,0,0,0|0,0,2]=4 6763 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,2,0,0,0,0|0,0,2]=4 6764 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,2,0,0,0,0|0,0,2]=4 6765 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,2,0,0,0,0|0,0,2]=4 6766 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,2,0,0,0,0|0,0,2]=4 6767 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,2,0,0,0,0|0,0,2]=4 6768 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,2,0,0,0,0|0,0,2]=4 6769 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,2,0,0,0,0|1,0,1]=4 6770 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,2,0,0,0,0|1,0,1]=4 6771 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,2,0,0,0,0|1,0,1]=4 6772 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,2,0,0,0,0|1,0,1]=4 6773 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,2,0,0,0,0|1,0,1]=4 6774 B12R0.95 C=CC=CC(=O)CCCCC(=O)C 1458a_100016291481_100000735457 [0,2,0,0,0,0|1,0,1]=4 6775 B12R0.95 C=CC=CC(=O)CCCCC(C)C 1458a_100016291481_100011216152 [0,2,0,0,0,0|1,0,1]=4 6776 B12R0.95 C=CC=CC(=O)NCCCC(C)C 1626a_200000737386_100016291481 [0,2,0,0,0,0|1,0,1]=4 6777 B12R0.95 C=CCCC(=O)CCCCB(O)O 1458a_100000749702_200009817182 [0,2,0,0,0,0|2,0,0]=4 6778 B12R0.95 C=CCCC(=O)CCCCC(=O)C 1458a_100000749702_100000735457 [0,2,0,0,0,0|1,0,0]=3 6779 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100000749702_100011216152 [0,2,0,0,0,0|1,0,0]=3 6780 B12R0.95 C=CCCC(=O)CCCCC(C)C 1458a_100011933920_100000754431 [0,2,0,0,0,0|1,0,0]=3 6781 B12R0.95 C=CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000754431 [0,2,0,0,0,0|1,0,1]=4 6782 B12R0.95 C=CCCC(=O)CCCOC(=O)C 1458a_100000749702_100000042594 [0,2,0,0,0,0|1,0,1]=4 6783 B12R0.95 C=CCCC(=O)CCCOC(=S)C 1458a_100000749702_200135323944 [0,2,0,0,0,0|1,0,1]=4 6784 B12R0.95 C=CCCC(=O)CCCSC(=O)C 1458a_100000749702_100000038929 [0,2,0,0,0,0|1,0,1]=4 6785 B12R0.95 C=CCCC(=O)CCOCC(F)F 1458a_100000749702_200012177212 [0,2,0,0,0,0|2,0,0]=4 6786 B12R0.95 C=CCCC(=O)NCCCC(C)C 11a_200000737386_100000749702 [0,2,0,0,0,0|1,0,0]=3 6787 B12R0.95 C=CCCC(=O)NCCCC(C)C 1626a_200000737386_100000749702 [0,2,0,0,0,0|1,0,0]=3 6788 B12R0.95 C=CCCC(=O)NCCCC(C)C 240690a_200000737386_100000749702 [0,2,0,0,0,0|1,0,0]=3 6789 B12R0.95 C=CCCC(=O)NCCCC(C)C 527a_200000737386_100000749702 [0,2,0,0,0,0|1,0,0]=3 6790 B12R0.95 C=CCCC(=O)NCCCN(C)C 240690a_102531767803_100000749702 [0,2,0,0,0,0|2,0,0]=4 6791 B12R0.95 C=CCCC(=O)NCCCN(C)C 527a_102531767803_100000749702 [0,2,0,0,0,0|2,0,0]=4 6792 B12R0.95 C=CCCC(=O)NCCCS(=O)C 11a_200000753449_100000749702 [0,2,0,0,0,0|2,0,0]=4 6793 B12R0.95 C=CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000749702 [0,2,0,0,0,0|2,0,0]=4 6794 B12R0.95 C=CCCC(=O)NCCCS(=O)C 527a_200000753449_100000749702 [0,2,0,0,0,0|2,0,0]=4 6795 B12R0.95 C=CCCC(=O)NCCOC(C)C 11a_100000701111_100000749702 [0,2,0,0,0,0|2,0,0]=4 6796 B12R0.95 C=CCCC(=O)NCCOC(C)C 1626a_100000701111_100000749702 [0,2,0,0,0,0|2,0,0]=4 6797 B12R0.95 C=CCCC(=O)NCCOC(C)C 240690a_100000701111_100000749702 [0,2,0,0,0,0|2,0,0]=4 6798 B12R0.95 C=CCCC(=O)NCCOC(C)C 527a_100000701111_100000749702 [0,2,0,0,0,0|2,0,0]=4 6799 B12R0.95 C=CCCC(=O)NCCSC(C)C 11a_100000731138_100000749702 [0,2,0,0,0,0|2,0,0]=4 6800 B12R0.95 C=CCCC(=O)NCCSC(C)C 1626a_100000731138_100000749702 [0,2,0,0,0,0|2,0,0]=4 6801 B12R0.95 C=CCCC(=O)NCCSC(C)C 240690a_100000731138_100000749702 [0,2,0,0,0,0|2,0,0]=4 6802 B12R0.95 C=CCCC(=O)NCCSC(C)C 527a_100000731138_100000749702 [0,2,0,0,0,0|2,0,0]=4 6803 B12R0.95 C=CCNC(=O)CCCCC(C)C 1626a_100020586998_100011933920 [0,2,0,0,0,0|1,0,0]=3 6804 B12R0.95 C=CCNC(=O)CCCCC(C)C 240690a_100020586998_100011933920 [0,2,0,0,0,0|1,0,0]=3 6805 B12R0.95 C=CCNC(=O)CCCCC(C)C 527a_100020586998_100011933920 [0,2,0,0,0,0|1,0,0]=3 6806 B12R0.95 C=CCNC(=O)CCCCN(C)C 240690a_100020586998_100000751710 [0,2,0,0,0,0|1,0,0]=3 6807 B12R0.95 C=CCNC(=O)CCCCN(C)C 527a_100020586998_100000751710 [0,2,0,0,0,0|1,0,0]=3 6808 B12R0.95 C=CCNC(=O)CCCNC(=O)C 1626a_100020586998_100000194741 [0,2,0,0,0,0|1,0,1]=4 6809 B12R0.95 C=CCNC(=O)CCCNC(=O)C 240690a_100020586998_100000194741 [0,2,0,0,0,0|1,0,1]=4 6810 B12R0.95 C=CCNC(=O)CCCNC(=O)C 527a_100020586998_100000194741 [0,2,0,0,0,0|1,0,1]=4 6811 B12R0.95 C=CCNC(=O)CCNCC(C)C 2230a_100000210953_100011222895 [0,2,0,0,0,0|1,0,0]=3 6812 B12R0.95 C=CCNC(=O)CCNCC(C)O 2230a_100000210904_100011222895 [0,2,0,0,0,0|1,0,0]=3 6813 B12R0.95 C=CCNC(=O)CCSCC(=C)C 62a_100000748629_100011222895 [0,2,0,0,0,0|1,0,1]=4 6814 B12R0.95 C=CCNC(=O)CCSCC(=C)C 62a_100011222895_100000211660 [0,2,0,0,0,0|1,0,1]=4 6815 B12R0.95 C=CCNC(=O)CCSCC(C)C 62a_100000210624_100011222895 [0,2,0,0,0,0|1,0,0]=3 6816 B12R0.95 C=CCNC(=O)CCSCC(C)C 62a_100011222895_100000210760 [0,2,0,0,0,0|1,0,0]=3 6817 B12R0.95 C=CCNC(=O)CCSCC(C)O 62a_100011218427_100011222895 [0,2,0,0,0,0|1,0,0]=3 6818 B12R0.95 C=CCNC(=O)CCSCC(C)O 62a_100011222895_100011218427 [0,2,0,0,0,0|1,0,0]=3 6819 B12R0.95 C=CCNC(=O)CCSCC(F)F 62a_100011222895_100011934356 [0,2,0,0,0,0|2,0,0]=4 6820 B12R0.95 C=CCNC(=O)CCSCC(F)F 62a_100011934356_100011222895 [0,2,0,0,0,0|2,0,0]=4 6821 B12R0.95 C=CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100011222895 [0,2,0,0,0,0|1,0,0]=3 6822 B12R0.95 C=CCNC(=O)CCSC[C@@H](C)O 62a_100011222895_100009817552 [0,2,0,0,0,0|1,0,0]=3 6823 B12R0.95 C=CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183597 [0,2,0,0,0,0|1,0,0]=3 6824 B12R0.95 C=CCNC(=O)COCCC(=O)C 7a_100000759926_100000183597 [0,2,0,0,0,0|1,0,1]=4 6825 B12R0.95 C=CCNC(=O)COCCC(C)C 7a_100000210254_100000183597 [0,2,0,0,0,0|1,0,0]=3 6826 B12R0.95 C=CCNC(=O)CSCCC(=C)C 62a_100000183597_100000730704 [0,2,0,0,0,0|1,0,1]=4 6827 B12R0.95 C=CCNC(=O)CSCCC(=C)C 62a_100000730704_100000183597 [0,2,0,0,0,0|1,0,1]=4 6828 B12R0.95 C=CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183597 [0,2,0,0,0,0|1,0,1]=4 6829 B12R0.95 C=CCNC(=O)CSCCC(=O)C 62a_100000183597_100000053229 [0,2,0,0,0,0|1,0,1]=4 6830 B12R0.95 C=CCNC(=O)CSCCC(C)C 62a_100000183597_100000210312 [0,2,0,0,0,0|1,0,0]=3 6831 B12R0.95 C=CCNC(=O)CSCCC(C)C 62a_100000210312_100000183597 [0,2,0,0,0,0|1,0,0]=3 6832 B12R0.95 C=CCNC(=O)CSCCC(C)O 62a_100000183597_100012276601 [0,2,0,0,0,0|1,0,0]=3 6833 B12R0.95 C=CCNC(=O)CSCCC(C)O 62a_100012276601_100000183597 [0,2,0,0,0,0|1,0,0]=3 6834 B12R0.95 C=CCNC(=O)CSCCN(C)C 62a_100000183597_100000755713 [0,2,0,0,0,0|2,0,0]=4 6835 B12R0.95 C=CCNC(=O)CSCOC(C)C 62a_100000183597_100000709892 [0,2,0,0,0,0|2,0,0]=4 6836 B12R0.95 C=CCNC(=O)CSCOC(C)C 62a_100000709892_100000183597 [0,2,0,0,0,0|2,0,0]=4 6837 B12R0.95 C=CCNC(=O)NCCCC(C)C 2708a_200000737386_100020586998 [0,2,0,0,0,0|1,0,0]=3 6838 B12R0.95 C=CCNC(=O)NCCCC(C)C 273464a_100020586998_200000737386 [0,2,0,0,0,0|1,0,0]=3 6839 B12R0.95 C=CCNC(=O)NCCCC(C)C 273464a_200000737386_100020586998 [0,2,0,0,0,0|1,0,0]=3 6840 B12R0.95 C=CCNC(=O)NCCCC(C)C 512a_100020586998_200000737386 [0,2,0,0,0,0|1,0,0]=3 6841 B12R0.95 C=CCNC(=O)NCCCC(C)C 512a_200000737386_100020586998 [0,2,0,0,0,0|1,0,0]=3 6842 B12R0.95 C=CCNC(=O)NCCCN(C)C 273464a_100020586998_102531767803 [0,2,0,0,0,0|2,0,0]=4 6843 B12R0.95 C=CCNC(=O)NCCCN(C)C 273464a_102531767803_100020586998 [0,2,0,0,0,0|2,0,0]=4 6844 B12R0.95 C=CCNC(=O)NCCCN(C)C 512a_100020586998_102531767803 [0,2,0,0,0,0|2,0,0]=4 6845 B12R0.95 C=CCNC(=O)NCCCN(C)C 512a_102531767803_100020586998 [0,2,0,0,0,0|2,0,0]=4 6846 B12R0.95 C=CCNC(=O)NCCCS(=O)C 2708a_200000753449_100020586998 [0,2,0,0,0,0|2,0,0]=4 6847 B12R0.95 C=CCNC(=O)NCCCS(=O)C 273464a_100020586998_200000753449 [0,2,0,0,0,0|2,0,0]=4 6848 B12R0.95 C=CCNC(=O)NCCCS(=O)C 273464a_200000753449_100020586998 [0,2,0,0,0,0|2,0,0]=4 6849 B12R0.95 C=CCNC(=O)NCCCS(=O)C 512a_100020586998_200000753449 [0,2,0,0,0,0|2,0,0]=4 6850 B12R0.95 C=CCNC(=O)NCCCS(=O)C 512a_200000753449_100020586998 [0,2,0,0,0,0|2,0,0]=4 6851 B12R0.95 C=CCNC(=O)NCCOC(C)C 2708a_100000701111_100020586998 [0,2,0,0,0,0|2,0,0]=4 6852 B12R0.95 C=CCNC(=O)NCCOC(C)C 273464a_100000701111_100020586998 [0,2,0,0,0,0|2,0,0]=4 6853 B12R0.95 C=CCNC(=O)NCCOC(C)C 273464a_100020586998_100000701111 [0,2,0,0,0,0|2,0,0]=4 6854 B12R0.95 C=CCNC(=O)NCCOC(C)C 512a_100000701111_100020586998 [0,2,0,0,0,0|2,0,0]=4 6855 B12R0.95 C=CCNC(=O)NCCOC(C)C 512a_100020586998_100000701111 [0,2,0,0,0,0|2,0,0]=4 6856 B12R0.95 C=CCNC(=O)NCCSC(C)C 2708a_100000731138_100020586998 [0,2,0,0,0,0|2,0,0]=4 6857 B12R0.95 C=CCNC(=O)NCCSC(C)C 273464a_100000731138_100020586998 [0,2,0,0,0,0|2,0,0]=4 6858 B12R0.95 C=CCNC(=O)NCCSC(C)C 273464a_100020586998_100000731138 [0,2,0,0,0,0|2,0,0]=4 6859 B12R0.95 C=CCNC(=O)NCCSC(C)C 512a_100000731138_100020586998 [0,2,0,0,0,0|2,0,0]=4 6860 B12R0.95 C=CCNC(=O)NCCSC(C)C 512a_100020586998_100000731138 [0,2,0,0,0,0|2,0,0]=4 6861 B12R0.95 C=CCOC(=O)CNCC=C(C)C 34a_100000718196_100000033060 [0,2,0,0,0,0|0,0,2]=4 6862 B12R0.95 C=CCOC(=O)CNCCC(C)O 2230a_200000755665_100000033060 [0,2,0,0,0,0|0,0,0]=2 6863 B12R0.95 C=CCOC(=O)COCC=C(C)C 34a_100000753907_100000033060 [0,2,0,0,0,0|0,0,2]=4 6864 B12R0.95 C=CCOC(=O)COCCC(=C)Br 34a_100009813270_100000033060 [0,2,0,0,0,0|0,0,2]=4 6865 B12R0.95 C=CCOC(=O)COCCC(=C)C 34a_100000764851_100000033060 [0,2,0,0,0,0|0,0,1]=3 6866 B12R0.95 C=CCOC(=O)COCCC(=O)C 34a_100000759926_100000033060 [0,2,0,0,0,0|0,0,1]=3 6867 B12R0.95 C=CCOC(=O)COCCC(=O)C 7a_100000759926_100000033060 [0,2,0,0,0,0|0,0,1]=3 6868 B12R0.95 C=CCOC(=O)COCCC(=O)N 34a_100000757172_100000033060 [0,2,0,0,0,0|1,0,1]=4 6869 B12R0.95 C=CCOC(=O)COCCC(=O)N 7a_100000757172_100000033060 [0,2,0,0,0,0|1,0,1]=4 6870 B12R0.95 C=CCOC(=O)COCCC(C)Br 34a_100009893172_100000033060 [0,2,0,0,0,0|0,0,0]=2 6871 B12R0.95 C=CCOC(=O)COCCC(C)C 34a_100000210254_100000033060 [0,2,0,0,0,0|0,0,0]=2 6872 B12R0.95 C=CCOC(=O)COCCC(C)C 7a_100000210254_100000033060 [0,2,0,0,0,0|0,0,0]=2 6873 B12R0.95 C=CCOC(=O)COCCC(F)F 34a_100103093639_100000033060 [0,2,0,0,0,0|1,0,0]=3 6874 B12R0.95 C=CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000033060 [0,2,0,0,0,0|0,0,0]=2 6875 B12R0.95 C=CCOC(=O)CSCC=C(C)C 62a_100000033060_100000761012 [0,2,0,0,0,0|0,0,2]=4 6876 B12R0.95 C=CCOC(=O)CSCC=C(C)C 62a_100000761012_100000033060 [0,2,0,0,0,0|0,0,2]=4 6877 B12R0.95 C=CCOC(=O)CSCCC(=C)C 62a_100000033060_100000730704 [0,2,0,0,0,0|0,0,1]=3 6878 B12R0.95 C=CCOC(=O)CSCCC(=C)C 62a_100000730704_100000033060 [0,2,0,0,0,0|0,0,1]=3 6879 B12R0.95 C=CCOC(=O)CSCCC(=O)C 62a_100000033060_100000053229 [0,2,0,0,0,0|0,0,1]=3 6880 B12R0.95 C=CCOC(=O)CSCCC(=O)C 62a_100000053229_100000033060 [0,2,0,0,0,0|0,0,1]=3 6881 B12R0.95 C=CCOC(=O)CSCCC(=O)N 62a_100000033060_100000744528 [0,2,0,0,0,0|1,0,1]=4 6882 B12R0.95 C=CCOC(=O)CSCCC(=O)N 62a_100000744528_100000033060 [0,2,0,0,0,0|1,0,1]=4 6883 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000033060_100000210312 [0,2,0,0,0,0|0,0,0]=2 6884 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000210312_100000033060 [0,2,0,0,0,0|0,0,0]=2 6885 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100000033060_100012276601 [0,2,0,0,0,0|0,0,0]=2 6886 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100012276601_100000033060 [0,2,0,0,0,0|0,0,0]=2 6887 B12R0.95 C=CCOC(=O)CSCCN(C)C 62a_100000033060_100000755713 [0,2,0,0,0,0|1,0,0]=3 6888 B12R0.95 C=CCOC(=O)CSCOC(=O)C 62a_100000033060_100000076356 [0,2,0,0,0,0|1,0,1]=4 6889 B12R0.95 C=CCOC(=O)CSCOC(=O)C 62a_100000076356_100000033060 [0,2,0,0,0,0|1,0,1]=4 6890 B12R0.95 C=CCOC(=O)CSCOC(C)C 62a_100000033060_100000709892 [0,2,0,0,0,0|1,0,0]=3 6891 B12R0.95 C=CCOC(=O)CSCOC(C)C 62a_100000709892_100000033060 [0,2,0,0,0,0|1,0,0]=3 6892 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,2,0,0,0,0|0,0,2]=4 6893 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,2,0,0,0,0|0,0,2]=4 6894 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,2,0,0,0,0|0,0,2]=4 6895 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,2,0,0,0,0|0,0,2]=4 6896 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,2,0,0,0,0|0,0,2]=4 6897 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,2,0,0,0,0|0,0,2]=4 6898 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,2,0,0,0,0|0,0,2]=4 6899 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,2,0,0,0,0|0,0,2]=4 6900 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,2,0,0,0,0|0,0,2]=4 6901 B12R0.102 C#CC(C)NCCC(=O)NCC=C 2230a_100000707721_100011222895 [0,2,0,0,0,0|2,0,0]=4 6902 B12R0.102 C#CC(C)SCCC(=O)NCC=C 62a_200000035995_100011222895 [0,2,0,0,0,0|2,0,0]=4 6903 B12R0.102 C#C[C@@H](C)OCCC(=O)NCC=C 7a_100009815206_100011222895 [0,2,0,0,0,0|2,0,0]=4 6904 B12R0.102 C=CC=CC(=O)CCCN(C)CC 1458a_100016291481_100015186262 [0,2,0,0,0,0|1,0,1]=4 6905 B12R0.102 C=CC=CC(=O)NCCC(C)CC 1626a_100020591266_100016291481 [0,2,0,0,0,0|1,0,1]=4 6906 B12R0.102 C=CCCC(=O)CCCC(=O)NC 1458a_100000749702_100000741757 [0,2,0,0,0,0|1,0,1]=4 6907 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000754431 [0,2,0,0,0,0|1,0,1]=4 6908 B12R0.102 C=CCCC(=O)CCCC(=O)OC 1458a_100000749702_100011218270 [0,2,0,0,0,0|1,0,1]=4 6909 B12R0.102 C=CCCC(=O)CCCN(C)CC 1458a_100000749702_100015186262 [0,2,0,0,0,0|1,0,0]=3 6910 B12R0.102 C=CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000754431 [0,2,0,0,0,0|2,0,0]=4 6911 B12R0.102 C=CCCC(=O)NCCC(C)CC 11a_100020591266_100000749702 [0,2,0,0,0,0|1,0,0]=3 6912 B12R0.102 C=CCCC(=O)NCCC(C)CC 1626a_100020591266_100000749702 [0,2,0,0,0,0|1,0,0]=3 6913 B12R0.102 C=CCCC(=O)NCCC(C)CC 240690a_100020591266_100000749702 [0,2,0,0,0,0|1,0,0]=3 6914 B12R0.102 C=CCCC(=O)NCCC(C)CC 527a_100020591266_100000749702 [0,2,0,0,0,0|1,0,0]=3 6915 B12R0.102 C=CCCC(=O)NCCC(C)CO 240690a_106354213184_100000749702 [0,2,0,0,0,0|2,0,0]=4 6916 B12R0.102 C=CCCC(=O)NCCC(C)CO 527a_106354213184_100000749702 [0,2,0,0,0,0|2,0,0]=4 6917 B12R0.102 C=CCCC(=O)NNCC(O)CC 22a_100015206393_100000749702 [0,2,0,0,0,0|2,0,0]=4 6918 B12R0.102 C=CCNC(=O)CCCC(=O)OC 1626a_100020586998_100000239890 [0,2,0,0,0,0|1,0,1]=4 6919 B12R0.102 C=CCNC(=O)CCCC(=O)OC 240690a_100020586998_100000239890 [0,2,0,0,0,0|1,0,1]=4 6920 B12R0.102 C=CCNC(=O)CCCC(=O)OC 527a_100020586998_100000239890 [0,2,0,0,0,0|1,0,1]=4 6921 B12R0.102 C=CCNC(=O)CCCN(C)N=O 1626a_100020586998_200000076914 [0,2,0,0,0,0|2,0,0]=4 6922 B12R0.102 C=CCNC(=O)CCCN(C)N=O 240690a_100020586998_200000076914 [0,2,0,0,0,0|2,0,0]=4 6923 B12R0.102 C=CCNC(=O)CCCN(C)N=O 527a_100020586998_200000076914 [0,2,0,0,0,0|2,0,0]=4 6924 B12R0.102 C=CCNC(=O)CCNC(C)C#N 2230a_100000737613_100011222895 [0,2,0,0,0,0|2,0,0]=4 6925 B12R0.102 C=CCNC(=O)CCNC(C)CC 2230a_100000209981_100011222895 [0,2,0,0,0,0|1,0,0]=3 6926 B12R0.102 C=CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100011222895 [0,2,0,0,0,0|2,0,0]=4 6927 B12R0.102 C=CCNC(=O)CCOC(C)CC 7a_100000210228_100011222895 [0,2,0,0,0,0|1,0,0]=3 6928 B12R0.102 C=CCNC(=O)CCOC(C)CF 7a_100016041109_100011222895 [0,2,0,0,0,0|2,0,0]=4 6929 B12R0.102 C=CCNC(=O)CCSC(C)C#N 62a_100000703298_100011222895 [0,2,0,0,0,0|2,0,0]=4 6930 B12R0.102 C=CCNC(=O)CCSC(C)C#N 62a_100011222895_100000703298 [0,2,0,0,0,0|2,0,0]=4 6931 B12R0.102 C=CCNC(=O)CCSC(C)C=C 62a_100011215867_100011222895 [0,2,0,0,0,0|2,0,0]=4 6932 B12R0.102 C=CCNC(=O)CCSC(C)CC 62a_100000758301_100011222895 [0,2,0,0,0,0|1,0,0]=3 6933 B12R0.102 C=CCNC(=O)CCSC(C)CC 62a_100011222895_100000758301 [0,2,0,0,0,0|1,0,0]=3 6934 B12R0.102 C=CCNC(=O)CCSC(C)CO 62a_100012180447_100011222895 [0,2,0,0,0,0|2,0,0]=4 6935 B12R0.102 C=CCNC(=O)CCSC(C)OC 62a_100009879195_100011222895 [0,2,0,0,0,0|2,0,0]=4 6936 B12R0.102 C=CCNC(=O)CCSC(C)OC 62a_100011222895_100009879195 [0,2,0,0,0,0|2,0,0]=4 6937 B12R0.102 C=CCNC(=O)CCS[C@H](C)CO 62a_100011222895_100016084084 [0,2,0,0,0,0|2,0,0]=4 6938 B12R0.102 C=CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100011222895 [0,2,0,0,0,0|2,0,0]=4 6939 B12R0.102 C=CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183597 [0,2,0,0,0,0|1,0,0]=3 6940 B12R0.102 C=CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183597 [0,2,0,0,0,0|1,0,0]=3 6941 B12R0.102 C=CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183597 [0,2,0,0,0,0|2,0,0]=4 6942 B12R0.102 C=CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183597 [0,2,0,0,0,0|2,0,0]=4 6943 B12R0.102 C=CCNC(=O)COCC(C)C=C 7a_100011215527_100000183597 [0,2,0,0,0,0|2,0,0]=4 6944 B12R0.102 C=CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183597 [0,2,0,0,0,0|1,0,0]=3 6945 B12R0.102 C=CCNC(=O)CSCC(=O)CC 62a_100000183597_100000747405 [0,2,0,0,0,0|1,0,1]=4 6946 B12R0.102 C=CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183597 [0,2,0,0,0,0|1,0,1]=4 6947 B12R0.102 C=CCNC(=O)CSCC(C)CC 62a_100000183597_100000748023 [0,2,0,0,0,0|1,0,0]=3 6948 B12R0.102 C=CCNC(=O)CSCC(C)CC 62a_100000748023_100000183597 [0,2,0,0,0,0|1,0,0]=3 6949 B12R0.102 C=CCNC(=O)CSCC(O)CC 62a_100000183597_100011218378 [0,2,0,0,0,0|1,0,0]=3 6950 B12R0.102 C=CCNC(=O)CSCC(O)CC 62a_100011218378_100000183597 [0,2,0,0,0,0|1,0,0]=3 6951 B12R0.102 C=CCNC(=O)CSCC(O)CO 62a_100000183597_100011219619 [0,2,0,0,0,0|2,0,0]=4 6952 B12R0.102 C=CCNC(=O)CSCC(O)CO 62a_100011219619_100000183597 [0,2,0,0,0,0|2,0,0]=4 6953 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CC 62a_100000183597_100009816398 [0,2,0,0,0,0|1,0,0]=3 6954 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183597 [0,2,0,0,0,0|1,0,0]=3 6955 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183597 [0,2,0,0,0,0|2,0,0]=4 6956 B12R0.102 C=CCNC(=O)CSC[C@@H](C)CO 62a_100000183597_100000059175 [0,2,0,0,0,0|2,0,0]=4 6957 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CF 62a_100000183597_100015614560 [0,2,0,0,0,0|2,0,0]=4 6958 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183597 [0,2,0,0,0,0|2,0,0]=4 6959 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CO 62a_100000183597_100009815848 [0,2,0,0,0,0|2,0,0]=4 6960 B12R0.102 C=CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183597 [0,2,0,0,0,0|2,0,0]=4 6961 B12R0.102 C=CCNC(=O)NCCC(C)CC 2708a_100020591266_100020586998 [0,2,0,0,0,0|1,0,0]=3 6962 B12R0.102 C=CCNC(=O)NCCC(C)CC 273464a_100020586998_100020591266 [0,2,0,0,0,0|1,0,0]=3 6963 B12R0.102 C=CCNC(=O)NCCC(C)CC 273464a_100020591266_100020586998 [0,2,0,0,0,0|1,0,0]=3 6964 B12R0.102 C=CCNC(=O)NCCC(C)CC 512a_100020586998_100020591266 [0,2,0,0,0,0|1,0,0]=3 6965 B12R0.102 C=CCNC(=O)NCCC(C)CC 512a_100020591266_100020586998 [0,2,0,0,0,0|1,0,0]=3 6966 B12R0.102 C=CCNC(=O)NCCC(C)CO 273464a_100020586998_106354213184 [0,2,0,0,0,0|2,0,0]=4 6967 B12R0.102 C=CCNC(=O)NCCC(C)CO 273464a_106354213184_100020586998 [0,2,0,0,0,0|2,0,0]=4 6968 B12R0.102 C=CCNC(=O)NCCC(C)CO 512a_100020586998_106354213184 [0,2,0,0,0,0|2,0,0]=4 6969 B12R0.102 C=CCNC(=O)NCCC(C)CO 512a_106354213184_100020586998 [0,2,0,0,0,0|2,0,0]=4 6970 B12R0.102 C=CCNC(=O)NNCC(O)CC 273464a_100020586998_100015206393 [0,2,0,0,0,0|2,0,0]=4 6971 B12R0.102 C=CCNC(=O)NNCC(O)CC 512a_100015206393_100020586998 [0,2,0,0,0,0|2,0,0]=4 6972 B12R0.102 C=CCNC(=O)NNCC(O)CC 512a_100020586998_100015206393 [0,2,0,0,0,0|2,0,0]=4 6973 B12R0.102 C=CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000033060 [0,2,0,0,0,0|1,0,1]=4 6974 B12R0.102 C=CCOC(=O)CNCC(C)CC 2230a_100020588543_100000033060 [0,2,0,0,0,0|0,0,0]=2 6975 B12R0.102 C=CCOC(=O)CNCC(C)CO 34a_100000744482_100000033060 [0,2,0,0,0,0|1,0,0]=3 6976 B12R0.102 C=CCOC(=O)CNCC(O)CC 2230a_100011218483_100000033060 [0,2,0,0,0,0|0,0,0]=2 6977 B12R0.102 C=CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000033060 [0,2,0,0,0,0|1,0,0]=3 6978 B12R0.102 C=CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000033060 [0,2,0,0,0,0|1,0,0]=3 6979 B12R0.102 C=CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000033060 [0,2,0,0,0,0|1,0,0]=3 6980 B12R0.102 C=CCOC(=O)COCC(=O)CC 34a_100000725409_100000033060 [0,2,0,0,0,0|0,0,1]=3 6981 B12R0.102 C=CCOC(=O)COCC(=O)NC 34a_100000750040_100000033060 [0,2,0,0,0,0|1,0,1]=4 6982 B12R0.102 C=CCOC(=O)COCC(C)C=C 34a_100011215527_100000033060 [0,2,0,0,0,0|1,0,0]=3 6983 B12R0.102 C=CCOC(=O)COCC(C)C=C 7a_100011215527_100000033060 [0,2,0,0,0,0|1,0,0]=3 6984 B12R0.102 C=CCOC(=O)COCC(C)CN 34a_100000744482_100000033060 [0,2,0,0,0,0|1,0,0]=3 6985 B12R0.102 C=CCOC(=O)COCC(C)OC 34a_100000690652_100000033060 [0,2,0,0,0,0|1,0,0]=3 6986 B12R0.102 C=CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000033060 [0,2,0,0,0,0|1,0,0]=3 6987 B12R0.102 C=CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000033060 [0,2,0,0,0,0|0,0,0]=2 6988 B12R0.102 C=CCOC(=O)COC[C@@H](N)C=C 34a_100016989147_100000033060 [0,2,0,0,0,0|0,0,2]=4 6989 B12R0.102 C=CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000033060 [0,2,0,0,0,0|1,0,0]=3 6990 B12R0.102 C=CCOC(=O)CSCC(=O)CC 62a_100000033060_100000747405 [0,2,0,0,0,0|0,0,1]=3 6991 B12R0.102 C=CCOC(=O)CSCC(=O)CC 62a_100000747405_100000033060 [0,2,0,0,0,0|0,0,1]=3 6992 B12R0.102 C=CCOC(=O)CSCC(=O)NC 62a_100000033060_100000183359 [0,2,0,0,0,0|1,0,1]=4 6993 B12R0.102 C=CCOC(=O)CSCC(=O)NC 62a_100000183359_100000033060 [0,2,0,0,0,0|1,0,1]=4 6994 B12R0.102 C=CCOC(=O)CSCC(=O)OC 62a_100000033060_100000747449 [0,2,0,0,0,0|1,0,1]=4 6995 B12R0.102 C=CCOC(=O)CSCC(=O)OC 62a_100000747449_100000033060 [0,2,0,0,0,0|1,0,1]=4 6996 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000033060_100000748023 [0,2,0,0,0,0|0,0,0]=2 6997 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000748023_100000033060 [0,2,0,0,0,0|0,0,0]=2 6998 B12R0.102 C=CCOC(=O)CSCC(O)C=C 62a_100000033060_100000730141 [0,2,0,0,0,0|0,0,2]=4 6999 B12R0.102 C=CCOC(=O)CSCC(O)C=C 62a_100000730141_100000033060 [0,2,0,0,0,0|0,0,2]=4 7000 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100000033060_100011218378 [0,2,0,0,0,0|0,0,0]=2 7001 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100011218378_100000033060 [0,2,0,0,0,0|0,0,0]=2 7002 B12R0.102 C=CCOC(=O)CSCC(O)CO 62a_100000033060_100011219619 [0,2,0,0,0,0|1,0,0]=3 7003 B12R0.102 C=CCOC(=O)CSCC(O)CO 62a_100011219619_100000033060 [0,2,0,0,0,0|1,0,0]=3 7004 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100000033060_100009816398 [0,2,0,0,0,0|0,0,0]=2 7005 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000033060 [0,2,0,0,0,0|0,0,0]=2 7006 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CO 62a_100000033060_100000059175 [0,2,0,0,0,0|1,0,0]=3 7007 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000033060 [0,2,0,0,0,0|1,0,0]=3 7008 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CF 62a_100000033060_100015614560 [0,2,0,0,0,0|1,0,0]=3 7009 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000033060 [0,2,0,0,0,0|1,0,0]=3 7010 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CO 62a_100000033060_100009815848 [0,2,0,0,0,0|1,0,0]=3 7011 B12R0.102 C=CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000033060 [0,2,0,0,0,0|1,0,0]=3 7012 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,2,0,0,0,0|0,0,2]=4 7013 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,2,0,0,0,0|0,0,2]=4 7014 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,2,0,0,0,0|0,0,2]=4 7015 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,2,0,0,0,0|0,0,2]=4 7016 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,2,0,0,0,0|0,0,2]=4 7017 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,2,0,0,0,0|0,0,2]=4 7018 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,2,0,0,0,0|0,0,2]=4 7019 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,2,0,0,0,0|0,0,2]=4 7020 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,2,0,0,0,0|0,0,2]=4 7021 B12R0.111 C#CC(CCCCCBr)OCC=C 34a_200010408556_100015514636 [0,2,0,0,0,0|1,0,1]=4 7022 B12R0.111 C#CC(CCCCCBr)OCC=C 7a_200010408556_100015514636 [0,2,0,0,0,0|1,0,1]=4 7023 B12R0.111 C=CCOC(C=C)CCCCCC 34a_200011215977_100015514636 [0,2,0,0,0,0|1,0,1]=4 7024 B12R0.111 C=CCOC(C=C)CCCCCC 7a_200011215977_100015514636 [0,2,0,0,0,0|1,0,1]=4 7025 B12R0.111 C=CCOC(CC)CCCCCC 34a_100011215785_100015514636 [0,2,0,0,0,0|1,0,1]=4 7026 B12R0.111 C=CCOC(CC)CCCCCC 7a_100011215785_100015514636 [0,2,0,0,0,0|1,0,1]=4 7027 B12R0.113 C#CCCCCC(=O)CC(C)C=C 1458a_100011934298_100010269958 [0,2,0,0,0,0|1,0,1]=4 7028 B12R0.113 C=CC(=O)CC(=O)NCCCCC 1458a_100000185746_100000230301 [0,2,0,0,0,0|1,0,1]=4 7029 B12R0.113 C=CC(C)CC(=O)CC/C=C\CC 1458a_100011934298_100015370543 [0,2,0,0,0,0|1,0,1]=4 7030 B12R0.113 C=CC(C)CC(=O)CCCCC#N 1458a_100011934298_100000211819 [0,2,0,0,0,0|1,0,1]=4 7031 B12R0.113 C=CC(C)CC(=O)CCCCCC 1458a_100011934298_100000210757 [0,2,0,0,0,0|1,0,0]=3 7032 B12R0.113 C=CC(C)CC(=O)CCCCCF 1458a_100011934298_100000729378 [0,2,0,0,0,0|1,0,0]=3 7033 B12R0.113 C=CC(C)CC(=O)CCCCCO 1458a_100011934298_100000746330 [0,2,0,0,0,0|1,0,0]=3 7034 B12R0.113 C=CC(C)CC(=O)CCCCOC 1458a_100011934298_100000755781 [0,2,0,0,0,0|1,0,0]=3 7035 B12R0.113 C=CC(C)CC(=O)CCCOCC 1458a_100011934298_100012232248 [0,2,0,0,0,0|1,0,0]=3 7036 B12R0.113 C=CC(C)CC(=O)CCOCCC 1458a_100011934298_100011215938 [0,2,0,0,0,0|1,0,0]=3 7037 B12R0.113 C=CC(C)CC(=O)CCOCCO 1458a_100011934298_100011215305 [0,2,0,0,0,0|2,0,0]=4 7038 B12R0.113 C=CC(C)CC(=O)COCCCC 1458a_100011934298_100011995733 [0,2,0,0,0,0|1,0,0]=3 7039 B12R0.113 C=CC(C)CC(=O)NCCCCC 11a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 7040 B12R0.113 C=CC(C)CC(=O)NCCCCC 1626a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 7041 B12R0.113 C=CC(C)CC(=O)NCCCCC 240690a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 7042 B12R0.113 C=CC(C)CC(=O)NCCCCC 527a_100000209983_100011934298 [0,2,0,0,0,0|1,0,0]=3 7043 B12R0.113 C=CC(C)CC(=O)NCCCCO 240690a_100000750430_100011934298 [0,2,0,0,0,0|2,0,0]=4 7044 B12R0.113 C=CC(C)CC(=O)NCCCCO 527a_100000750430_100011934298 [0,2,0,0,0,0|2,0,0]=4 7045 B12R0.113 C=CC(C)CC(=O)NCCCOC 1626a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 7046 B12R0.113 C=CC(C)CC(=O)NCCCOC 240690a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 7047 B12R0.113 C=CC(C)CC(=O)NCCCOC 527a_100150723488_100011934298 [0,2,0,0,0,0|2,0,0]=4 7048 B12R0.113 C=CC(C)CC(=O)NCCCSC 11a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 7049 B12R0.113 C=CC(C)CC(=O)NCCCSC 1626a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 7050 B12R0.113 C=CC(C)CC(=O)NCCCSC 240690a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 7051 B12R0.113 C=CC(C)CC(=O)NCCCSC 527a_100000749238_100011934298 [0,2,0,0,0,0|2,0,0]=4 7052 B12R0.113 C=CC(C)CC(=O)NCCOCC 11a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 7053 B12R0.113 C=CC(C)CC(=O)NCCOCC 1626a_102516460346_100011934298 [0,2,0,0,0,0|2,0,0]=4 7054 B12R0.113 C=CC(C)CC(=O)NCCOCC 240690a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 7055 B12R0.113 C=CC(C)CC(=O)NCCOCC 527a_100011200944_100011934298 [0,2,0,0,0,0|2,0,0]=4 7056 B12R0.113 C=CC(C)CC(=O)NCCSCC 11a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 7057 B12R0.113 C=CC(C)CC(=O)NCCSCC 1626a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 7058 B12R0.113 C=CC(C)CC(=O)NCCSCC 240690a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 7059 B12R0.113 C=CC(C)CC(=O)NCCSCC 527a_100000106463_100011934298 [0,2,0,0,0,0|2,0,0]=4 7060 B12R0.113 C=CC(C)CC(=O)NNCCCC 22a_100025702795_100011934298 [0,2,0,0,0,0|2,0,0]=4 7061 B12R0.113 C=CC(C)OC(C)CCCCCC 34a_100000695699_100011215978 [0,2,0,0,0,0|1,0,1]=4 7062 B12R0.113 C=CCCCCC(=O)CC(C)C=C 1458a_100011934298_100011215482 [0,2,0,0,0,0|1,0,1]=4 7063 B12R0.114 C#CCCCCC(=O)C(C)CC=C 1458a_100011216819_100010269958 [0,2,0,0,0,0|1,0,1]=4 7064 B12R0.114 C#CCCCCC(=O)N(C)CC=C 11a_100000225617_100000696528 [0,2,0,0,0,0|1,0,1]=4 7065 B12R0.114 C#CCCCCC(=O)N(C)CC=C 1626a_100000225617_100000696528 [0,2,0,0,0,0|1,0,1]=4 7066 B12R0.114 C#CCCCCC(=O)N(C)CC=C 240690a_100000225617_100000696528 [0,2,0,0,0,0|1,0,1]=4 7067 B12R0.114 C#CCCCCC(=O)N(C)CC=C 527a_100000225617_100000696528 [0,2,0,0,0,0|1,0,1]=4 7068 B12R0.114 C=CCC(C)C(=O)CC/C=C\CC 1458a_100011216819_100015370543 [0,2,0,0,0,0|1,0,1]=4 7069 B12R0.114 C=CCC(C)C(=O)CCCCC#N 1458a_100011216819_100000211819 [0,2,0,0,0,0|1,0,1]=4 7070 B12R0.114 C=CCC(C)C(=O)CCCCCC 1458a_100011216819_100000210757 [0,2,0,0,0,0|1,0,0]=3 7071 B12R0.114 C=CCC(C)C(=O)CCCCCF 1458a_100011216819_100000729378 [0,2,0,0,0,0|1,0,0]=3 7072 B12R0.114 C=CCC(C)C(=O)CCCCCO 1458a_100011216819_100000746330 [0,2,0,0,0,0|1,0,0]=3 7073 B12R0.114 C=CCC(C)C(=O)CCCCOC 1458a_100011216819_100000755781 [0,2,0,0,0,0|1,0,0]=3 7074 B12R0.114 C=CCC(C)C(=O)CCCOCC 1458a_100011216819_100012232248 [0,2,0,0,0,0|1,0,0]=3 7075 B12R0.114 C=CCC(C)C(=O)CCOCCC 1458a_100011216819_100011215938 [0,2,0,0,0,0|1,0,0]=3 7076 B12R0.114 C=CCC(C)C(=O)CCOCCO 1458a_100011216819_100011215305 [0,2,0,0,0,0|2,0,0]=4 7077 B12R0.114 C=CCC(C)C(=O)COCCCC 1458a_100011216819_100011995733 [0,2,0,0,0,0|1,0,0]=3 7078 B12R0.114 C=CCC(C)C(=O)NCCCCC 11a_100000209983_100011216819 [0,2,0,0,0,0|1,0,0]=3 7079 B12R0.114 C=CCC(C)C(=O)NCCCCC 1626a_100000209983_100011216819 [0,2,0,0,0,0|1,0,0]=3 7080 B12R0.114 C=CCC(C)C(=O)NCCCCC 240690a_100000209983_100011216819 [0,2,0,0,0,0|1,0,0]=3 7081 B12R0.114 C=CCC(C)C(=O)NCCCCC 527a_100000209983_100011216819 [0,2,0,0,0,0|1,0,0]=3 7082 B12R0.114 C=CCC(C)C(=O)NCCCCO 240690a_100000750430_100011216819 [0,2,0,0,0,0|2,0,0]=4 7083 B12R0.114 C=CCC(C)C(=O)NCCCCO 527a_100000750430_100011216819 [0,2,0,0,0,0|2,0,0]=4 7084 B12R0.114 C=CCC(C)C(=O)NCCCOC 1626a_100150723488_100011216819 [0,2,0,0,0,0|2,0,0]=4 7085 B12R0.114 C=CCC(C)C(=O)NCCCOC 240690a_100150723488_100011216819 [0,2,0,0,0,0|2,0,0]=4 7086 B12R0.114 C=CCC(C)C(=O)NCCCOC 527a_100150723488_100011216819 [0,2,0,0,0,0|2,0,0]=4 7087 B12R0.114 C=CCC(C)C(=O)NCCCSC 11a_100000749238_100011216819 [0,2,0,0,0,0|2,0,0]=4 7088 B12R0.114 C=CCC(C)C(=O)NCCCSC 1626a_100000749238_100011216819 [0,2,0,0,0,0|2,0,0]=4 7089 B12R0.114 C=CCC(C)C(=O)NCCCSC 240690a_100000749238_100011216819 [0,2,0,0,0,0|2,0,0]=4 7090 B12R0.114 C=CCC(C)C(=O)NCCCSC 527a_100000749238_100011216819 [0,2,0,0,0,0|2,0,0]=4 7091 B12R0.114 C=CCC(C)C(=O)NCCOCC 11a_100011200944_100011216819 [0,2,0,0,0,0|2,0,0]=4 7092 B12R0.114 C=CCC(C)C(=O)NCCOCC 1626a_102516460346_100011216819 [0,2,0,0,0,0|2,0,0]=4 7093 B12R0.114 C=CCC(C)C(=O)NCCOCC 240690a_100011200944_100011216819 [0,2,0,0,0,0|2,0,0]=4 7094 B12R0.114 C=CCC(C)C(=O)NCCOCC 527a_100011200944_100011216819 [0,2,0,0,0,0|2,0,0]=4 7095 B12R0.114 C=CCC(C)C(=O)NCCSCC 11a_100000106463_100011216819 [0,2,0,0,0,0|2,0,0]=4 7096 B12R0.114 C=CCC(C)C(=O)NCCSCC 1626a_100000106463_100011216819 [0,2,0,0,0,0|2,0,0]=4 7097 B12R0.114 C=CCC(C)C(=O)NCCSCC 240690a_100000106463_100011216819 [0,2,0,0,0,0|2,0,0]=4 7098 B12R0.114 C=CCC(C)C(=O)NCCSCC 527a_100000106463_100011216819 [0,2,0,0,0,0|2,0,0]=4 7099 B12R0.114 C=CCC(C)C(=O)NNCCCC 22a_100025702795_100011216819 [0,2,0,0,0,0|2,0,0]=4 7100 B12R0.114 C=CCCCCC(=O)C(C)CC=C 1458a_100011216819_100011215482 [0,2,0,0,0,0|1,0,1]=4 7101 B12R0.114 C=CCCCCC(=O)N(C)CC=C 11a_100000225617_100011215552 [0,2,0,0,0,0|1,0,1]=4 7102 B12R0.114 C=CCCCCC(=O)N(C)CC=C 1626a_100000225617_100011215552 [0,2,0,0,0,0|1,0,1]=4 7103 B12R0.114 C=CCCCCC(=O)N(C)CC=C 240690a_100000225617_100011215552 [0,2,0,0,0,0|1,0,1]=4 7104 B12R0.114 C=CCCCCC(=O)N(C)CC=C 527a_100000225617_100011215552 [0,2,0,0,0,0|1,0,1]=4 7105 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 11a_100000225617_200016266809 [0,2,0,0,0,0|1,0,1]=4 7106 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 1626a_100000225617_200016266809 [0,2,0,0,0,0|1,0,1]=4 7107 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 240690a_100000225617_200016266809 [0,2,0,0,0,0|1,0,1]=4 7108 B12R0.114 C=CCN(C)C(=O)C/C=C/CCC 527a_100000225617_200016266809 [0,2,0,0,0,0|1,0,1]=4 7109 B12R0.114 C=CCN(C)C(=O)C=CCCCC 11a_100000225617_100016266645 [0,2,0,0,0,0|1,0,1]=4 7110 B12R0.114 C=CCN(C)C(=O)C=CCCCC 1626a_100000225617_100016266645 [0,2,0,0,0,0|1,0,1]=4 7111 B12R0.114 C=CCN(C)C(=O)C=CCCCC 240690a_100000225617_100016266645 [0,2,0,0,0,0|1,0,1]=4 7112 B12R0.114 C=CCN(C)C(=O)CCCCCC 11a_100000225617_100102632555 [0,2,0,0,0,0|1,0,0]=3 7113 B12R0.114 C=CCN(C)C(=O)CCCCCC 1626a_100000225617_100102632555 [0,2,0,0,0,0|1,0,0]=3 7114 B12R0.114 C=CCN(C)C(=O)CCCCCC 240690a_100000225617_100102632555 [0,2,0,0,0,0|1,0,0]=3 7115 B12R0.114 C=CCN(C)C(=O)CCCCCC 527a_100000225617_100102632555 [0,2,0,0,0,0|1,0,0]=3 7116 B12R0.114 C=CCN(C)C(=O)CCCCCO 240690a_100000225617_100102619762 [0,2,0,0,0,0|1,0,0]=3 7117 B12R0.114 C=CCN(C)C(=O)CCOCCO 1626a_100000225617_100011229844 [0,2,0,0,0,0|2,0,0]=4 7118 B12R0.114 C=CCN(C)C(=O)CCOCCO 240690a_100000225617_100011229844 [0,2,0,0,0,0|2,0,0]=4 7119 B12R0.114 C=CCN(C)C(=O)COCCCC 11a_100000225617_100000757543 [0,2,0,0,0,0|1,0,0]=3 7120 B12R0.114 C=CCN(C)C(=O)COCCCC 1626a_100000225617_100000757543 [0,2,0,0,0,0|1,0,0]=3 7121 B12R0.114 C=CCN(C)C(=O)COCCCC 240690a_100000225617_100000757543 [0,2,0,0,0,0|1,0,0]=3 7122 B12R0.114 C=CCN(C)C(=O)COCCCC 527a_100000225617_100000757543 [0,2,0,0,0,0|1,0,0]=3 7123 B12R0.114 C=CCN(C)C(=O)COCCOC 11a_100000225617_100000211095 [0,2,0,0,0,0|2,0,0]=4 7124 B12R0.114 C=CCN(C)C(=O)COCCOC 1626a_100000225617_100000211095 [0,2,0,0,0,0|2,0,0]=4 7125 B12R0.114 C=CCN(C)C(=O)COCCOC 240690a_100000225617_100000211095 [0,2,0,0,0,0|2,0,0]=4 7126 B12R0.114 C=CCN(C)C(=O)COCCOC 527a_100000225617_100000211095 [0,2,0,0,0,0|2,0,0]=4 7127 B12R0.114 C=CCN(C)C(=O)CSCCCC 11a_100000225617_100000191162 [0,2,0,0,0,0|1,0,0]=3 7128 B12R0.114 C=CCN(C)C(=O)CSCCCC 1626a_100000225617_100000191162 [0,2,0,0,0,0|1,0,0]=3 7129 B12R0.114 C=CCN(C)C(=O)CSCCCC 240690a_100000225617_100000191162 [0,2,0,0,0,0|1,0,0]=3 7130 B12R0.114 C=CCN(C)C(=O)CSCCCC 527a_100000225617_100000191162 [0,2,0,0,0,0|1,0,0]=3 7131 B12R0.114 C=CCN(C)C(=O)NCCCCC 2708a_100000209983_100000225617 [0,2,0,0,0,0|1,0,0]=3 7132 B12R0.114 C=CCN(C)C(=O)NCCCCC 273464a_100000209983_100000225617 [0,2,0,0,0,0|1,0,0]=3 7133 B12R0.114 C=CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225617 [0,2,0,0,0,0|2,0,0]=4 7134 B12R0.114 C=CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225617 [0,2,0,0,0,0|2,0,0]=4 7135 B12R0.114 C=CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225617 [0,2,0,0,0,0|2,0,0]=4 7136 B12R0.114 C=CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225617 [0,2,0,0,0,0|2,0,0]=4 7137 B12R0.114 C=CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225617 [0,2,0,0,0,0|2,0,0]=4 7138 B12R0.114 C=CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225617 [0,2,0,0,0,0|2,0,0]=4 7139 B12R0.114 C=CCN(C)C(=O)NCCOCC 2708a_100011200944_100000225617 [0,2,0,0,0,0|2,0,0]=4 7140 B12R0.114 C=CCN(C)C(=O)NCCOCC 273464a_102516460346_100000225617 [0,2,0,0,0,0|2,0,0]=4 7141 B12R0.114 C=CCN(C)C(=O)NCCSCC 2708a_100000106463_100000225617 [0,2,0,0,0,0|2,0,0]=4 7142 B12R0.114 C=CCN(C)C(=O)NCCSCC 273464a_100000106463_100000225617 [0,2,0,0,0,0|2,0,0]=4 7143 B12R0.206 C#CCCCCCC(=O)C=CC=C 1458a_100016291481_100012094781 [0,2,0,0,0,0|1,0,1]=4 7144 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000694772_100000754431 [0,2,0,0,0,0|1,0,0]=3 7145 B12R0.206 C#CCCCCCC(=O)CCC=C 1458a_100000749702_100012094781 [0,2,0,0,0,0|1,0,0]=3 7146 B12R0.206 C#CCCCCCC(=O)NCC=C 1626a_100020586998_100000694772 [0,2,0,0,0,0|1,0,0]=3 7147 B12R0.206 C#CCCCCCC(=O)NCC=C 240690a_100020586998_100000694772 [0,2,0,0,0,0|1,0,0]=3 7148 B12R0.206 C#CCCCCCC(=O)NCC=C 527a_100020586998_100000694772 [0,2,0,0,0,0|1,0,0]=3 7149 B12R0.206 C#CCCCCNC(=O)CCC=C 11a_100000706060_100000749702 [0,2,0,0,0,0|1,0,1]=4 7150 B12R0.206 C#CCCCCNC(=O)CCC=C 1626a_100000706060_100000749702 [0,2,0,0,0,0|1,0,1]=4 7151 B12R0.206 C#CCCCCNC(=O)CCC=C 240690a_100000706060_100000749702 [0,2,0,0,0,0|1,0,1]=4 7152 B12R0.206 C#CCCCCNC(=O)CCC=C 527a_100000706060_100000749702 [0,2,0,0,0,0|1,0,1]=4 7153 B12R0.206 C#CCCCCNC(=O)NCC=C 2708a_100000706060_100020586998 [0,2,0,0,0,0|1,0,1]=4 7154 B12R0.206 C#CCCCCNC(=O)NCC=C 273464a_100000706060_100020586998 [0,2,0,0,0,0|1,0,1]=4 7155 B12R0.206 C#CCCCCNC(=O)NCC=C 273464a_100020586998_100000706060 [0,2,0,0,0,0|1,0,1]=4 7156 B12R0.206 C#CCCCCNC(=O)NCC=C 512a_100000706060_100020586998 [0,2,0,0,0,0|1,0,1]=4 7157 B12R0.206 C#CCCCCNC(=O)NCC=C 512a_100020586998_100000706060 [0,2,0,0,0,0|1,0,1]=4 7158 B12R0.206 C#CCCCNCC(=O)OCC=C 34a_100000718082_100000033060 [0,2,0,0,0,0|0,0,1]=3 7159 B12R0.206 C#CCCCOCC(=O)NCC=C 7a_100000215630_100000183597 [0,2,0,0,0,0|1,0,1]=4 7160 B12R0.206 C#CCCCOCC(=O)OCC=C 34a_100000215630_100000033060 [0,2,0,0,0,0|0,0,1]=3 7161 B12R0.206 C#CCCCOCC(=O)OCC=C 7a_100000215630_100000033060 [0,2,0,0,0,0|0,0,1]=3 7162 B12R0.206 C#CCCCSCC(=O)NCC=C 62a_100000183597_100011215417 [0,2,0,0,0,0|1,0,1]=4 7163 B12R0.206 C#CCCCSCC(=O)NCC=C 62a_100011215417_100000183597 [0,2,0,0,0,0|1,0,1]=4 7164 B12R0.206 C#CCCCSCC(=O)OCC=C 62a_100000033060_100011215417 [0,2,0,0,0,0|0,0,1]=3 7165 B12R0.206 C#CCCCSCC(=O)OCC=C 62a_100011215417_100000033060 [0,2,0,0,0,0|0,0,1]=3 7166 B12R0.206 C#CCCSCCC(=O)NCC=C 62a_100000688953_100011222895 [0,2,0,0,0,0|1,0,1]=4 7167 B12R0.206 C#CCCSCCC(=O)NCC=C 62a_100011222895_100000688953 [0,2,0,0,0,0|1,0,1]=4 7168 B12R0.206 C=CC=CC(=O)CCCCCC#N 1458a_100016291481_100009813376 [0,2,0,0,0,0|1,0,1]=4 7169 B12R0.206 C=CC=CC(=O)CCCCCC=C 1458a_100016291481_100000700193 [0,2,0,0,0,0|1,0,1]=4 7170 B12R0.206 C=CC=CC(=O)CCCCCCC 1458a_100016291481_100000210614 [0,2,0,0,0,0|1,0,1]=4 7171 B12R0.206 C=CC=CC(=O)CCCCCCF 1458a_100016291481_100015922095 [0,2,0,0,0,0|1,0,1]=4 7172 B12R0.206 C=CC=CC(=O)CCCCCCO 1458a_100016291481_100000766143 [0,2,0,0,0,0|1,0,1]=4 7173 B12R0.206 C=CC=CC(=O)CCOCCCC 1458a_100016291481_100000743108 [0,2,0,0,0,0|1,0,1]=4 7174 B12R0.206 C=CC=CC(=O)CCOCCOC 1458a_100016291481_100000695917 [0,2,0,0,0,0|1,0,1]=4 7175 B12R0.206 C=CC=CC(=O)NCCCCCC 1626a_100000210581_100016291481 [0,2,0,0,0,0|1,0,1]=4 7176 B12R0.206 C=CC=CC(=O)NCCCOCC 1626a_100000210961_100016291481 [0,2,0,0,0,0|1,0,1]=4 7177 B12R0.206 C=CC=CC(=O)NCCOCCC 1626a_100161115042_100016291481 [0,2,0,0,0,0|1,0,1]=4 7178 B12R0.206 C=CC=CC(=O)NNCCCCC 22a_100000694160_100016291481 [0,2,0,0,0,0|1,0,1]=4 7179 B12R0.206 C=CCCC(=NNCCCCC)C 4a_100000694160_100000762624 [0,2,0,0,0,0|2,0,0]=4 7180 B12R0.206 C=CCCC(=O)C#CCCCCC 1458a_100011215388_100000754431 [0,2,0,0,0,0|1,0,0]=3 7181 B12R0.206 C=CCCC(=O)C/C=C/CCCC 1458a_200016282684_100000754431 [0,2,0,0,0,0|1,0,0]=3 7182 B12R0.206 C=CCCC(=O)C=CCCCCC 1458a_100016263427_100000754431 [0,2,0,0,0,0|1,0,0]=3 7183 B12R0.206 C=CCCC(=O)CCCCCC#N 1458a_100000749702_100009813376 [0,2,0,0,0,0|1,0,0]=3 7184 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000211969_100000754431 [0,2,0,0,0,0|1,0,0]=3 7185 B12R0.206 C=CCCC(=O)CCCCCCC 1458a_100000749702_100000210614 [0,2,0,0,0,0|1,0,0]=3 7186 B12R0.206 C=CCCC(=O)CCCCCCF 1458a_100000749702_100015922095 [0,2,0,0,0,0|1,0,0]=3 7187 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100000749702_100000766143 [0,2,0,0,0,0|1,0,0]=3 7188 B12R0.206 C=CCCC(=O)CCCCCCO 1458a_100011996774_100000754431 [0,2,0,0,0,0|1,0,0]=3 7189 B12R0.206 C=CCCC(=O)CCCCCOC 1458a_100011935119_100000754431 [0,2,0,0,0,0|1,0,0]=3 7190 B12R0.206 C=CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000754431 [0,2,0,0,0,0|2,0,0]=4 7191 B12R0.206 C=CCCC(=O)CCOCCCC 1458a_100000749702_100000743108 [0,2,0,0,0,0|1,0,0]=3 7192 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000745395_100000754431 [0,2,0,0,0,0|1,0,0]=3 7193 B12R0.206 C=CCCC(=O)CCOCCOC 1458a_100000749702_100000695917 [0,2,0,0,0,0|1,0,0]=3 7194 B12R0.206 C=CCCC(=O)NCCCCC#N 11a_100000751965_100000749702 [0,2,0,0,0,0|1,0,1]=4 7195 B12R0.206 C=CCCC(=O)NCCCCC#N 1626a_100000751965_100000749702 [0,2,0,0,0,0|1,0,1]=4 7196 B12R0.206 C=CCCC(=O)NCCCCC#N 240690a_100000751965_100000749702 [0,2,0,0,0,0|1,0,1]=4 7197 B12R0.206 C=CCCC(=O)NCCCCC#N 527a_100000751965_100000749702 [0,2,0,0,0,0|1,0,1]=4 7198 B12R0.206 C=CCCC(=O)NCCCCCC 11a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 7199 B12R0.206 C=CCCC(=O)NCCCCCC 1626a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 7200 B12R0.206 C=CCCC(=O)NCCCCCC 240690a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 7201 B12R0.206 C=CCCC(=O)NCCCCCC 527a_100000210581_100000749702 [0,2,0,0,0,0|1,0,0]=3 7202 B12R0.206 C=CCCC(=O)NCCCCCO 240690a_100000762737_100000749702 [0,2,0,0,0,0|1,0,0]=3 7203 B12R0.206 C=CCCC(=O)NCCCOCC 11a_100000210961_100000749702 [0,2,0,0,0,0|1,0,0]=3 7204 B12R0.206 C=CCCC(=O)NCCCOCC 1626a_100000210961_100000749702 [0,2,0,0,0,0|1,0,0]=3 7205 B12R0.206 C=CCCC(=O)NCCCOCC 240690a_100000210961_100000749702 [0,2,0,0,0,0|1,0,0]=3 7206 B12R0.206 C=CCCC(=O)NCCCOCC 527a_100000210961_100000749702 [0,2,0,0,0,0|1,0,0]=3 7207 B12R0.206 C=CCCC(=O)NCCOCCC 1626a_100161115042_100000749702 [0,2,0,0,0,0|1,0,0]=3 7208 B12R0.206 C=CCCC(=O)NCCOCCC 240690a_100161115042_100000749702 [0,2,0,0,0,0|1,0,0]=3 7209 B12R0.206 C=CCCC(=O)NCCOCCC 527a_100161115042_100000749702 [0,2,0,0,0,0|1,0,0]=3 7210 B12R0.206 C=CCCC(=O)NCCOCCO 240690a_100000211614_100000749702 [0,2,0,0,0,0|2,0,0]=4 7211 B12R0.206 C=CCCC(=O)NCCSCCC 11a_100020603323_100000749702 [0,2,0,0,0,0|1,0,0]=3 7212 B12R0.206 C=CCCC(=O)NCCSCCC 240690a_100020603323_100000749702 [0,2,0,0,0,0|1,0,0]=3 7213 B12R0.206 C=CCCC(=O)NCCSCCC 527a_100020603323_100000749702 [0,2,0,0,0,0|1,0,0]=3 7214 B12R0.206 C=CCCC(=O)NCCSCCO 240690a_100011219999_100000749702 [0,2,0,0,0,0|2,0,0]=4 7215 B12R0.206 C=CCCC(=O)NCCSCCO 527a_100011219999_100000749702 [0,2,0,0,0,0|2,0,0]=4 7216 B12R0.206 C=CCCC(=O)NNCCCCC 22a_100000694160_100000749702 [0,2,0,0,0,0|1,0,0]=3 7217 B12R0.206 C=CCCC(=O)NNCCCOC 22a_100025702787_100000749702 [0,2,0,0,0,0|2,0,0]=4 7218 B12R0.206 C=CCCC(=O)NNCCOCC 22a_100000732670_100000749702 [0,2,0,0,0,0|2,0,0]=4 7219 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100000749702_100000700193 [0,2,0,0,0,0|1,0,0]=3 7220 B12R0.206 C=CCCCCCC(=O)CCC=C 1458a_100011934241_100000754431 [0,2,0,0,0,0|1,0,0]=3 7221 B12R0.206 C=CCCCCCC(=O)NCC=C 1626a_100020586998_100011934241 [0,2,0,0,0,0|1,0,0]=3 7222 B12R0.206 C=CCCCCCC(=O)NCC=C 240690a_100020586998_100011934241 [0,2,0,0,0,0|1,0,0]=3 7223 B12R0.206 C=CCCCCCC(=O)NCC=C 527a_100020586998_100011934241 [0,2,0,0,0,0|1,0,0]=3 7224 B12R0.206 C=CCCCCNC(=O)CCC=C 11a_100000703577_100000749702 [0,2,0,0,0,0|1,0,1]=4 7225 B12R0.206 C=CCCCCNC(=O)CCC=C 1626a_100000703577_100000749702 [0,2,0,0,0,0|1,0,1]=4 7226 B12R0.206 C=CCCCCNC(=O)CCC=C 240690a_100000703577_100000749702 [0,2,0,0,0,0|1,0,1]=4 7227 B12R0.206 C=CCCCCNC(=O)CCC=C 527a_100000703577_100000749702 [0,2,0,0,0,0|1,0,1]=4 7228 B12R0.206 C=CCCCCNC(=O)NCC=C 2708a_100000703577_100020586998 [0,2,0,0,0,0|1,0,1]=4 7229 B12R0.206 C=CCCCCNC(=O)NCC=C 273464a_100000703577_100020586998 [0,2,0,0,0,0|1,0,1]=4 7230 B12R0.206 C=CCCCCNC(=O)NCC=C 273464a_100020586998_100000703577 [0,2,0,0,0,0|1,0,1]=4 7231 B12R0.206 C=CCCCCNC(=O)NCC=C 512a_100000703577_100020586998 [0,2,0,0,0,0|1,0,1]=4 7232 B12R0.206 C=CCCCCNC(=O)NCC=C 512a_100020586998_100000703577 [0,2,0,0,0,0|1,0,1]=4 7233 B12R0.206 C=CCCCNCC(=O)NCC=C 2230a_100000700776_100000183597 [0,2,0,0,0,0|1,0,1]=4 7234 B12R0.206 C=CCCCNCC(=O)OCC=C 2230a_100000700776_100000033060 [0,2,0,0,0,0|0,0,1]=3 7235 B12R0.206 C=CCCCNCC(=O)OCC=C 34a_100000700776_100000033060 [0,2,0,0,0,0|0,0,1]=3 7236 B12R0.206 C=CCCCOCC(=O)NCC=C 7a_100000758997_100000183597 [0,2,0,0,0,0|1,0,1]=4 7237 B12R0.206 C=CCCCOCC(=O)OCC=C 34a_100000758997_100000033060 [0,2,0,0,0,0|0,0,1]=3 7238 B12R0.206 C=CCCCOCC(=O)OCC=C 7a_100000758997_100000033060 [0,2,0,0,0,0|0,0,1]=3 7239 B12R0.206 C=CCCCSCC(=O)NCC=C 62a_100000183597_100000757094 [0,2,0,0,0,0|1,0,1]=4 7240 B12R0.206 C=CCCCSCC(=O)NCC=C 62a_100011713584_100000183597 [0,2,0,0,0,0|1,0,1]=4 7241 B12R0.206 C=CCCCSCC(=O)OCC=C 62a_100000033060_100000757094 [0,2,0,0,0,0|0,0,1]=3 7242 B12R0.206 C=CCCCSCC(=O)OCC=C 62a_100011713584_100000033060 [0,2,0,0,0,0|0,0,1]=3 7243 B12R0.206 C=CCCNCCC(=O)NCC=C 2230a_100015191253_100011222895 [0,2,0,0,0,0|1,0,1]=4 7244 B12R0.206 C=CCCSCCC(=O)NCC=C 62a_100000754431_100011222895 [0,2,0,0,0,0|1,0,1]=4 7245 B12R0.206 C=CCCSCCC(=O)NCC=C 62a_100011222895_100000754431 [0,2,0,0,0,0|1,0,1]=4 7246 B12R0.206 C=CCNC(=O)C#CCCCCC 240690a_100020586998_100011215388 [0,2,0,0,0,0|1,0,0]=3 7247 B12R0.206 C=CCNC(=O)C/C=C/CCCC 1626a_100020586998_200016282684 [0,2,0,0,0,0|1,0,0]=3 7248 B12R0.206 C=CCNC(=O)C/C=C/CCCC 240690a_100020586998_200016282684 [0,2,0,0,0,0|1,0,0]=3 7249 B12R0.206 C=CCNC(=O)C/C=C/CCCC 527a_100020586998_200016282684 [0,2,0,0,0,0|1,0,0]=3 7250 B12R0.206 C=CCNC(=O)C=CCCCCC 1626a_100020586998_100016263427 [0,2,0,0,0,0|1,0,0]=3 7251 B12R0.206 C=CCNC(=O)C=CCCCCC 240690a_100020586998_100016263427 [0,2,0,0,0,0|1,0,0]=3 7252 B12R0.206 C=CCNC(=O)CCCCCCC 1626a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 7253 B12R0.206 C=CCNC(=O)CCCCCCC 240690a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 7254 B12R0.206 C=CCNC(=O)CCCCCCC 527a_100020586998_100000211969 [0,2,0,0,0,0|1,0,0]=3 7255 B12R0.206 C=CCNC(=O)CCCCCCO 240690a_100020586998_100011996774 [0,2,0,0,0,0|1,0,0]=3 7256 B12R0.206 C=CCNC(=O)CCCCCOC 1626a_100020586998_100011935119 [0,2,0,0,0,0|1,0,0]=3 7257 B12R0.206 C=CCNC(=O)CCCCCOC 240690a_100020586998_100011935119 [0,2,0,0,0,0|1,0,0]=3 7258 B12R0.206 C=CCNC(=O)CCCCCOC 527a_100020586998_100011935119 [0,2,0,0,0,0|1,0,0]=3 7259 B12R0.206 C=CCNC(=O)CCCCN=[N+]=[N-] 240690a_100020586998_100000070148 [0,2,0,0,0,0|2,0,0]=4 7260 B12R0.206 C=CCNC(=O)CCCCN=[N+]=[N-] 527a_100020586998_100000070148 [0,2,0,0,0,0|2,0,0]=4 7261 B12R0.206 C=CCNC(=O)CCNCC#CC 2230a_100000685387_100011222895 [0,2,0,0,0,0|1,0,1]=4 7262 B12R0.206 C=CCNC(=O)CCNCCCC 2230a_100000102301_100011222895 [0,2,0,0,0,0|1,0,0]=3 7263 B12R0.206 C=CCNC(=O)CCNCCCC 7a_106832991798_100011222895 [0,2,0,0,0,0|1,0,0]=3 7264 B12R0.206 C=CCNC(=O)CCNCCCF 2230a_100015189416_100011222895 [0,2,0,0,0,0|1,0,0]=3 7265 B12R0.206 C=CCNC(=O)CCNCCOC 2230a_100000209980_100011222895 [0,2,0,0,0,0|1,0,0]=3 7266 B12R0.206 C=CCNC(=O)CCNCCSC 2230a_100020590264_100011222895 [0,2,0,0,0,0|1,0,0]=3 7267 B12R0.206 C=CCNC(=O)CCOCCCC 7a_100000210227_100011222895 [0,2,0,0,0,0|1,0,0]=3 7268 B12R0.206 C=CCNC(=O)CCOCCOC 1626a_100020586998_100000745395 [0,2,0,0,0,0|1,0,0]=3 7269 B12R0.206 C=CCNC(=O)CCOCCOC 240690a_100020586998_100000745395 [0,2,0,0,0,0|1,0,0]=3 7270 B12R0.206 C=CCNC(=O)CCOCCOC 527a_100020586998_100000745395 [0,2,0,0,0,0|1,0,0]=3 7271 B12R0.206 C=CCNC(=O)CCOCCSC 7a_100000230434_100011222895 [0,2,0,0,0,0|1,0,0]=3 7272 B12R0.206 C=CCNC(=O)CCSC/C=C/C 62a_100011222895_100102629194 [0,2,0,0,0,0|1,0,1]=4 7273 B12R0.206 C=CCNC(=O)CCSC/C=C/C 62a_100102629194_100011222895 [0,2,0,0,0,0|1,0,1]=4 7274 B12R0.206 C=CCNC(=O)CCSCC#CC 62a_100000748600_100011222895 [0,2,0,0,0,0|1,0,1]=4 7275 B12R0.206 C=CCNC(=O)CCSCC#CC 62a_100011222895_100000748600 [0,2,0,0,0,0|1,0,1]=4 7276 B12R0.206 C=CCNC(=O)CCSCC=CC 62a_100000070051_100011222895 [0,2,0,0,0,0|1,0,1]=4 7277 B12R0.206 C=CCNC(=O)CCSCC=CC 62a_100011222895_100000070051 [0,2,0,0,0,0|1,0,1]=4 7278 B12R0.206 C=CCNC(=O)CCSCCC#N 62a_100011215226_100011222895 [0,2,0,0,0,0|1,0,1]=4 7279 B12R0.206 C=CCNC(=O)CCSCCC#N 62a_100011222895_100011215226 [0,2,0,0,0,0|1,0,1]=4 7280 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100000210211_100011222895 [0,2,0,0,0,0|1,0,0]=3 7281 B12R0.206 C=CCNC(=O)CCSCCCC 62a_100011222895_100000210210 [0,2,0,0,0,0|1,0,0]=3 7282 B12R0.206 C=CCNC(=O)CCSCCCF 62a_100011222895_100011934791 [0,2,0,0,0,0|1,0,0]=3 7283 B12R0.206 C=CCNC(=O)CCSCCCF 62a_100011934791_100011222895 [0,2,0,0,0,0|1,0,0]=3 7284 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011215043_100011222895 [0,2,0,0,0,0|1,0,0]=3 7285 B12R0.206 C=CCNC(=O)CCSCCCO 62a_100011222895_100011215043 [0,2,0,0,0,0|1,0,0]=3 7286 B12R0.206 C=CCNC(=O)CCSCCOC 62a_100000233755_100011222895 [0,2,0,0,0,0|1,0,0]=3 7287 B12R0.206 C=CCNC(=O)CCSCCOC 62a_100011222895_100000233755 [0,2,0,0,0,0|1,0,0]=3 7288 B12R0.206 C=CCNC(=O)CCSCCSC 62a_100000212216_100011222895 [0,2,0,0,0,0|1,0,0]=3 7289 B12R0.206 C=CCNC(=O)CCSCCSC 62a_100011222895_100000751147 [0,2,0,0,0,0|1,0,0]=3 7290 B12R0.206 C=CCNC(=O)CCSCOCC 62a_100000739092_100011222895 [0,2,0,0,0,0|1,0,0]=3 7291 B12R0.206 C=CCNC(=O)CCSCOCC 62a_100011222895_100000739092 [0,2,0,0,0,0|1,0,0]=3 7292 B12R0.206 C=CCNC(=O)CNCCCCC 2230a_100000209983_100000183597 [0,2,0,0,0,0|1,0,0]=3 7293 B12R0.206 C=CCNC(=O)CNCCCCO 2230a_100000750430_100000183597 [0,2,0,0,0,0|1,0,0]=3 7294 B12R0.206 C=CCNC(=O)CNCCCSC 2230a_100000749238_100000183597 [0,2,0,0,0,0|1,0,0]=3 7295 B12R0.206 C=CCNC(=O)CNCCOCC 2230a_102516460346_100000183597 [0,2,0,0,0,0|1,0,0]=3 7296 B12R0.206 C=CCNC(=O)CNCCSCC 2230a_100000106463_100000183597 [0,2,0,0,0,0|1,0,0]=3 7297 B12R0.206 C=CCNC(=O)COCCCCC 7a_100000210253_100000183597 [0,2,0,0,0,0|1,0,0]=3 7298 B12R0.206 C=CCNC(=O)COCCCCCl 7a_100000210776_100000183597 [0,2,0,0,0,0|1,0,0]=3 7299 B12R0.206 C=CCNC(=O)COCCCCF 7a_100011995726_100000183597 [0,2,0,0,0,0|1,0,0]=3 7300 B12R0.206 C=CCNC(=O)COCCCSC 7a_100000690336_100000183597 [0,2,0,0,0,0|1,0,0]=3 7301 B12R0.206 C=CCNC(=O)COCCOCC 7a_100000210136_100000183597 [0,2,0,0,0,0|1,0,0]=3 7302 B12R0.206 C=CCNC(=O)COCCSCC 7a_100000212035_100000183597 [0,2,0,0,0,0|1,0,0]=3 7303 B12R0.206 C=CCNC(=O)CSC/C=C\CC 62a_100000183597_100103147603 [0,2,0,0,0,0|1,0,1]=4 7304 B12R0.206 C=CCNC(=O)CSC/C=C\CC 62a_100103147603_100000183597 [0,2,0,0,0,0|1,0,1]=4 7305 B12R0.206 C=CCNC(=O)CSCC#CCC 62a_100000183597_100009813939 [0,2,0,0,0,0|1,0,1]=4 7306 B12R0.206 C=CCNC(=O)CSCC#CCC 62a_100009813939_100000183597 [0,2,0,0,0,0|1,0,1]=4 7307 B12R0.206 C=CCNC(=O)CSCCCC#N 62a_100000183597_100000687738 [0,2,0,0,0,0|1,0,1]=4 7308 B12R0.206 C=CCNC(=O)CSCCCC#N 62a_100000687738_100000183597 [0,2,0,0,0,0|1,0,1]=4 7309 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_100000183597_200011292268 [0,2,0,0,0,0|1,0,1]=4 7310 B12R0.206 C=CCNC(=O)CSCCCC=O 62a_200011292268_100000183597 [0,2,0,0,0,0|1,0,1]=4 7311 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000183597_100000210326 [0,2,0,0,0,0|1,0,0]=3 7312 B12R0.206 C=CCNC(=O)CSCCCCC 62a_100000210326_100000183597 [0,2,0,0,0,0|1,0,0]=3 7313 B12R0.206 C=CCNC(=O)CSCCCCF 62a_100000183597_100000729493 [0,2,0,0,0,0|1,0,0]=3 7314 B12R0.206 C=CCNC(=O)CSCCCCF 62a_100000729493_100000183597 [0,2,0,0,0,0|1,0,0]=3 7315 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000183597_100000210776 [0,2,0,0,0,0|1,0,0]=3 7316 B12R0.206 C=CCNC(=O)CSCCCCO 62a_100000210776_100000183597 [0,2,0,0,0,0|1,0,0]=3 7317 B12R0.206 C=CCNC(=O)CSCCCOC 62a_100000183597_100000709357 [0,2,0,0,0,0|1,0,0]=3 7318 B12R0.206 C=CCNC(=O)CSCCCOC 62a_100000709357_100000183597 [0,2,0,0,0,0|1,0,0]=3 7319 B12R0.206 C=CCNC(=O)CSCCOCC 62a_100000183597_100011215890 [0,2,0,0,0,0|1,0,0]=3 7320 B12R0.206 C=CCNC(=O)CSCCOCC 62a_100000210147_100000183597 [0,2,0,0,0,0|1,0,0]=3 7321 B12R0.206 C=CCNC(=O)CSCCSCC 62a_100000183597_100000757381 [0,2,0,0,0,0|1,0,0]=3 7322 B12R0.206 C=CCNC(=O)CSCCSCC 62a_100000757381_100000183597 [0,2,0,0,0,0|1,0,0]=3 7323 B12R0.206 C=CCNC(=O)NCCCCC#N 2708a_100000751965_100020586998 [0,2,0,0,0,0|1,0,1]=4 7324 B12R0.206 C=CCNC(=O)NCCCCC#N 273464a_100000751965_100020586998 [0,2,0,0,0,0|1,0,1]=4 7325 B12R0.206 C=CCNC(=O)NCCCCC#N 273464a_100020586998_100000751965 [0,2,0,0,0,0|1,0,1]=4 7326 B12R0.206 C=CCNC(=O)NCCCCC#N 512a_100000751965_100020586998 [0,2,0,0,0,0|1,0,1]=4 7327 B12R0.206 C=CCNC(=O)NCCCCC#N 512a_100020586998_100000751965 [0,2,0,0,0,0|1,0,1]=4 7328 B12R0.206 C=CCNC(=O)NCCCCCC 2708a_100000210581_100020586998 [0,2,0,0,0,0|1,0,0]=3 7329 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100000210581_100020586998 [0,2,0,0,0,0|1,0,0]=3 7330 B12R0.206 C=CCNC(=O)NCCCCCC 273464a_100020586998_100000210581 [0,2,0,0,0,0|1,0,0]=3 7331 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100000210581_100020586998 [0,2,0,0,0,0|1,0,0]=3 7332 B12R0.206 C=CCNC(=O)NCCCCCC 512a_100020586998_100000210581 [0,2,0,0,0,0|1,0,0]=3 7333 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100000762737_100020586998 [0,2,0,0,0,0|1,0,0]=3 7334 B12R0.206 C=CCNC(=O)NCCCCCO 273464a_100020586998_100000762737 [0,2,0,0,0,0|1,0,0]=3 7335 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100000762737_100020586998 [0,2,0,0,0,0|1,0,0]=3 7336 B12R0.206 C=CCNC(=O)NCCCCCO 512a_100020586998_100000762737 [0,2,0,0,0,0|1,0,0]=3 7337 B12R0.206 C=CCNC(=O)NCCCOCC 2708a_100000210961_100020586998 [0,2,0,0,0,0|1,0,0]=3 7338 B12R0.206 C=CCNC(=O)NCCCOCC 273464a_100000210961_100020586998 [0,2,0,0,0,0|1,0,0]=3 7339 B12R0.206 C=CCNC(=O)NCCCOCC 273464a_100020586998_100000210961 [0,2,0,0,0,0|1,0,0]=3 7340 B12R0.206 C=CCNC(=O)NCCCOCC 512a_100000210961_100020586998 [0,2,0,0,0,0|1,0,0]=3 7341 B12R0.206 C=CCNC(=O)NCCCOCC 512a_100020586998_100000210961 [0,2,0,0,0,0|1,0,0]=3 7342 B12R0.206 C=CCNC(=O)NCCOCCC 2708a_100161115042_100020586998 [0,2,0,0,0,0|1,0,0]=3 7343 B12R0.206 C=CCNC(=O)NCCOCCC 273464a_100020586998_100161115042 [0,2,0,0,0,0|1,0,0]=3 7344 B12R0.206 C=CCNC(=O)NCCOCCC 273464a_100161115042_100020586998 [0,2,0,0,0,0|1,0,0]=3 7345 B12R0.206 C=CCNC(=O)NCCOCCC 512a_100020586998_100161115042 [0,2,0,0,0,0|1,0,0]=3 7346 B12R0.206 C=CCNC(=O)NCCOCCC 512a_100161115042_100020586998 [0,2,0,0,0,0|1,0,0]=3 7347 B12R0.206 C=CCNC(=O)NCCOCCO 273464a_100000211614_100020586998 [0,2,0,0,0,0|2,0,0]=4 7348 B12R0.206 C=CCNC(=O)NCCOCCO 273464a_100020586998_100000211614 [0,2,0,0,0,0|2,0,0]=4 7349 B12R0.206 C=CCNC(=O)NCCOCCO 512a_100000211614_100020586998 [0,2,0,0,0,0|2,0,0]=4 7350 B12R0.206 C=CCNC(=O)NCCSCCC 2708a_100020603323_100020586998 [0,2,0,0,0,0|1,0,0]=3 7351 B12R0.206 C=CCNC(=O)NCCSCCC 273464a_100020586998_100020603323 [0,2,0,0,0,0|1,0,0]=3 7352 B12R0.206 C=CCNC(=O)NCCSCCC 273464a_100020603323_100020586998 [0,2,0,0,0,0|1,0,0]=3 7353 B12R0.206 C=CCNC(=O)NCCSCCC 512a_100020586998_100020603323 [0,2,0,0,0,0|1,0,0]=3 7354 B12R0.206 C=CCNC(=O)NCCSCCC 512a_100020603323_100020586998 [0,2,0,0,0,0|1,0,0]=3 7355 B12R0.206 C=CCNC(=O)NCCSCCO 273464a_100011219999_100020586998 [0,2,0,0,0,0|2,0,0]=4 7356 B12R0.206 C=CCNC(=O)NCCSCCO 273464a_100020586998_100011219999 [0,2,0,0,0,0|2,0,0]=4 7357 B12R0.206 C=CCNC(=O)NCCSCCO 512a_100011219999_100020586998 [0,2,0,0,0,0|2,0,0]=4 7358 B12R0.206 C=CCNC(=O)NCCSCCO 512a_100020586998_100011219999 [0,2,0,0,0,0|2,0,0]=4 7359 B12R0.206 C=CCNC(=O)NNCCCCC 273464a_100020586998_100000694160 [0,2,0,0,0,0|1,0,0]=3 7360 B12R0.206 C=CCNC(=O)NNCCCCC 512a_100000694160_100020586998 [0,2,0,0,0,0|1,0,0]=3 7361 B12R0.206 C=CCNC(=O)NNCCCCC 512a_100020586998_100000694160 [0,2,0,0,0,0|1,0,0]=3 7362 B12R0.206 C=CCNC(=O)NNCCCOC 273464a_100020586998_100025702787 [0,2,0,0,0,0|2,0,0]=4 7363 B12R0.206 C=CCNC(=O)NNCCCOC 512a_100020586998_100025702787 [0,2,0,0,0,0|2,0,0]=4 7364 B12R0.206 C=CCNC(=O)NNCCOCC 273464a_100020586998_100000732670 [0,2,0,0,0,0|2,0,0]=4 7365 B12R0.206 C=CCNC(=O)NNCCOCC 512a_100000732670_100020586998 [0,2,0,0,0,0|2,0,0]=4 7366 B12R0.206 C=CCNC(=O)NNCCOCC 512a_100020586998_100000732670 [0,2,0,0,0,0|2,0,0]=4 7367 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|0,0,0]=2 7368 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,2,0,0,0,0|0,0,0]=2 7369 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,2,0,0,0,0|0,0,0]=2 7370 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,2,0,0,0,0|0,0,0]=2 7371 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,2,0,0,0,0|0,0,0]=2 7372 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,2,0,0,0,0|0,0,0]=2 7373 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,2,0,0,0,0|0,0,0]=2 7374 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,2,0,0,0,0|0,0,0]=2 7375 B12R0.206 C=CCOC(=O)COC/C=C\CC 34a_100016268518_100000033060 [0,2,0,0,0,0|0,0,1]=3 7376 B12R0.206 C=CCOC(=O)COCC#CCC 34a_100000032950_100000033060 [0,2,0,0,0,0|0,0,1]=3 7377 B12R0.206 C=CCOC(=O)COCC#CCCl 34a_200000047223_100000033060 [0,2,0,0,0,0|0,0,2]=4 7378 B12R0.206 C=CCOC(=O)COCC/C=C/C 34a_100016278192_100000033060 [0,2,0,0,0,0|0,0,1]=3 7379 B12R0.206 C=CCOC(=O)COCCC#CC 34a_100000750427_100000033060 [0,2,0,0,0,0|0,0,1]=3 7380 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,2,0,0,0,0|0,0,0]=2 7381 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|0,0,0]=2 7382 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|0,0,0]=2 7383 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,2,0,0,0,0|0,0,0]=2 7384 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,2,0,0,0,0|0,0,0]=2 7385 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,2,0,0,0,0|0,0,0]=2 7386 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,2,0,0,0,0|0,0,0]=2 7387 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,2,0,0,0,0|0,0,0]=2 7388 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,2,0,0,0,0|0,0,0]=2 7389 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,2,0,0,0,0|0,0,0]=2 7390 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,2,0,0,0,0|0,0,0]=2 7391 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,2,0,0,0,0|0,0,0]=2 7392 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,2,0,0,0,0|0,0,0]=2 7393 B12R0.206 C=CCOC(=O)COCCOC=C 34a_100000033082_100000033060 [0,2,0,0,0,0|0,0,2]=4 7394 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,2,0,0,0,0|0,0,0]=2 7395 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,2,0,0,0,0|0,0,0]=2 7396 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,2,0,0,0,0|0,0,0]=2 7397 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,2,0,0,0,0|0,0,0]=2 7398 B12R0.206 C=CCOC(=O)CSC/C=C\CC 62a_100000033060_100103147603 [0,2,0,0,0,0|0,0,1]=3 7399 B12R0.206 C=CCOC(=O)CSC/C=C\CC 62a_100103147603_100000033060 [0,2,0,0,0,0|0,0,1]=3 7400 B12R0.206 C=CCOC(=O)CSCC#CCC 62a_100000033060_100009813939 [0,2,0,0,0,0|0,0,1]=3 7401 B12R0.206 C=CCOC(=O)CSCC#CCC 62a_100009813939_100000033060 [0,2,0,0,0,0|0,0,1]=3 7402 B12R0.206 C=CCOC(=O)CSCC#CCO 62a_100000033060_200000047223 [0,2,0,0,0,0|0,0,2]=4 7403 B12R0.206 C=CCOC(=O)CSCC#CCO 62a_200000047223_100000033060 [0,2,0,0,0,0|0,0,2]=4 7404 B12R0.206 C=CCOC(=O)CSCCCC#N 62a_100000033060_100000687738 [0,2,0,0,0,0|0,0,1]=3 7405 B12R0.206 C=CCOC(=O)CSCCCC#N 62a_100000687738_100000033060 [0,2,0,0,0,0|0,0,1]=3 7406 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_100000033060_200011292268 [0,2,0,0,0,0|0,0,1]=3 7407 B12R0.206 C=CCOC(=O)CSCCCC=O 62a_200011292268_100000033060 [0,2,0,0,0,0|0,0,1]=3 7408 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|0,0,0]=2 7409 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|0,0,0]=2 7410 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,2,0,0,0,0|0,0,0]=2 7411 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,2,0,0,0,0|0,0,0]=2 7412 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,2,0,0,0,0|0,0,0]=2 7413 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,2,0,0,0,0|0,0,0]=2 7414 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,2,0,0,0,0|0,0,0]=2 7415 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,2,0,0,0,0|0,0,0]=2 7416 B12R0.206 C=CCOC(=O)CSCCOC=C 62a_100000033060_100000039644 [0,2,0,0,0,0|0,0,2]=4 7417 B12R0.206 C=CCOC(=O)CSCCOC=C 62a_100000039644_100000033060 [0,2,0,0,0,0|0,0,2]=4 7418 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,2,0,0,0,0|0,0,0]=2 7419 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,2,0,0,0,0|0,0,0]=2 7420 B12R0.206 C=CCOC(=O)CSCCSC#N 62a_100000033060_100000034367 [0,2,0,0,0,0|1,0,1]=4 7421 B12R0.206 C=CCOC(=O)CSCCSC#N 62a_100000034367_100000033060 [0,2,0,0,0,0|1,0,1]=4 7422 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,2,0,0,0,0|0,0,0]=2 7423 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,2,0,0,0,0|0,0,0]=2 7424 B12R0.206 C=CCOC(C)CCCCCCC 34a_200000210373_200011218727 [0,2,0,0,0,0|1,0,1]=4 7425 B12R0.206 C=CCOC(C)CCCCCCC 34a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 7426 B12R0.206 C=CCOC(C)CCCCCCC 7a_200011215852_100015514636 [0,2,0,0,0,0|1,0,1]=4 7427 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|1,0,1]=4 7428 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|1,0,1]=4 7429 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|1,0,1]=4 7430 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|1,0,1]=4 7431 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|1,0,1]=4 7432 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|1,0,1]=4 7433 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|0,0,2]=4 7434 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|0,0,2]=4 7435 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|0,0,2]=4 7436 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|0,0,2]=4 7437 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|0,0,2]=4 7438 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|0,0,2]=4 7439 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|0,0,2]=4 7440 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|0,0,2]=4 7441 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|0,0,2]=4 7442 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|0,0,2]=4 7443 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|0,0,2]=4 7444 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|0,0,2]=4 7445 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|0,0,2]=4 7446 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|0,0,2]=4 7447 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|0,0,2]=4 7448 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|0,0,2]=4 7449 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|0,0,2]=4 7450 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|0,0,2]=4 7451 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|0,0,2]=4 7452 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|0,0,2]=4 7453 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|0,0,2]=4 7454 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|0,0,2]=4 7455 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|0,0,2]=4 7456 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|0,0,2]=4 7457 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|0,0,2]=4 7458 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|0,0,2]=4 7459 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|0,0,2]=4 7460 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|0,0,2]=4 7461 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|0,0,2]=4 7462 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|0,0,2]=4 7463 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|0,0,2]=4 7464 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|0,0,2]=4 7465 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|0,0,2]=4 7466 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|0,0,2]=4 7467 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|0,0,2]=4 7468 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|0,0,2]=4 7469 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|0,0,2]=4 7470 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|0,0,2]=4 7471 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|0,0,2]=4 7472 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|0,0,2]=4 7473 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|0,0,2]=4 7474 B12R0.585 C=CCNS(=O)(=O)CCCCCC 270084a_100020586998_100011361803 [0,2,0,0,0,0|2,0,0]=4 7475 B12R0.585 C=CCNS(=O)(=O)CCCCCC 274078a_100020586998_100011361803 [0,2,0,0,0,0|2,0,0]=4 7476 B12R0.585 C=CCOC(C)(C)CCCCCBr 7a_100010402123_100015514636 [0,2,0,0,0,0|1,0,1]=4 7477 B12R0.585 C=CCOC(C)(C)CCCCCC 7a_200011995690_100015514636 [0,2,0,0,0,0|1,0,1]=4 7478 B12R0.117 C#CC(CCCCC)OC/C=C/C 34a_100011216489_100102629194 [0,2,0,0,0,0|1,0,1]=4 7479 B12R0.117 C#CC(CCCCC)OC/C=C/C 7a_100011216489_100102629194 [0,2,0,0,0,0|1,0,1]=4 7480 B12R0.117 C#CC(CCCCC)OCC=CC 34a_100011216489_100000070051 [0,2,0,0,0,0|1,0,1]=4 7481 B12R0.117 C#CC(CCCCC)OCC=CC 7a_100011216489_100000070051 [0,2,0,0,0,0|1,0,1]=4 7482 B12R0.117 C#CC(CCCCC)OCCC=C 34a_100011216489_100000754431 [0,2,0,0,0,0|1,0,1]=4 7483 B12R0.117 C#CC(CCCCC)OCCC=C 7a_100011216489_100000754431 [0,2,0,0,0,0|1,0,1]=4 7484 B12R0.117 C/C=C/COC(CC)CCCCC 34a_100011215405_100102629194 [0,2,0,0,0,0|1,0,1]=4 7485 B12R0.117 C/C=C/COC(CC)CCCCC 7a_100011215405_100102629194 [0,2,0,0,0,0|1,0,1]=4 7486 B12R0.117 C=CC(CCCCC)OC/C=C/C 34a_100011216863_100102629194 [0,2,0,0,0,0|1,0,1]=4 7487 B12R0.117 C=CC(CCCCC)OC/C=C/C 7a_100011216863_100102629194 [0,2,0,0,0,0|1,0,1]=4 7488 B12R0.117 C=CC(CCCCC)OCC=CC 34a_100011216863_100000070051 [0,2,0,0,0,0|1,0,1]=4 7489 B12R0.117 C=CC(CCCCC)OCC=CC 7a_100011216863_100000070051 [0,2,0,0,0,0|1,0,1]=4 7490 B12R0.117 C=CCCOC(C=C)CCCCC 34a_100011216863_100000754431 [0,2,0,0,0,0|1,0,1]=4 7491 B12R0.117 C=CCCOC(C=C)CCCCC 7a_100011216863_100000754431 [0,2,0,0,0,0|1,0,1]=4 7492 B12R0.117 C=CCCOC(CC)CCCCC 34a_100011215405_100000754431 [0,2,0,0,0,0|1,0,1]=4 7493 B12R0.117 C=CCCOC(CC)CCCCC 7a_100011215405_100000754431 [0,2,0,0,0,0|1,0,1]=4 7494 B12R0.117 CC=CCOC(CC)CCCCC 34a_100011215405_100000070051 [0,2,0,0,0,0|1,0,1]=4 7495 B12R0.117 CC=CCOC(CC)CCCCC 7a_100011215405_100000070051 [0,2,0,0,0,0|1,0,1]=4 7496 B12R0.233 C#CCOCC(=O)CCCC(C)C 1458a_100011251226_100011214892 [0,2,0,0,0,0|0,0,2]=4 7497 B12R0.233 C#CCOCC(=O)CCCC(C)O 1458a_100011251226_200000718107 [0,2,0,0,0,0|0,0,2]=4 7498 B12R0.233 C/C=C/C=CC(=O)CCCC(C)C 1458a_100000185730_100011214892 [0,2,0,0,0,0|1,0,1]=4 7499 B12R0.233 C/C=C/C=CC(=O)CCCC(C)O 1458a_100000185730_200000718107 [0,2,0,0,0,0|1,0,1]=4 7500 B12R0.233 C/C=C/COC(C)CCCC(C)C 34a_200011218570_100102629194 [0,2,0,0,0,0|1,0,1]=4 7501 B12R0.233 C/C=C/COC(C)CCCC(C)C 7a_200011218570_100102629194 [0,2,0,0,0,0|1,0,1]=4 7502 B12R0.233 C=C(Br)CCOC(C)CCCCC 34a_100009813270_200011218191 [0,2,0,0,0,0|1,0,1]=4 7503 B12R0.233 C=C(C)C=NNC(=O)CCCCC 4a_100000189784_100000210575 [0,2,0,0,0,0|1,0,1]=4 7504 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,2,0,0,0,0|1,0,1]=4 7505 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,2,0,0,0,0|1,0,1]=4 7506 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,2,0,0,0,0|1,0,1]=4 7507 B12R0.233 C=C(C)CNNC(=O)CCCCC 22a_100000729518_100000212188 [0,2,0,0,0,0|1,0,0]=3 7508 B12R0.233 C=C(C)CNNC(=O)CCCOC 22a_100000729518_100000741012 [0,2,0,0,0,0|2,0,0]=4 7509 B12R0.233 C=C(C)CNNC(=O)CCCSC 22a_100000729518_100000173376 [0,2,0,0,0,0|2,0,0]=4 7510 B12R0.233 C=C(C)CNNC(=O)CCOCC 22a_100000729518_100000749530 [0,2,0,0,0,0|2,0,0]=4 7511 B12R0.233 C=C(C)CNNC(=O)CCSCC 22a_100000729518_100000230768 [0,2,0,0,0,0|2,0,0]=4 7512 B12R0.233 C=C(C)CNNC(=O)COCCC 22a_100000729518_100000745993 [0,2,0,0,0,0|2,0,0]=4 7513 B12R0.233 C=C(C)CNNC(=O)CSCCC 22a_100000729518_100000217233 [0,2,0,0,0,0|2,0,0]=4 7514 B12R0.233 C=C(C)CNNC(=O)NCCCC 273464a_100000102301_100000729518 [0,2,0,0,0,0|2,0,0]=4 7515 B12R0.233 C=C(C)CNNC(=O)NCCCC 512a_100000102301_100000729518 [0,2,0,0,0,0|2,0,0]=4 7516 B12R0.233 C=C(C)CNNC(=O)NCCCC 512a_100000729518_100000102301 [0,2,0,0,0,0|2,0,0]=4 7517 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,2,0,0,0,0|0,0,0]=2 7518 B12R0.233 C=C(C)COCC(=O)NCCCC 34a_100000210245_100000182744 [0,2,0,0,0,0|1,0,0]=3 7519 B12R0.233 C=C(C)COCC(=O)NCCOC 34a_100000210245_100000183275 [0,2,0,0,0,0|2,0,0]=4 7520 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,2,0,0,0,0|1,0,0]=3 7521 B12R0.233 C=C(C)COCC(=O)OCCOC 34a_100000210245_200000040189 [0,2,0,0,0,0|2,0,0]=4 7522 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,2,0,0,0,0|0,1,0]=3 7523 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,2,0,0,0,0|0,1,0]=3 7524 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000182744_100000211660 [0,2,0,0,0,0|1,1,0]=4 7525 B12R0.233 C=C(C)CSCC(=O)NCCCC 62a_100000748629_100000182744 [0,2,0,0,0,0|1,1,0]=4 7526 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,2,0,0,0,0|1,1,0]=4 7527 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,2,0,0,0,0|1,1,0]=4 7528 B12R0.233 C=C(F)COCC(=O)CCCCC 34a_200010262243_200012276598 [0,2,0,0,0,0|0,0,0]=2 7529 B12R0.233 C=C(F)COCC(=O)NCCCC 34a_200010262243_100000182744 [0,2,0,0,0,0|1,0,0]=3 7530 B12R0.233 C=C(F)COCC(=O)NCCOC 34a_200010262243_100000183275 [0,2,0,0,0,0|2,0,0]=4 7531 B12R0.233 C=C(F)COCC(=O)OCCCC 34a_200010262243_100000211628 [0,2,0,0,0,0|1,0,0]=3 7532 B12R0.233 C=C(F)COCC(=O)OCCOC 34a_200010262243_200000040189 [0,2,0,0,0,0|2,0,0]=4 7533 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_100000042424_200012276598 [0,2,0,0,0,0|0,1,0]=3 7534 B12R0.233 C=C(F)CSCC(=O)CCCCC 62a_200012276598_100000042424 [0,2,0,0,0,0|0,1,0]=3 7535 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000042424_100000182744 [0,2,0,0,0,0|1,1,0]=4 7536 B12R0.233 C=C(F)CSCC(=O)NCCCC 62a_100000182744_100000042424 [0,2,0,0,0,0|1,1,0]=4 7537 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000042424_100000211628 [0,2,0,0,0,0|1,1,0]=4 7538 B12R0.233 C=C(F)CSCC(=O)OCCCC 62a_100000211628_100000042424 [0,2,0,0,0,0|1,1,0]=4 7539 B12R0.233 C=CCCCC(=O)CCCC(=O)C 1458a_100000766728_100011215641 [0,2,0,0,0,0|1,0,1]=4 7540 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [0,2,0,0,0,0|1,0,0]=3 7541 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [0,2,0,0,0,0|1,0,0]=3 7542 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,2,0,0,0,0|1,0,0]=3 7543 B12R0.233 C=CCCCC(=O)CCCN(C)C 1458a_100000766728_100000695564 [0,2,0,0,0,0|2,0,0]=4 7544 B12R0.233 C=CCCCC(=O)CCOC(C)C 1458a_100000766728_100000211751 [0,2,0,0,0,0|2,0,0]=4 7545 B12R0.233 C=CCCCC(=O)CCSC(C)C 1458a_100000766728_100000730970 [0,2,0,0,0,0|2,0,0]=4 7546 B12R0.233 C=CCCCC(=O)COCC(C)C 1458a_100011223364_100000757094 [0,2,0,0,0,0|2,0,0]=4 7547 B12R0.233 C=CCCCC(=O)NCCC(C)C 11a_100000210545_100000766728 [0,2,0,0,0,0|2,0,0]=4 7548 B12R0.233 C=CCCCC(=O)NCCC(C)C 1626a_100000210545_100000766728 [0,2,0,0,0,0|2,0,0]=4 7549 B12R0.233 C=CCCCC(=O)NCCC(C)C 240690a_100000210545_100000766728 [0,2,0,0,0,0|2,0,0]=4 7550 B12R0.233 C=CCCCC(=O)NCCC(C)C 527a_100000210545_100000766728 [0,2,0,0,0,0|2,0,0]=4 7551 B12R0.233 C=CCCCC(=O)NCCC(C)O 240690a_200000755665_100000766728 [0,2,0,0,0,0|2,0,0]=4 7552 B12R0.233 C=CCCCC(=O)NCCC(C)O 527a_200000755665_100000766728 [0,2,0,0,0,0|2,0,0]=4 7553 B12R0.233 C=CCCNC(=O)CCCC(C)C 11a_100015191253_100011216857 [0,2,0,0,0,0|1,0,0]=3 7554 B12R0.233 C=CCCNC(=O)CCCC(C)C 1626a_100015191253_100011216857 [0,2,0,0,0,0|1,0,0]=3 7555 B12R0.233 C=CCCNC(=O)CCCC(C)C 240690a_100015191253_100011216857 [0,2,0,0,0,0|1,0,0]=3 7556 B12R0.233 C=CCCNC(=O)CCCC(C)C 527a_100015191253_100011216857 [0,2,0,0,0,0|1,0,0]=3 7557 B12R0.233 C=CCCNC(=O)CCCC(C)O 1626a_100015191253_100000761597 [0,2,0,0,0,0|1,0,0]=3 7558 B12R0.233 C=CCCNC(=O)CCCC(C)O 527a_100015191253_100000761597 [0,2,0,0,0,0|1,0,0]=3 7559 B12R0.233 C=CCCNC(=O)CCCN(C)C 11a_100015191253_100000740757 [0,2,0,0,0,0|2,0,0]=4 7560 B12R0.233 C=CCCNC(=O)CCCN(C)C 240690a_100015191253_100000740757 [0,2,0,0,0,0|2,0,0]=4 7561 B12R0.233 C=CCCNC(=O)COCC(C)C 11a_100015191253_100011223364 [0,2,0,0,0,0|2,0,0]=4 7562 B12R0.233 C=CCCNC(=O)COCC(C)C 1626a_100015191253_100011223364 [0,2,0,0,0,0|2,0,0]=4 7563 B12R0.233 C=CCCNC(=O)COCC(C)C 240690a_100015191253_100011223364 [0,2,0,0,0,0|2,0,0]=4 7564 B12R0.233 C=CCCNC(=O)COCC(C)C 527a_100015191253_100011223364 [0,2,0,0,0,0|2,0,0]=4 7565 B12R0.233 C=CCCNC(=O)NCCC(C)C 2708a_100000210545_100015191253 [0,2,0,0,0,0|2,0,0]=4 7566 B12R0.233 C=CCCNC(=O)NCCC(C)C 2708a_100015191253_100000210545 [0,2,0,0,0,0|2,0,0]=4 7567 B12R0.233 C=CCCNC(=O)NCCC(C)C 273464a_100000210545_100015191253 [0,2,0,0,0,0|2,0,0]=4 7568 B12R0.233 C=CCCNC(=O)NCCC(C)C 273464a_100015191253_100000210545 [0,2,0,0,0,0|2,0,0]=4 7569 B12R0.233 C=CCCNC(=O)NCCC(C)C 512a_100000210545_100015191253 [0,2,0,0,0,0|2,0,0]=4 7570 B12R0.233 C=CCCNC(=O)NCCC(C)C 512a_100015191253_100000210545 [0,2,0,0,0,0|2,0,0]=4 7571 B12R0.233 C=CCCNC(=O)NCCC(C)O 2708a_100015191253_200000755665 [0,2,0,0,0,0|2,0,0]=4 7572 B12R0.233 C=CCCNC(=O)NCCC(C)O 273464a_200000755665_100015191253 [0,2,0,0,0,0|2,0,0]=4 7573 B12R0.233 C=CCCNC(=O)NCCC(C)O 512a_100015191253_200000755665 [0,2,0,0,0,0|2,0,0]=4 7574 B12R0.233 C=CCCNC(=O)NCCC(C)O 512a_200000755665_100015191253 [0,2,0,0,0,0|2,0,0]=4 7575 B12R0.233 C=CCCOC(C)CCCC(C)C 34a_200011218570_100000754431 [0,2,0,0,0,0|1,0,1]=4 7576 B12R0.233 C=CCCOC(C)CCCC(C)C 7a_200011218570_100000754431 [0,2,0,0,0,0|1,0,1]=4 7577 B12R0.233 C=CCNNC(=O)CCCC(C)C 22a_100020588587_100011216857 [0,2,0,0,0,0|1,0,0]=3 7578 B12R0.233 C=CCNNC(=O)CCCC(C)O 22a_100020588587_100000761597 [0,2,0,0,0,0|1,0,0]=3 7579 B12R0.233 C=CCNNC(=O)CCCN(C)C 22a_100020588587_100000740757 [0,2,0,0,0,0|2,0,0]=4 7580 B12R0.233 C=CCNNC(=O)COCC(C)C 22a_100020588587_100011223364 [0,2,0,0,0,0|2,0,0]=4 7581 B12R0.233 C=CCNNC(=O)NCCC(C)C 273464a_100000210545_100020588587 [0,2,0,0,0,0|2,0,0]=4 7582 B12R0.233 C=CCNNC(=O)NCCC(C)C 512a_100000210545_100020588587 [0,2,0,0,0,0|2,0,0]=4 7583 B12R0.233 C=CCNNC(=O)NCCC(C)C 512a_100020588587_100000210545 [0,2,0,0,0,0|2,0,0]=4 7584 B12R0.233 C=CCNNC(=O)NCCC(C)O 273464a_200000755665_100020588587 [0,2,0,0,0,0|2,0,0]=4 7585 B12R0.233 C=CCNNC(=O)NCCC(C)O 512a_100020588587_200000755665 [0,2,0,0,0,0|2,0,0]=4 7586 B12R0.233 C=CCNNC(=O)NCCC(C)O 512a_200000755665_100020588587 [0,2,0,0,0,0|2,0,0]=4 7587 B12R0.233 C=CCSCC(=O)CCCC(=O)C 1458a_100000230395_100011215641 [0,2,0,0,0,0|0,1,1]=4 7588 B12R0.233 C=CCSCC(=O)CCCC(C)C 1458a_100000230395_100011214892 [0,2,0,0,0,0|0,1,0]=3 7589 B12R0.233 C=CCSCC(=O)CCCC(C)O 1458a_100000230395_200000718107 [0,2,0,0,0,0|0,1,0]=3 7590 B12R0.233 C=CCSCC(=O)CCCN(C)C 1458a_100000230395_100000695564 [0,2,0,0,0,0|1,1,0]=4 7591 B12R0.233 C=CCSCC(=O)CCOC(C)C 1458a_100000230395_100000211751 [0,2,0,0,0,0|1,1,0]=4 7592 B12R0.233 C=CCSCC(=O)CCSC(C)C 1458a_100000230395_100000730970 [0,2,0,0,0,0|1,1,0]=4 7593 B12R0.233 C=CCSCC(=O)NCCC(C)C 11a_100000210545_100000230395 [0,2,0,0,0,0|1,1,0]=4 7594 B12R0.233 C=CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230395 [0,2,0,0,0,0|1,1,0]=4 7595 B12R0.233 C=CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230395 [0,2,0,0,0,0|1,1,0]=4 7596 B12R0.233 C=CCSCC(=O)NCCC(C)C 527a_100000210545_100000230395 [0,2,0,0,0,0|1,1,0]=4 7597 B12R0.233 C=CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230395 [0,2,0,0,0,0|1,1,0]=4 7598 B12R0.233 C=CCSCC(=O)NCCC(C)O 527a_200000755665_100000230395 [0,2,0,0,0,0|1,1,0]=4 7599 B12R0.233 C=COCCC(=O)CCCC(C)C 1458a_100011216857_100000039644 [0,2,0,0,0,0|1,0,0]=3 7600 B12R0.233 C=COCCC(=O)COCC(C)C 1458a_100011223364_100000039644 [0,2,0,0,0,0|2,0,0]=4 7601 B12R0.233 CC(=CCCC(=O)CCCCO)C 1458a_100000695505_100011217483 [0,2,0,0,0,0|2,0,0]=4 7602 B12R0.233 CC(=CCNC(=O)CCCCO)C 1626a_100000718196_100000695505 [0,2,0,0,0,0|2,0,0]=4 7603 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,2,0,0,0,0|1,0,1]=4 7604 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,2,0,0,0,0|1,0,1]=4 7605 B12R0.233 CC=CCOC(C)CCCC(C)C 34a_200011218570_100000070051 [0,2,0,0,0,0|1,0,1]=4 7606 B12R0.233 CC=CCOC(C)CCCC(C)C 7a_200011218570_100000070051 [0,2,0,0,0,0|1,0,1]=4 7607 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,2,0,0,0,0|1,0,0]=3 7608 B12R0.233 CCCCCC(=O)CCC=C(F)F 1458a_100000212188_200009816681 [0,2,0,0,0,0|1,0,0]=3 7609 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|1,0,1]=4 7610 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|1,0,1]=4 7611 B12R0.233 CCCCCC(=O)CCN=C(N)N 1458a_100000033030_100000210326 [0,2,0,0,0,0|2,0,0]=4 7612 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,1]=4 7613 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,1]=4 7614 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000181464_100000210326 [0,2,0,0,0,0|2,0,0]=4 7615 B12R0.233 CCCCCC(=O)CCNC(=O)N 1458a_100000212188_200000034859 [0,2,0,0,0,0|2,0,0]=4 7616 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|1,0,1]=4 7617 B12R0.233 CCCCCC(=O)CCOC(=O)N 1458a_100000212188_200011214921 [0,2,0,0,0,0|2,0,0]=4 7618 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|1,0,1]=4 7619 B12R0.233 CCCCCC(=O)CNCC(=O)N 2230a_100000711301_200012276598 [0,2,0,0,0,0|2,0,0]=4 7620 B12R0.233 CCCCCC(=O)CNCC(=O)O 269956a_100016091260_200012276598 [0,2,0,0,0,0|2,0,0]=4 7621 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|0,0,1]=3 7622 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|1,0,0]=3 7623 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,2,0,0,0,0|0,0,2]=4 7624 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,2,0,0,0,0|0,0,2]=4 7625 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,2,0,0,0,0|0,0,2]=4 7626 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,2,0,0,0,0|0,0,2]=4 7627 B12R0.233 CCCCCC(=O)COCC(F)F 34a_100000743014_200012276598 [0,2,0,0,0,0|1,0,1]=4 7628 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,2,0,0,0,0|0,0,2]=4 7629 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,2,0,0,0,0|0,0,2]=4 7630 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_100000747473_200012276598 [0,2,0,0,0,0|1,1,0]=4 7631 B12R0.233 CCCCCC(=O)CSCC(=O)N 62a_200012276598_100000747473 [0,2,0,0,0,0|1,1,0]=4 7632 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_100020667443_200012276598 [0,2,0,0,0,0|1,1,0]=4 7633 B12R0.233 CCCCCC(=O)CSCC(=O)[O-] 62a_200012276598_100020667443 [0,2,0,0,0,0|1,1,0]=4 7634 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,2,0,0,0,0|1,0,0]=3 7635 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,2,0,0,0,0|1,0,0]=3 7636 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,2,0,0,0,0|1,0,0]=3 7637 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 7638 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 7639 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 7640 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100000753907_200011218191 [0,2,0,0,0,0|1,0,1]=4 7641 B12R0.233 CCCCCC(C)OCC=C(C)C 34a_100011215632_100000761012 [0,2,0,0,0,0|1,0,1]=4 7642 B12R0.233 CCCCCC(C)OCC=C(C)C 7a_100011215632_100000761012 [0,2,0,0,0,0|1,0,1]=4 7643 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,2,0,0,0,0|1,0,1]=4 7644 B12R0.233 CCCCNC(=O)COCC(=O)N 1626a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 7645 B12R0.233 CCCCNC(=O)COCC(=O)N 240690a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 7646 B12R0.233 CCCCNC(=O)COCC(=O)N 527a_100000102301_100011219004 [0,2,0,0,0,0|2,0,0]=4 7647 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000102301_100000718196 [0,2,0,0,0,0|2,0,0]=4 7648 B12R0.233 CCCCNC(=O)NCC=C(C)C 2708a_100000718196_100000102301 [0,2,0,0,0,0|2,0,0]=4 7649 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000102301_100000718196 [0,2,0,0,0,0|2,0,0]=4 7650 B12R0.233 CCCCNC(=O)NCC=C(C)C 273464a_100000718196_100000102301 [0,2,0,0,0,0|2,0,0]=4 7651 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000102301_100000718196 [0,2,0,0,0,0|2,0,0]=4 7652 B12R0.233 CCCCNC(=O)NCC=C(C)C 512a_100000718196_100000102301 [0,2,0,0,0,0|2,0,0]=4 7653 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,2,0,0,0,0|1,0,1]=4 7654 B12R0.233 CCCOCC(=O)CCC=C(C)C 1458a_100000745993_100011217483 [0,2,0,0,0,0|2,0,0]=4 7655 B12R0.233 CCCOCC(=O)CCC=C(F)F 1458a_100000745993_200009816681 [0,2,0,0,0,0|2,0,0]=4 7656 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,2,0,0,0,0|0,0,2]=4 7657 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,2,0,0,0,0|0,0,2]=4 7658 B12R0.233 CCCOCC(=O)NCC=C(C)C 11a_100000718196_100000745993 [0,2,0,0,0,0|2,0,0]=4 7659 B12R0.233 CCCOCC(=O)NCC=C(C)C 1626a_100000718196_100000745993 [0,2,0,0,0,0|2,0,0]=4 7660 B12R0.233 CCCOCC(=O)NCC=C(C)C 527a_100000718196_100000745993 [0,2,0,0,0,0|2,0,0]=4 7661 B12R0.233 CCCSCC(=O)CCC=C(C)C 1458a_100000217233_100011217483 [0,2,0,0,0,0|2,0,0]=4 7662 B12R0.233 CCCSCC(=O)CCC=C(F)F 1458a_100000217233_200009816681 [0,2,0,0,0,0|2,0,0]=4 7663 B12R0.233 CCCSCC(=O)NCC=C(C)C 11a_100000718196_100000217233 [0,2,0,0,0,0|2,0,0]=4 7664 B12R0.233 CCCSCC(=O)NCC=C(C)C 1626a_100000718196_100000217233 [0,2,0,0,0,0|2,0,0]=4 7665 B12R0.233 CCCSCC(=O)NCC=C(C)C 527a_100000718196_100000217233 [0,2,0,0,0,0|2,0,0]=4 7666 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,2,0,0,0,0|2,0,0]=4 7667 B12R0.233 CCOCCC(=O)CCC=C(F)F 1458a_100000749530_200009816681 [0,2,0,0,0,0|2,0,0]=4 7668 B12R0.233 CCOCCC(=O)COCC(=O)N 1458a_100011219004_100011215890 [0,2,0,0,0,0|2,0,0]=4 7669 B12R0.233 CCOCCC(=O)NCC=C(C)C 11a_100000718196_100000749530 [0,2,0,0,0,0|2,0,0]=4 7670 B12R0.233 CCOCCC(=O)NCC=C(C)C 1626a_100000718196_100000749530 [0,2,0,0,0,0|2,0,0]=4 7671 B12R0.233 CCOCCC(=O)NCC=C(C)C 527a_100000718196_100000749530 [0,2,0,0,0,0|2,0,0]=4 7672 B12R0.233 CCSCCC(=O)CCC=C(C)C 1458a_100000230768_100011217483 [0,2,0,0,0,0|2,0,0]=4 7673 B12R0.233 CCSCCC(=O)CCC=C(F)F 1458a_100000230768_200009816681 [0,2,0,0,0,0|2,0,0]=4 7674 B12R0.233 CCSCCC(=O)COCC(=O)N 1458a_100011219004_100000757381 [0,2,0,0,0,0|2,0,0]=4 7675 B12R0.233 CCSCCC(=O)NCC=C(C)C 11a_100000718196_100000230768 [0,2,0,0,0,0|2,0,0]=4 7676 B12R0.233 CCSCCC(=O)NCC=C(C)C 1626a_100000718196_100000230768 [0,2,0,0,0,0|2,0,0]=4 7677 B12R0.233 CCSCCC(=O)NCC=C(C)C 527a_100000718196_100000230768 [0,2,0,0,0,0|2,0,0]=4 7678 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [0,2,0,0,0,0|2,0,0]=4 7679 B12R0.233 COCCCC(=O)CCC=C(F)F 1458a_100000741012_200009816681 [0,2,0,0,0,0|2,0,0]=4 7680 B12R0.233 COCCCC(=O)COCC(=O)N 1458a_100011219004_100000740836 [0,2,0,0,0,0|2,0,0]=4 7681 B12R0.233 COCCCC(=O)NCC=C(C)C 11a_100000718196_100000741012 [0,2,0,0,0,0|2,0,0]=4 7682 B12R0.233 COCCCC(=O)NCC=C(C)C 1626a_100000718196_100000741012 [0,2,0,0,0,0|2,0,0]=4 7683 B12R0.233 COCCCC(=O)NCC=C(C)C 527a_100000718196_100000741012 [0,2,0,0,0,0|2,0,0]=4 7684 B12R0.233 CSCCCC(=O)CCC=C(C)C 1458a_100000173376_100011217483 [0,2,0,0,0,0|2,0,0]=4 7685 B12R0.233 CSCCCC(=O)CCC=C(F)F 1458a_100000173376_200009816681 [0,2,0,0,0,0|2,0,0]=4 7686 B12R0.233 CSCCCC(=O)NCC=C(C)C 11a_100000718196_100000173376 [0,2,0,0,0,0|2,0,0]=4 7687 B12R0.233 CSCCCC(=O)NCC=C(C)C 1626a_100000718196_100000173376 [0,2,0,0,0,0|2,0,0]=4 7688 B12R0.233 CSCCCC(=O)NCC=C(C)C 527a_100000718196_100000173376 [0,2,0,0,0,0|2,0,0]=4 7689 B12R0.233 NC(=O)COCC(=O)CCCCF 1458a_100011219004_100000729493 [0,2,0,0,0,0|2,0,0]=4 7690 B12R0.233 NC(=O)COCC(=O)CCCCO 1458a_100011219004_100000210776 [0,2,0,0,0,0|2,0,0]=4 7691 B12R0.233 O=C(CCC=C(F)F)CCCCO 1458a_100000695505_200009816681 [0,2,0,0,0,0|2,0,0]=4 7692 B12R0.634 C=CCCNS(=O)(=O)CCCCC 270084a_100015191253_100000753860 [0,2,0,0,0,0|2,0,0]=4 7693 B12R0.634 C=CCCNS(=O)(=O)CCCCC 274078a_100015191253_100000753860 [0,2,0,0,0,0|2,0,0]=4 7694 B12R0.54 C=CCC(C)C(=O)CCCC(=O)C 1458a_100011216819_100011215641 [0,2,0,0,0,0|1,0,1]=4 7695 B12R0.54 C=CCC(C)C(=O)CCCC(C)C 1458a_100011216819_100011214892 [0,2,0,0,0,0|1,0,0]=3 7696 B12R0.54 C=CCC(C)C(=O)CCCC(C)O 1458a_100011216819_200000718107 [0,2,0,0,0,0|1,0,0]=3 7697 B12R0.54 C=CCC(C)C(=O)CCCN(C)C 1458a_100011216819_100000695564 [0,2,0,0,0,0|2,0,0]=4 7698 B12R0.54 C=CCC(C)C(=O)CCOC(C)C 1458a_100011216819_100000211751 [0,2,0,0,0,0|2,0,0]=4 7699 B12R0.54 C=CCC(C)C(=O)CCSC(C)C 1458a_100011216819_100000730970 [0,2,0,0,0,0|2,0,0]=4 7700 B12R0.54 C=CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011216819 [0,2,0,0,0,0|2,0,0]=4 7701 B12R0.54 C=CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011216819 [0,2,0,0,0,0|2,0,0]=4 7702 B12R0.54 C=CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011216819 [0,2,0,0,0,0|2,0,0]=4 7703 B12R0.54 C=CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011216819 [0,2,0,0,0,0|2,0,0]=4 7704 B12R0.54 C=CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011216819 [0,2,0,0,0,0|2,0,0]=4 7705 B12R0.54 C=CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011216819 [0,2,0,0,0,0|2,0,0]=4 7706 B12R0.54 C=CCN(C)C(=O)CCCC(C)C 11a_100000225617_100011216857 [0,2,0,0,0,0|1,0,0]=3 7707 B12R0.54 C=CCN(C)C(=O)CCCC(C)C 1626a_100000225617_100011216857 [0,2,0,0,0,0|1,0,0]=3 7708 B12R0.54 C=CCN(C)C(=O)CCCC(C)C 240690a_100000225617_100011216857 [0,2,0,0,0,0|1,0,0]=3 7709 B12R0.54 C=CCN(C)C(=O)CCCC(C)C 527a_100000225617_100011216857 [0,2,0,0,0,0|1,0,0]=3 7710 B12R0.54 C=CCN(C)C(=O)CCCC(C)O 1626a_100000225617_100000761597 [0,2,0,0,0,0|1,0,0]=3 7711 B12R0.54 C=CCN(C)C(=O)CCCC(C)O 527a_100000225617_100000761597 [0,2,0,0,0,0|1,0,0]=3 7712 B12R0.54 C=CCN(C)C(=O)CCCN(C)C 11a_100000225617_100000740757 [0,2,0,0,0,0|2,0,0]=4 7713 B12R0.54 C=CCN(C)C(=O)CCCN(C)C 240690a_100000225617_100000740757 [0,2,0,0,0,0|2,0,0]=4 7714 B12R0.54 C=CCN(C)C(=O)COCC(C)C 11a_100000225617_100011223364 [0,2,0,0,0,0|2,0,0]=4 7715 B12R0.54 C=CCN(C)C(=O)COCC(C)C 1626a_100000225617_100011223364 [0,2,0,0,0,0|2,0,0]=4 7716 B12R0.54 C=CCN(C)C(=O)COCC(C)C 240690a_100000225617_100011223364 [0,2,0,0,0,0|2,0,0]=4 7717 B12R0.54 C=CCN(C)C(=O)COCC(C)C 527a_100000225617_100011223364 [0,2,0,0,0,0|2,0,0]=4 7718 B12R0.54 C=CCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000225617 [0,2,0,0,0,0|2,0,0]=4 7719 B12R0.54 C=CCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000225617 [0,2,0,0,0,0|2,0,0]=4 7720 B12R0.54 C=CCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000225617 [0,2,0,0,0,0|2,0,0]=4 7721 B12R0.104 C=CCCC(=O)CCCC(F)(F)F 1458a_100000749702_100011216173 [0,2,0,0,0,0|2,0,0]=4 7722 B12R0.104 C=CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000754431 [0,2,0,0,0,0|2,0,0]=4 7723 B12R0.104 C=CCCC(=O)CCCS(=O)(=O)C 1458a_100000749702_100000754308 [0,2,0,0,0,0|2,0,0]=4 7724 B12R0.104 C=CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000754431 [0,2,0,0,0,0|2,0,0]=4 7725 B12R0.104 C=CCCC(=O)CCC[N+](C)(C)C 1458a_100000749702_100016990835 [0,2,0,0,0,0|2,0,0]=4 7726 B12R0.104 C=CCCC(=O)CCC[Si](C)(C)C 1458a_100000749702_100011219597 [0,2,0,0,0,0|1,1,0]=4 7727 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000749702 [0,2,0,0,0,0|2,0,0]=4 7728 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000749702 [0,2,0,0,0,0|2,0,0]=4 7729 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000749702 [0,2,0,0,0,0|2,0,0]=4 7730 B12R0.104 C=CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000749702 [0,2,0,0,0,0|2,0,0]=4 7731 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000749702 [0,2,0,0,0,0|2,0,0]=4 7732 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000749702 [0,2,0,0,0,0|2,0,0]=4 7733 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000749702 [0,2,0,0,0,0|2,0,0]=4 7734 B12R0.104 C=CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000749702 [0,2,0,0,0,0|2,0,0]=4 7735 B12R0.104 C=CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000749702 [0,2,0,0,0,0|2,0,0]=4 7736 B12R0.104 C=CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000749702 [0,2,0,0,0,0|2,0,0]=4 7737 B12R0.104 C=CCNC(=O)CCCC(F)(F)F 1626a_100020586998_100000764234 [0,2,0,0,0,0|2,0,0]=4 7738 B12R0.104 C=CCNC(=O)CCCC(F)(F)F 240690a_100020586998_100000764234 [0,2,0,0,0,0|2,0,0]=4 7739 B12R0.104 C=CCNC(=O)CCCC(F)(F)F 527a_100020586998_100000764234 [0,2,0,0,0,0|2,0,0]=4 7740 B12R0.104 C=CCNC(=O)CCC[N+](C)(C)C 1626a_100020586998_100000085584 [0,2,0,0,0,0|2,0,0]=4 7741 B12R0.104 C=CCNC(=O)CCC[N+](C)(C)C 240690a_100020586998_100000085584 [0,2,0,0,0,0|2,0,0]=4 7742 B12R0.104 C=CCNC(=O)CCC[N+](C)(C)C 527a_100020586998_100000085584 [0,2,0,0,0,0|2,0,0]=4 7743 B12R0.104 C=CCNC(=O)CCNC(C)(C)C 2230a_100000715429_100011222895 [0,2,0,0,0,0|2,0,0]=4 7744 B12R0.104 C=CCNC(=O)CCOC(C)(C)C 7a_100015890283_100011222895 [0,2,0,0,0,0|2,0,0]=4 7745 B12R0.104 C=CCNC(=O)CCSC(C)(C)C 62a_100000211941_100011222895 [0,2,0,0,0,0|2,0,0]=4 7746 B12R0.104 C=CCNC(=O)CCSC(C)(C)C 62a_100011222895_100000211941 [0,2,0,0,0,0|2,0,0]=4 7747 B12R0.104 C=CCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183597 [0,2,0,0,0,0|2,0,0]=4 7748 B12R0.104 C=CCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183597 [0,2,0,0,0,0|2,0,0]=4 7749 B12R0.104 C=CCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183597 [0,2,0,0,0,0|2,0,0]=4 7750 B12R0.104 C=CCNC(=O)CSCC(C)(C)C 62a_100000183597_100011219605 [0,2,0,0,0,0|2,0,0]=4 7751 B12R0.104 C=CCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183597 [0,2,0,0,0,0|2,0,0]=4 7752 B12R0.104 C=CCNC(=O)CSCC(C)(C)F 62a_100000183597_100011997219 [0,2,0,0,0,0|2,0,0]=4 7753 B12R0.104 C=CCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183597 [0,2,0,0,0,0|2,0,0]=4 7754 B12R0.104 C=CCNC(=O)CSCC(C)(C)O 62a_100000183597_100000764493 [0,2,0,0,0,0|2,0,0]=4 7755 B12R0.104 C=CCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183597 [0,2,0,0,0,0|2,0,0]=4 7756 B12R0.104 C=CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100020586998 [0,2,0,0,0,0|2,0,0]=4 7757 B12R0.104 C=CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100020586998 [0,2,0,0,0,0|2,0,0]=4 7758 B12R0.104 C=CCNC(=O)NCCC(C)(C)C 273464a_100020586998_100000738805 [0,2,0,0,0,0|2,0,0]=4 7759 B12R0.104 C=CCNC(=O)NCCC(C)(C)C 512a_100000738805_100020586998 [0,2,0,0,0,0|2,0,0]=4 7760 B12R0.104 C=CCNC(=O)NCCC(C)(C)C 512a_100020586998_100000738805 [0,2,0,0,0,0|2,0,0]=4 7761 B12R0.104 C=CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100020586998 [0,2,0,0,0,0|2,0,0]=4 7762 B12R0.104 C=CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100020586998 [0,2,0,0,0,0|2,0,0]=4 7763 B12R0.104 C=CCNC(=O)NCCC(C)(C)F 273464a_100020586998_100016253952 [0,2,0,0,0,0|2,0,0]=4 7764 B12R0.104 C=CCNC(=O)NCCC(C)(C)F 512a_100016253952_100020586998 [0,2,0,0,0,0|2,0,0]=4 7765 B12R0.104 C=CCNC(=O)NCCC(C)(C)F 512a_100020586998_100016253952 [0,2,0,0,0,0|2,0,0]=4 7766 B12R0.104 C=CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100020586998 [0,2,0,0,0,0|2,0,0]=4 7767 B12R0.104 C=CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100020586998 [0,2,0,0,0,0|2,0,0]=4 7768 B12R0.104 C=CCNC(=O)NCCC(C)(C)O 273464a_100020586998_100000707701 [0,2,0,0,0,0|2,0,0]=4 7769 B12R0.104 C=CCNC(=O)NCCC(C)(C)O 512a_100000707701_100020586998 [0,2,0,0,0,0|2,0,0]=4 7770 B12R0.104 C=CCNC(=O)NCCC(C)(C)O 512a_100020586998_100000707701 [0,2,0,0,0,0|2,0,0]=4 7771 B12R0.104 C=CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000033060 [0,2,0,0,0,0|1,0,0]=3 7772 B12R0.104 C=CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000033060 [0,2,0,0,0,0|1,0,0]=3 7773 B12R0.104 C=CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000033060 [0,2,0,0,0,0|1,0,0]=3 7774 B12R0.104 C=CCOC(=O)CNCC(F)(F)F 34a_100000717047_100000033060 [0,2,0,0,0,0|2,0,0]=4 7775 B12R0.104 C=CCOC(=O)COCC(C)(C)F 34a_100000716592_100000033060 [0,2,0,0,0,0|1,0,0]=3 7776 B12R0.104 C=CCOC(=O)COCC(C)(F)F 34a_100000068830_100000033060 [0,2,0,0,0,0|1,0,0]=3 7777 B12R0.104 C=CCOC(=O)COCC(F)(F)Br 34a_100011217949_100000033060 [0,2,0,0,0,0|2,0,0]=4 7778 B12R0.104 C=CCOC(=O)COCC(F)(F)Cl 34a_100000734434_100000033060 [0,2,0,0,0,0|2,0,0]=4 7779 B12R0.104 C=CCOC(=O)COCC(F)(F)F 34a_100000210435_100000033060 [0,2,0,0,0,0|2,0,0]=4 7780 B12R0.104 C=CCOC(=O)CSCC(C)(C)C 62a_100000033060_100011219605 [0,2,0,0,0,0|1,0,0]=3 7781 B12R0.104 C=CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000033060 [0,2,0,0,0,0|1,0,0]=3 7782 B12R0.104 C=CCOC(=O)CSCC(C)(C)F 62a_100000033060_100011997219 [0,2,0,0,0,0|1,0,0]=3 7783 B12R0.104 C=CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000033060 [0,2,0,0,0,0|1,0,0]=3 7784 B12R0.104 C=CCOC(=O)CSCC(C)(C)O 62a_100000033060_100000764493 [0,2,0,0,0,0|1,0,0]=3 7785 B12R0.104 C=CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000033060 [0,2,0,0,0,0|1,0,0]=3 7786 B12R0.104 C=CCOC(=O)CSCC(F)(F)F 62a_100000033060_100000763148 [0,2,0,0,0,0|2,0,0]=4 7787 B12R0.104 C=CCOC(=O)CSCC(F)(F)F 62a_100000763148_100000033060 [0,2,0,0,0,0|2,0,0]=4 7788 B12R0.104 C=CCOC(=O)CSC[N+](C)(C)C 62a_100000033060_200000036245 [0,2,0,0,0,0|2,0,0]=4 7789 B12R0.104 C=CCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000033060 [0,2,0,0,0,0|2,0,0]=4 7790 B12R0.104 C=CCOC(=O)CSC[Si](C)(C)C 62a_100000033060_100000037933 [0,2,0,0,0,0|1,1,0]=4 7791 B12R0.104 C=CCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000033060 [0,2,0,0,0,0|1,1,0]=4 7792 B12R0.240 C=CC(C)CC(=O)CCCC(=O)C 1458a_100011934298_100011215641 [0,2,0,0,0,0|1,0,1]=4 7793 B12R0.240 C=CC(C)CC(=O)CCCC(C)C 1458a_100011934298_100011214892 [0,2,0,0,0,0|1,0,0]=3 7794 B12R0.240 C=CC(C)CC(=O)CCCC(C)O 1458a_100011934298_200000718107 [0,2,0,0,0,0|1,0,0]=3 7795 B12R0.240 C=CC(C)CC(=O)CCCN(C)C 1458a_100011934298_100000695564 [0,2,0,0,0,0|2,0,0]=4 7796 B12R0.240 C=CC(C)CC(=O)CCOC(C)C 1458a_100011934298_100000211751 [0,2,0,0,0,0|2,0,0]=4 7797 B12R0.240 C=CC(C)CC(=O)CCSC(C)C 1458a_100011934298_100000730970 [0,2,0,0,0,0|2,0,0]=4 7798 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 11a_100000210545_100011934298 [0,2,0,0,0,0|2,0,0]=4 7799 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 1626a_100000210545_100011934298 [0,2,0,0,0,0|2,0,0]=4 7800 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 240690a_100000210545_100011934298 [0,2,0,0,0,0|2,0,0]=4 7801 B12R0.240 C=CC(C)CC(=O)NCCC(C)C 527a_100000210545_100011934298 [0,2,0,0,0,0|2,0,0]=4 7802 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100011934298 [0,2,0,0,0,0|2,0,0]=4 7803 B12R0.240 C=CC(C)CC(=O)NCCC(C)O 527a_200000755665_100011934298 [0,2,0,0,0,0|2,0,0]=4 7804 B12R0.331 C=CCOC(C)(C)CCCC(C)C 7a_100011215742_100015514636 [0,2,0,0,0,0|1,0,1]=4 7805 B12R0.118 C=CCOC(CC=C)CCCCC 34a_200011216309_100015514636 [0,2,0,0,0,0|1,0,1]=4 7806 B12R0.118 C=CCOC(CC=C)CCCCC 7a_200011216309_100015514636 [0,2,0,0,0,0|1,0,1]=4 7807 B12R0.118 C=CCOC(CCC)CCCCC 34a_200011215058_100015514636 [0,2,0,0,0,0|1,0,1]=4 7808 B12R0.118 C=CCOC(CCC)CCCCC 7a_200011215058_100015514636 [0,2,0,0,0,0|1,0,1]=4 7809 B12R0.244 C=CCOC(CCCCC)C(C)C 34a_200011216997_100015514636 [0,2,0,0,0,0|1,0,1]=4 7810 B12R0.244 C=CCOC(CCCCC)C(C)C 7a_200011216997_100015514636 [0,2,0,0,0,0|1,0,1]=4 7811 B12R0.144 C=CC(C=C)OC(C)CCCCC 34a_100000033096_200011218191 [0,2,0,0,0,0|1,0,1]=4 7812 B12R0.144 C=CC(CC)OC(C)CCCCC 34a_100000766422_200011218191 [0,2,0,0,0,0|1,0,1]=4 7813 B12R0.144 C=CC(CC)OC(C)CCCCC 7a_100000766422_200011218191 [0,2,0,0,0,0|1,0,1]=4 7814 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 240690a_100016989147_100000212188 [0,2,0,0,0,0|1,0,0]=3 7815 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 527a_100016989147_100000212188 [0,2,0,0,0,0|1,0,0]=3 7816 B12R0.144 C=C[C@@H](CO)NC(=O)CCCOC 240690a_100016989147_100000741012 [0,2,0,0,0,0|2,0,0]=4 7817 B12R0.144 C=C[C@@H](CO)NC(=O)CCCOC 527a_100016989147_100000741012 [0,2,0,0,0,0|2,0,0]=4 7818 B12R0.144 C=C[C@@H](CO)NC(=O)CCCSC 240690a_100016989147_100000173376 [0,2,0,0,0,0|2,0,0]=4 7819 B12R0.144 C=C[C@@H](CO)NC(=O)CCCSC 527a_100016989147_100000173376 [0,2,0,0,0,0|2,0,0]=4 7820 B12R0.144 C=C[C@@H](CO)NC(=O)CCOCC 240690a_100016989147_100000749530 [0,2,0,0,0,0|2,0,0]=4 7821 B12R0.144 C=C[C@@H](CO)NC(=O)CCOCC 527a_100016989147_100000749530 [0,2,0,0,0,0|2,0,0]=4 7822 B12R0.144 C=C[C@@H](CO)NC(=O)CCSCC 240690a_100016989147_100000230768 [0,2,0,0,0,0|2,0,0]=4 7823 B12R0.144 C=C[C@@H](CO)NC(=O)CCSCC 527a_100016989147_100000230768 [0,2,0,0,0,0|2,0,0]=4 7824 B12R0.144 C=C[C@@H](CO)NC(=O)COCCC 240690a_100016989147_100000745993 [0,2,0,0,0,0|2,0,0]=4 7825 B12R0.144 C=C[C@@H](CO)NC(=O)COCCC 527a_100016989147_100000745993 [0,2,0,0,0,0|2,0,0]=4 7826 B12R0.144 C=C[C@@H](CO)NC(=O)CSCCC 240690a_100016989147_100000217233 [0,2,0,0,0,0|2,0,0]=4 7827 B12R0.144 C=C[C@@H](CO)NC(=O)CSCCC 527a_100016989147_100000217233 [0,2,0,0,0,0|2,0,0]=4 7828 B12R0.144 C=C[C@@H](CO)NC(=O)NCCCC 2708a_100000102301_100016989147 [0,2,0,0,0,0|2,0,0]=4 7829 B12R0.144 C=C[C@@H](CO)NC(=O)NCCCC 273464a_100000102301_100016989147 [0,2,0,0,0,0|2,0,0]=4 7830 B12R0.144 C=C[C@@H](CO)NC(=O)NCCCC 273464a_100016989147_100000102301 [0,2,0,0,0,0|2,0,0]=4 7831 B12R0.144 C=C[C@@H](CO)NC(=O)NCCCC 512a_100000102301_100016989147 [0,2,0,0,0,0|2,0,0]=4 7832 B12R0.318 C=CC(C)(C)OC(C)CCCCC 34a_100011215311_200011218191 [0,2,0,0,0,0|1,0,1]=4 7833 B12R0.318 C=CC(C)(C)OC(C)CCCCC 7a_100011215311_200011218191 [0,2,0,0,0,0|1,0,1]=4 7834 B12R0.318 C=C[Si](C)(C)CC(=O)CCCCC 1458a_100000212188_100000038793 [0,2,0,0,0,0|1,1,0]=4 7835 B12R0.294 C=CCC(C)(C)C(=O)CCCCC 1458a_100000705796_100000210326 [0,2,0,0,0,0|1,0,0]=3 7836 B12R0.294 C=CCC(C)(C)C(=O)CCCCF 1458a_100000705796_100000729493 [0,2,0,0,0,0|2,0,0]=4 7837 B12R0.294 C=CCC(C)(C)C(=O)CCCCO 1458a_100000705796_100000210776 [0,2,0,0,0,0|2,0,0]=4 7838 B12R0.294 C=CCC(C)(C)C(=O)CCCOC 1458a_100000705796_100000740836 [0,2,0,0,0,0|2,0,0]=4 7839 B12R0.294 C=CCC(C)(C)C(=O)CCOCC 1458a_100000705796_100011215890 [0,2,0,0,0,0|2,0,0]=4 7840 B12R0.294 C=CCC(C)(C)C(=O)CCSCC 1458a_100000705796_100000757381 [0,2,0,0,0,0|2,0,0]=4 7841 B12R0.294 C=CCC(C)(C)C(=O)NCCCC 11a_100000102301_100000705796 [0,2,0,0,0,0|2,0,0]=4 7842 B12R0.294 C=CCC(C)(C)C(=O)NCCCC 1626a_100000102301_100000705796 [0,2,0,0,0,0|2,0,0]=4 7843 B12R0.294 C=CCC(C)(C)C(=O)NCCCC 240690a_100000102301_100000705796 [0,2,0,0,0,0|2,0,0]=4 7844 B12R0.294 C=CCC(C)(C)C(=O)NCCCC 527a_100000102301_100000705796 [0,2,0,0,0,0|2,0,0]=4 7845 B12R0.294 C=CCC(F)(F)C(=O)CCCCC 1458a_100000062105_100000210326 [0,2,0,0,0,0|1,0,0]=3 7846 B12R0.294 C=CCC(F)(F)C(=O)CCCCF 1458a_100000062105_100000729493 [0,2,0,0,0,0|2,0,0]=4 7847 B12R0.294 C=CCC(F)(F)C(=O)CCCCO 1458a_100000062105_100000210776 [0,2,0,0,0,0|2,0,0]=4 7848 B12R0.294 C=CCC(F)(F)C(=O)CCCOC 1458a_100000062105_100000740836 [0,2,0,0,0,0|2,0,0]=4 7849 B12R0.294 C=CCC(F)(F)C(=O)CCOCC 1458a_100000062105_100011215890 [0,2,0,0,0,0|2,0,0]=4 7850 B12R0.294 C=CCC(F)(F)C(=O)CCSCC 1458a_100000062105_100000757381 [0,2,0,0,0,0|2,0,0]=4 7851 B12R0.294 C=CCC(F)(F)C(=O)NCCCC 11a_100000102301_100000062105 [0,2,0,0,0,0|2,0,0]=4 7852 B12R0.294 C=CCC(F)(F)C(=O)NCCCC 1626a_100000102301_100000062105 [0,2,0,0,0,0|2,0,0]=4 7853 B12R0.294 C=CCC(F)(F)C(=O)NCCCC 240690a_100000102301_100000062105 [0,2,0,0,0,0|2,0,0]=4 7854 B12R0.294 C=CCC(F)(F)C(=O)NCCCC 527a_100000102301_100000062105 [0,2,0,0,0,0|2,0,0]=4 7855 B12R0.658 C=CCN(C)S(=O)(=O)CCCCC 270084a_100000225617_100000753860 [0,2,0,0,0,0|2,0,0]=4 7856 B12R0.658 C=CCN(C)S(=O)(=O)CCCCC 274078a_100000225617_100000753860 [0,2,0,0,0,0|2,0,0]=4 7857 B10R1.10 C=CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210623 [1,0,0,1,0,0|2,0,0]=4 7858 B10R1.10 C=CCN1CCC[C@@H](C1)C 269982a_100000717927_100000210623 [1,0,0,1,0,0|2,0,0]=4 7859 B10R1.10 C=CCN1CCC[C@@H](C1)C 34a_100000717927_100015514636 [1,0,0,1,0,0|2,0,0]=4 7860 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,1]=4 7861 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [1,0,0,1,0,0|0,0,2]=4 7862 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [1,0,0,1,0,0|0,0,2]=4 7863 B10R1.11 C=CCC(=O)C1=CCCC1 1458a_100000038896_100000210623 [1,0,0,1,0,0|0,0,2]=4 7864 B10R1.11 C=CCC(=O)C1CC=CC1 1458a_100000759439_100000210623 [1,0,0,1,0,0|0,0,2]=4 7865 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [1,0,0,1,0,0|0,0,0]=2 7866 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [1,0,0,1,0,0|0,0,0]=2 7867 B10R1.11 C=CCC(=O)C1CCCS1 1458a_100012002731_100000210623 [1,0,0,1,0,0|1,0,0]=3 7868 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100000210193_100000690089 [1,0,0,1,0,0|1,0,0]=3 7869 B10R1.11 C=CCC(=O)C1CCOC1 1458a_100011219752_100000210623 [1,0,0,1,0,0|1,0,0]=3 7870 B10R1.11 C=CCC(=O)N1CCCC1 240690a_100000188435_100000210193 [1,0,0,1,0,0|1,0,0]=3 7871 B10R1.11 C=CCC(=O)N1CCCC1 527a_100000188435_100000210193 [1,0,0,1,0,0|1,0,0]=3 7872 B10R1.11 C=CCC(=O)N1CCSC1 11a_100011215254_100000210193 [1,0,0,1,0,0|2,0,0]=4 7873 B10R1.11 C=CCC(=O)N1CCSC1 240690a_100011215254_100000210193 [1,0,0,1,0,0|2,0,0]=4 7874 B10R1.11 C=CCC(=O)N1CCSC1 527a_100011215254_100000210193 [1,0,0,1,0,0|2,0,0]=4 7875 B10R1.11 C=CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210623 [1,0,0,1,0,0|1,0,0]=3 7876 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000201337_200000210301 [1,0,0,1,0,0|2,0,0]=4 7877 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000207505_100000210623 [1,0,0,1,0,0|2,0,0]=4 7878 B10R1.11 C=CCN(C)C1CCCC1 2230a_100000225617_100000179811 [1,0,0,1,0,0|2,0,0]=4 7879 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000201337_200000210301 [1,0,0,1,0,0|2,0,0]=4 7880 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000207505_100000210623 [1,0,0,1,0,0|2,0,0]=4 7881 B10R1.11 C=CCN(C)C1CCCC1 269982a_100000225617_100000179811 [1,0,0,1,0,0|2,0,0]=4 7882 B10R1.11 C=CCN(C)C1CCCC1 270004a_100000225617_100000210133 [1,0,0,1,0,0|2,0,0]=4 7883 B10R1.11 C=CCN(C)C1CCCC1 34a_100000201337_200000210301 [1,0,0,1,0,0|2,0,0]=4 7884 B10R1.11 C=CCN(C)C1CCCC1 34a_100000207505_100015514636 [1,0,0,1,0,0|2,0,0]=4 7885 B10R1.11 C=CCN([13CH3])C1CCCC1 2230a_100000201337_200025704644 [1,0,0,1,0,0|2,0,0]=4 7886 B10R1.11 C=CCN([13CH3])C1CCCC1 269982a_100000201337_200025704644 [1,0,0,1,0,0|2,0,0]=4 7887 B10R1.11 C=CCN([13CH3])C1CCCC1 34a_100000201337_200025704644 [1,0,0,1,0,0|2,0,0]=4 7888 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,0,0,1,0,0|0,0,2]=4 7889 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|0,0,2]=4 7890 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|0,0,2]=4 7891 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 7892 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 7893 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,1]=4 7894 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|1,0,1]=4 7895 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|1,0,1]=4 7896 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [1,0,0,1,0,0|1,0,1]=4 7897 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [1,0,0,1,0,0|1,0,1]=4 7898 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [1,0,0,1,0,0|1,0,1]=4 7899 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [1,0,0,1,0,0|1,0,1]=4 7900 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [1,0,0,1,0,0|1,0,1]=4 7901 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|1,0,1]=4 7902 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|1,0,1]=4 7903 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|1,0,1]=4 7904 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|1,0,1]=4 7905 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|1,0,1]=4 7906 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|1,0,1]=4 7907 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|1,0,1]=4 7908 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|1,0,1]=4 7909 B10R1.21 CCCCCN1CC=CC1 269982a_100015195280_100000210215 [1,0,0,1,0,0|2,0,0]=4 7910 B10R1.21 CCCCSc1ccco1 62a_100000210211_100009814098 [1,0,0,1,0,0|2,0,0]=4 7911 B10R1.21 CCCCSc1ccco1 62a_100009814098_100000210210 [1,0,0,1,0,0|2,0,0]=4 7912 B10R1.21 CCCCSc1ncco1 62a_100000210211_100011787736 [1,0,0,1,0,0|2,0,0]=4 7913 B10R1.21 CCCCSc1ncco1 62a_100011787736_100000210210 [1,0,0,1,0,0|2,0,0]=4 7914 B10R1.21 CCCNCc1ccco1 207a_100020643023_100000186105 [1,0,0,1,0,0|2,0,0]=4 7915 B10R1.21 CCCNCc1ccco1 2230a_100000185738_100000210303 [1,0,0,1,0,0|2,0,0]=4 7916 B10R1.21 CCCNCc1ccco1 270004a_100020643023_100000186105 [1,0,0,1,0,0|2,0,0]=4 7917 B10R1.21 CCCNCc1ccco1 34a_100000185738_100000210303 [1,0,0,1,0,0|2,0,0]=4 7918 B10R1.21 CCCNCc1ncco1 2230a_100016994969_100000210303 [1,0,0,1,0,0|2,0,0]=4 7919 B10R1.21 CCCNCc1ncco1 270004a_100020643023_100000064290 [1,0,0,1,0,0|2,0,0]=4 7920 B10R1.21 CCCOCc1ccco1 34a_100000210059_100000210303 [1,0,0,1,0,0|2,0,0]=4 7921 B10R1.21 CCCOCc1ncco1 34a_100000062594_100000210303 [1,0,0,1,0,0|2,0,0]=4 7922 B10R1.21 CCCOCc1ncco1 34a_100000210258_103436540062 [1,0,0,1,0,0|2,0,0]=4 7923 B10R1.21 CCCSCc1ncco1 62a_100000210303_103436540062 [1,0,0,1,0,0|2,0,0]=4 7924 B10R1.21 CCCSCc1ncco1 62a_103436540062_100000210303 [1,0,0,1,0,0|2,0,0]=4 7925 B10R1.21 CCNCCc1ccco1 2230a_100000694680_100000210202 [1,0,0,1,0,0|2,0,0]=4 7926 B10R1.21 CCNCCc1ccco1 34a_100000694680_100000210202 [1,0,0,1,0,0|2,0,0]=4 7927 B10R1.29 CCCCC1C=CCN1C 2230a_100015184376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7928 B10R1.29 CCCCC1C=CCN1C 269982a_100015184376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7929 B10R1.29 CCCCC1C=CCN1C 34a_100015184376_200000210301 [1,0,0,1,0,0|2,0,0]=4 7930 B10R1.29 CCCCC1C=CCN1[13CH3] 2230a_100015184376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7931 B10R1.29 CCCCC1C=CCN1[13CH3] 269982a_100015184376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7932 B10R1.29 CCCCC1C=CCN1[13CH3] 34a_100015184376_200025704644 [1,0,0,1,0,0|2,0,0]=4 7933 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,1]=4 7934 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,1]=4 7935 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,1]=4 7936 B10R1.85 C=CCN1CCCCCC1 2230a_100000185865_100000210623 [1,0,0,1,0,0|2,0,0]=4 7937 B10R1.85 C=CCN1CCCCCC1 269982a_100000185865_100000210623 [1,0,0,1,0,0|2,0,0]=4 7938 B10R1.85 C=CCN1CCCCCC1 34a_100000185865_100015514636 [1,0,0,1,0,0|2,0,0]=4 7939 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [1,0,0,1,0,0|0,0,2]=4 7940 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [1,0,0,1,0,0|0,0,0]=2 7941 B10R1.135 C=CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210623 [1,0,0,1,0,0|1,0,1]=4 7942 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [1,0,0,1,0,0|1,0,1]=4 7943 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|1,0,1]=4 7944 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|1,0,1]=4 7945 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|0,0,2]=4 7946 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 7947 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 7948 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,1]=4 7949 B10R1.136 C=CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210193 [1,0,0,1,0,0|2,0,0]=4 7950 B10R1.136 C=CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210193 [1,0,0,1,0,0|2,0,0]=4 7951 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210193 [1,0,0,1,0,0|2,0,0]=4 7952 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210193 [1,0,0,1,0,0|2,0,0]=4 7953 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210193 [1,0,0,1,0,0|2,0,0]=4 7954 B10R1.136 C=CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210193 [1,0,0,1,0,0|2,0,0]=4 7955 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [1,0,0,1,0,0|0,0,2]=4 7956 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [1,0,0,1,0,0|0,0,2]=4 7957 B10R1.137 C=CCC(=O)C=C1CCC1 1458a_100000686340_100000210623 [1,0,0,1,0,0|0,0,2]=4 7958 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [1,0,0,1,0,0|0,0,0]=2 7959 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [1,0,0,1,0,0|0,0,0]=2 7960 B10R1.137 C=CCC(=O)CC1CCO1 1458a_100000210193_100000103362 [1,0,0,1,0,0|1,0,0]=3 7961 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000210193_100010264016 [1,0,0,1,0,0|1,0,0]=3 7962 B10R1.137 C=CCC(=O)CC1COC1 1458a_100000687760_100000210623 [1,0,0,1,0,0|1,0,0]=3 7963 B10R1.137 C=CCC(=O)NC1CCC1 11a_100000749019_100000210193 [1,0,0,1,0,0|1,0,0]=3 7964 B10R1.137 C=CCC(=O)NC1CCC1 1626a_100000749019_100000210193 [1,0,0,1,0,0|1,0,0]=3 7965 B10R1.137 C=CCC(=O)NC1CCC1 240690a_100000749019_100000210193 [1,0,0,1,0,0|1,0,0]=3 7966 B10R1.137 C=CCC(=O)NC1CCC1 527a_100000749019_100000210193 [1,0,0,1,0,0|1,0,0]=3 7967 B10R1.137 C=CCC(=O)NC1COC1 11a_100016991112_100000210193 [1,0,0,1,0,0|2,0,0]=4 7968 B10R1.137 C=CCC(=O)NC1COC1 1626a_100016991112_100000210193 [1,0,0,1,0,0|2,0,0]=4 7969 B10R1.137 C=CCC(=O)NC1COC1 240690a_100016991112_100000210193 [1,0,0,1,0,0|2,0,0]=4 7970 B10R1.137 C=CCC(=O)NC1COC1 527a_100016991112_100000210193 [1,0,0,1,0,0|2,0,0]=4 7971 B10R1.137 C=CCC(=O)NC1CSC1 11a_100016994217_100000210193 [1,0,0,1,0,0|2,0,0]=4 7972 B10R1.137 C=CCC(=O)NC1CSC1 1626a_100016994217_100000210193 [1,0,0,1,0,0|2,0,0]=4 7973 B10R1.137 C=CCC(=O)NC1CSC1 240690a_100016994217_100000210193 [1,0,0,1,0,0|2,0,0]=4 7974 B10R1.137 C=CCC(=O)NC1CSC1 527a_100016994217_100000210193 [1,0,0,1,0,0|2,0,0]=4 7975 B10R1.137 C=CCN(C)CC1CCC1 2230a_100000225617_100000763275 [1,0,0,1,0,0|2,0,0]=4 7976 B10R1.137 C=CCN(C)CC1CCC1 2230a_200000750244_100000210623 [1,0,0,1,0,0|2,0,0]=4 7977 B10R1.137 C=CCN(C)CC1CCC1 269982a_100000225617_100000763275 [1,0,0,1,0,0|2,0,0]=4 7978 B10R1.137 C=CCN(C)CC1CCC1 269982a_200000750244_100000210623 [1,0,0,1,0,0|2,0,0]=4 7979 B10R1.137 C=CCN(C)CC1CCC1 34a_200000750244_100015514636 [1,0,0,1,0,0|2,0,0]=4 7980 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [1,0,0,1,0,0|1,0,0]=3 7981 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [1,0,0,1,0,0|0,0,2]=4 7982 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|0,0,2]=4 7983 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|0,0,2]=4 7984 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 7985 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 7986 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,1]=4 7987 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|1,0,1]=4 7988 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|1,0,1]=4 7989 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|1,0,1]=4 7990 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [1,0,0,1,0,0|1,0,1]=4 7991 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [1,0,0,1,0,0|1,0,1]=4 7992 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [1,0,0,1,0,0|1,0,1]=4 7993 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [1,0,0,1,0,0|1,0,1]=4 7994 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [1,0,0,1,0,0|1,0,1]=4 7995 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|1,0,1]=4 7996 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|1,0,1]=4 7997 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|1,0,1]=4 7998 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [1,0,0,1,0,0|0,0,2]=4 7999 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [1,0,0,1,0,0|0,0,2]=4 8000 B10R1.138 C=CCC(=O)C=CC1CC1 1458a_100102529529_100000210623 [1,0,0,1,0,0|0,0,2]=4 8001 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [1,0,0,1,0,0|0,0,0]=2 8002 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [1,0,0,1,0,0|0,0,0]=2 8003 B10R1.138 C=CCC(=O)CCC1CO1 1458a_100000210193_100000732470 [1,0,0,1,0,0|1,0,0]=3 8004 B10R1.138 C=CCC(=O)NCC1CC1 11a_100000735609_100000210193 [1,0,0,1,0,0|1,0,0]=3 8005 B10R1.138 C=CCC(=O)NCC1CC1 1626a_100000735609_100000210193 [1,0,0,1,0,0|1,0,0]=3 8006 B10R1.138 C=CCC(=O)NCC1CC1 240690a_100000735609_100000210193 [1,0,0,1,0,0|1,0,0]=3 8007 B10R1.138 C=CCC(=O)NCC1CC1 527a_100000735609_100000210193 [1,0,0,1,0,0|1,0,0]=3 8008 B10R1.138 C=CCC(=O)NNC1CC1 22a_100000701032_100000210193 [1,0,0,1,0,0|2,0,0]=4 8009 B10R1.138 C=CCN(C)CCC1CC1 2230a_100000225617_100000694398 [1,0,0,1,0,0|2,0,0]=4 8010 B10R1.138 C=CCN(C)CCC1CC1 269982a_100000225617_100000694398 [1,0,0,1,0,0|2,0,0]=4 8011 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [1,0,0,1,0,0|1,0,0]=3 8012 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [1,0,0,1,0,0|1,0,0]=3 8013 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|0,0,2]=4 8014 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|0,0,2]=4 8015 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|0,0,2]=4 8016 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 8017 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 8018 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,1]=4 8019 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|1,0,1]=4 8020 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|1,0,1]=4 8021 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|1,0,1]=4 8022 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|1,0,1]=4 8023 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [1,0,0,1,0,0|1,0,1]=4 8024 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [1,0,0,1,0,0|1,0,1]=4 8025 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [1,0,0,1,0,0|1,0,1]=4 8026 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [1,0,0,1,0,0|1,0,1]=4 8027 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [1,0,0,1,0,0|1,0,1]=4 8028 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|1,0,1]=4 8029 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|1,0,1]=4 8030 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|1,0,1]=4 8031 B10R1.139 C=CCC(=O)C1CCC1=O 1458a_100000210193_100009892977 [1,0,0,1,0,0|1,0,1]=4 8032 B10R1.139 C=CCC(=O)N1CCC1C 11a_100000755817_100000210193 [1,0,0,1,0,0|1,0,0]=3 8033 B10R1.139 C=CCC(=O)N1CCC1C 240690a_100000755817_100000210193 [1,0,0,1,0,0|1,0,0]=3 8034 B10R1.139 C=CCC(=O)N1CCC1C 527a_100000755817_100000210193 [1,0,0,1,0,0|1,0,0]=3 8035 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|0,0,2]=4 8036 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|1,0,1]=4 8037 B10R1.16 C=CCOC1CCC(C1)C 34a_100000698185_100015514636 [1,0,0,1,0,0|1,0,1]=4 8038 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [1,0,0,1,0,0|1,0,1]=4 8039 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [1,0,0,1,0,0|1,0,1]=4 8040 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [1,0,0,1,0,0|1,0,1]=4 8041 B10R1.17 C=CCOC1CCCCO1 34a_100000033831_100015514636 [1,0,0,1,0,0|0,0,2]=4 8042 B10R1.178 C=CC=CC(=O)C1CCC1 1458a_100016291481_100000749161 [1,0,0,1,0,0|1,0,1]=4 8043 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000209988_100000754431 [1,0,0,1,0,0|1,0,0]=3 8044 B10R1.178 C=CCCC(=O)C1CCC1 1458a_100000749702_100000749161 [1,0,0,1,0,0|1,0,0]=3 8045 B10R1.178 C=CCCC(=O)C1CCO1 1458a_100000089072_100000754431 [1,0,0,1,0,0|2,0,0]=4 8046 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000749702_100000687716 [1,0,0,1,0,0|2,0,0]=4 8047 B10R1.178 C=CCCC(=O)C1COC1 1458a_100000758290_100000754431 [1,0,0,1,0,0|2,0,0]=4 8048 B10R1.178 C=CCCC(=O)N1CCC1 11a_100000754969_100000749702 [1,0,0,1,0,0|2,0,0]=4 8049 B10R1.178 C=CCCC(=O)N1CCC1 240690a_100000754969_100000749702 [1,0,0,1,0,0|2,0,0]=4 8050 B10R1.178 C=CCCC(=O)N1CCC1 527a_100000754969_100000749702 [1,0,0,1,0,0|2,0,0]=4 8051 B10R1.178 C=CCNC(=O)C1CCC1 1626a_100020586998_100000209988 [1,0,0,1,0,0|1,0,0]=3 8052 B10R1.178 C=CCNC(=O)C1CCC1 240690a_100020586998_100000209988 [1,0,0,1,0,0|1,0,0]=3 8053 B10R1.178 C=CCNC(=O)C1CCC1 527a_100020586998_100000209988 [1,0,0,1,0,0|1,0,0]=3 8054 B10R1.178 C=CCNC(=O)C1CCO1 1626a_100020586998_100000089072 [1,0,0,1,0,0|2,0,0]=4 8055 B10R1.178 C=CCNC(=O)C1CCO1 240690a_100020586998_100000089072 [1,0,0,1,0,0|2,0,0]=4 8056 B10R1.178 C=CCNC(=O)C1CCO1 527a_100020586998_100000089072 [1,0,0,1,0,0|2,0,0]=4 8057 B10R1.178 C=CCNC(=O)C1COC1 1626a_100020586998_100000758290 [1,0,0,1,0,0|2,0,0]=4 8058 B10R1.178 C=CCNC(=O)C1COC1 240690a_100020586998_100000758290 [1,0,0,1,0,0|2,0,0]=4 8059 B10R1.178 C=CCNC(=O)C1COC1 527a_100020586998_100000758290 [1,0,0,1,0,0|2,0,0]=4 8060 B10R1.178 C=CCNC(=O)N1CCC1 273464a_100020586998_100000754969 [1,0,0,1,0,0|2,0,0]=4 8061 B10R1.178 C=CCOC(C)C1CCC1 34a_100000766398_100015514636 [1,0,0,1,0,0|1,0,1]=4 8062 B10R1.178 C=CCOC(C)C1CCC1 7a_100000766398_100015514636 [1,0,0,1,0,0|1,0,1]=4 8063 B10R1.180 C=CC=CC(=O)CC1CC1 1458a_100016291481_100000742324 [1,0,0,1,0,0|1,0,1]=4 8064 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000738066_100000754431 [1,0,0,1,0,0|1,0,0]=3 8065 B10R1.180 C=CCCC(=O)CC1CC1 1458a_100000749702_100000742324 [1,0,0,1,0,0|1,0,0]=3 8066 B10R1.180 C=CCCC(=O)CC1CO1 1458a_100000749702_100011216344 [1,0,0,1,0,0|2,0,0]=4 8067 B10R1.180 C=CCCC(=O)CC1CS1 1458a_100000749702_100000031435 [1,0,0,1,0,0|2,0,0]=4 8068 B10R1.180 C=CCCC(=O)C[C@@H]1CO1 1458a_100000749702_100000745022 [1,0,0,1,0,0|2,0,0]=4 8069 B10R1.180 C=CCCC(=O)NC1CC1 1626a_100000212008_100000749702 [1,0,0,1,0,0|2,0,0]=4 8070 B10R1.180 C=CCCC(=O)NC1CC1 240690a_100000212008_100000749702 [1,0,0,1,0,0|2,0,0]=4 8071 B10R1.180 C=CCCC(=O)NC1CC1 527a_100000212008_100000749702 [1,0,0,1,0,0|2,0,0]=4 8072 B10R1.180 C=CCNC(=O)CC1CC1 1626a_100020586998_100000738066 [1,0,0,1,0,0|1,0,0]=3 8073 B10R1.180 C=CCNC(=O)CC1CC1 240690a_100020586998_100000738066 [1,0,0,1,0,0|1,0,0]=3 8074 B10R1.180 C=CCNC(=O)CC1CC1 527a_100020586998_100000738066 [1,0,0,1,0,0|1,0,0]=3 8075 B10R1.180 C=CCNC(=O)NC1CC1 2708a_100000212008_100020586998 [1,0,0,1,0,0|2,0,0]=4 8076 B10R1.180 C=CCNC(=O)NC1CC1 273464a_100000212008_100020586998 [1,0,0,1,0,0|2,0,0]=4 8077 B10R1.180 C=CCNC(=O)NC1CC1 273464a_100020586998_100000212008 [1,0,0,1,0,0|2,0,0]=4 8078 B10R1.180 C=CCNC(=O)NC1CC1 512a_100000212008_100020586998 [1,0,0,1,0,0|2,0,0]=4 8079 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [1,0,0,1,0,0|2,0,0]=4 8080 B10R1.187 CCSC1C(=O)COC1=O 62a_100000210202_100000032967 [1,0,0,1,0,0|2,0,0]=4 8081 B10R1.216 C=CCOC1(CCCC1)C 34a_100000751722_100015514636 [1,0,0,1,0,0|1,0,1]=4 8082 B10R1.216 C=CCOC1(CCCC1)C 7a_100000751722_100015514636 [1,0,0,1,0,0|1,0,1]=4 8083 B10R1.293 C=CCCC(=O)C1CC1C 1458a_100000211227_100000754431 [1,0,0,1,0,0|1,0,0]=3 8084 B10R1.293 C=CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000754431 [1,0,0,1,0,0|2,0,0]=4 8085 B10R1.293 C=CCNC(=O)C1CC1C 1626a_100020586998_100000211227 [1,0,0,1,0,0|1,0,0]=3 8086 B10R1.293 C=CCNC(=O)C1CC1C 527a_100020586998_100000211227 [1,0,0,1,0,0|1,0,0]=3 8087 B10R1.293 C=CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020586998_100015396687 [1,0,0,1,0,0|2,0,0]=4 8088 B10R1.293 C=CCNC(=O)[C@@H]1C[C@@H]1F 527a_100020586998_100015396687 [1,0,0,1,0,0|2,0,0]=4 8089 B10R1.5 C=CCN1CCCC1CC 2230a_100000754278_100000210623 [1,0,0,1,0,0|1,0,1]=4 8090 B10R1.5 C=CCN1CCCC1CC 269982a_100000754278_100000210623 [1,0,0,1,0,0|1,0,1]=4 8091 B10R1.5 C=CCN1CCCC1CC 34a_100000754278_100015514636 [1,0,0,1,0,0|1,0,1]=4 8092 B10R1.56 C=CCCOCC1CC1C 34a_100000744939_100000754431 [1,0,0,1,0,0|2,0,0]=4 8093 B10R1.56 C=CCCOCC1CC1C 7a_100000744939_100000754431 [1,0,0,1,0,0|2,0,0]=4 8094 B10R1.57 C=CCCNCC1CCC1 2230a_100000738700_100000754431 [1,0,0,1,0,0|2,0,0]=4 8095 B10R1.57 C=CCCNCC1CCC1 2230a_100015191253_100000763275 [1,0,0,1,0,0|2,0,0]=4 8096 B10R1.57 C=CCCNCC1CCC1 269862a_100015191253_100000753134 [1,0,0,1,0,0|2,0,0]=4 8097 B10R1.57 C=CCCNCC1CCC1 34a_100000738700_100000754431 [1,0,0,1,0,0|2,0,0]=4 8098 B10R1.57 C=CCCOCC1CCC1 34a_100000760304_100000754431 [1,0,0,1,0,0|2,0,0]=4 8099 B10R1.57 C=CCCOCC1CCC1 34a_100011205117_100000763275 [1,0,0,1,0,0|2,0,0]=4 8100 B10R1.57 C=CCCSCC1CCC1 62a_100000754431_100000763275 [1,0,0,1,0,0|2,0,0]=4 8101 B10R1.57 C=CCCSCC1CCC1 62a_100000763275_100000754431 [1,0,0,1,0,0|2,0,0]=4 8102 B10R1.57 C=CCOCCC1COC1 34a_100009855314_100015514636 [1,0,0,1,0,0|1,0,1]=4 8103 B10R1.177 C=CCCNCCC1CC1 2230a_100015191253_100000694398 [1,0,0,1,0,0|2,0,0]=4 8104 B10R1.177 C=CCCNCCC1CC1 34a_100000764129_100000754431 [1,0,0,1,0,0|2,0,0]=4 8105 B10R1.177 C=CCCOCCC1CC1 34a_100000754188_100000754431 [1,0,0,1,0,0|2,0,0]=4 8106 B10R1.177 C=CCCOCCC1CC1 34a_100011205117_100000694398 [1,0,0,1,0,0|2,0,0]=4 8107 B10R1.177 C=CCCOCCC1CC1 7a_100000754188_100000754431 [1,0,0,1,0,0|2,0,0]=4 8108 B10R1.177 C=CCCSCCC1CC1 62a_100000754431_100000764125 [1,0,0,1,0,0|2,0,0]=4 8109 B10R1.177 C=CCCSCCC1CC1 62a_100000764125_100000754431 [1,0,0,1,0,0|2,0,0]=4 8110 B10R1.177 C=CCOCCCC1CO1 34a_200000210373_100000733510 [1,0,0,1,0,0|1,0,1]=4 8111 B10R1.177 C=CCOCCNC1CC1 34a_100000738766_100015514636 [1,0,0,1,0,0|1,0,1]=4 8112 B10R1.177 C=CCOCCOC1CC1 34a_100000037705_100000211595 [1,0,0,1,0,0|1,0,1]=4 8113 B12R1.53 C=CC=CC(=O)CC1CCCC1 1458a_100016291481_100000740388 [0,1,0,1,0,0|1,0,1]=4 8114 B12R1.53 C=CC=CC(=O)CC1CCCO1 1458a_100016291481_100000203698 [0,1,0,1,0,0|1,0,1]=4 8115 B12R1.53 C=CC=CC(=O)CC1CCOC1 1458a_100016291481_100000702531 [0,1,0,1,0,0|1,0,1]=4 8116 B12R1.53 C=CC=CC(=O)NC1CCCC1 1626a_100000211070_100016291481 [0,1,0,1,0,0|1,0,1]=4 8117 B12R1.53 C=CCCC(=O)C=C1CCCC1 1458a_100000743260_100000754431 [0,1,0,1,0,0|1,0,1]=4 8118 B12R1.53 C=CCCC(=O)CC1=CCCC1 1458a_100000050221_100000754431 [0,1,0,1,0,0|1,0,1]=4 8119 B12R1.53 C=CCCC(=O)CC1C=CCC1 1458a_100000212241_100000754431 [0,1,0,1,0,0|1,0,1]=4 8120 B12R1.53 C=CCCC(=O)CC1CC=CC1 1458a_200000137526_100000754431 [0,1,0,1,0,0|1,0,1]=4 8121 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000210891_100000754431 [0,1,0,1,0,0|1,0,0]=3 8122 B12R1.53 C=CCCC(=O)CC1CCCC1 1458a_100000749702_100000740388 [0,1,0,1,0,0|1,0,0]=3 8123 B12R1.53 C=CCCC(=O)CC1CCCO1 1458a_100000749702_100000203698 [0,1,0,1,0,0|1,0,0]=3 8124 B12R1.53 C=CCCC(=O)CC1CCOC1 1458a_100000749702_100000702531 [0,1,0,1,0,0|1,0,0]=3 8125 B12R1.53 C=CCCC(=O)CC1CCOC1 1458a_100011218419_100000754431 [0,1,0,1,0,0|1,0,0]=3 8126 B12R1.53 C=CCCC(=O)CC1OCCO1 1458a_100000749702_100000755774 [0,1,0,1,0,0|2,0,0]=4 8127 B12R1.53 C=CCCC(=O)CN1CCCC1 1458a_100000740243_100000754431 [0,1,0,1,0,0|1,0,0]=3 8128 B12R1.53 C=CCCC(=O)NC1CCCC1 11a_100000211070_100000749702 [0,1,0,1,0,0|1,0,0]=3 8129 B12R1.53 C=CCCC(=O)NC1CCCC1 1626a_100000211070_100000749702 [0,1,0,1,0,0|1,0,0]=3 8130 B12R1.53 C=CCCC(=O)NC1CCCC1 240690a_100000211070_100000749702 [0,1,0,1,0,0|1,0,0]=3 8131 B12R1.53 C=CCCC(=O)NC1CCCC1 527a_100000211070_100000749702 [0,1,0,1,0,0|1,0,0]=3 8132 B12R1.53 C=CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000749702 [0,1,0,1,0,0|2,0,0]=4 8133 B12R1.53 C=CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000749702 [0,1,0,1,0,0|2,0,0]=4 8134 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000749702 [0,1,0,1,0,0|2,0,0]=4 8135 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000749702 [0,1,0,1,0,0|2,0,0]=4 8136 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000749702 [0,1,0,1,0,0|2,0,0]=4 8137 B12R1.53 C=CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000749702 [0,1,0,1,0,0|2,0,0]=4 8138 B12R1.53 C=CCNC(=O)C=C1CCCC1 1626a_100020586998_100000743260 [0,1,0,1,0,0|1,0,1]=4 8139 B12R1.53 C=CCNC(=O)C=C1CCCC1 240690a_100020586998_100000743260 [0,1,0,1,0,0|1,0,1]=4 8140 B12R1.53 C=CCNC(=O)C=C1CCCC1 527a_100020586998_100000743260 [0,1,0,1,0,0|1,0,1]=4 8141 B12R1.53 C=CCNC(=O)CC1=CCCC1 1626a_100020586998_100000050221 [0,1,0,1,0,0|1,0,1]=4 8142 B12R1.53 C=CCNC(=O)CC1=CCCC1 240690a_100020586998_100000050221 [0,1,0,1,0,0|1,0,1]=4 8143 B12R1.53 C=CCNC(=O)CC1=CCCC1 527a_100020586998_100000050221 [0,1,0,1,0,0|1,0,1]=4 8144 B12R1.53 C=CCNC(=O)CC1C=CCC1 1626a_100020586998_100000212241 [0,1,0,1,0,0|1,0,1]=4 8145 B12R1.53 C=CCNC(=O)CC1C=CCC1 240690a_100020586998_100000212241 [0,1,0,1,0,0|1,0,1]=4 8146 B12R1.53 C=CCNC(=O)CC1C=CCC1 527a_100020586998_100000212241 [0,1,0,1,0,0|1,0,1]=4 8147 B12R1.53 C=CCNC(=O)CC1CC=CC1 1626a_100020586998_200000137526 [0,1,0,1,0,0|1,0,1]=4 8148 B12R1.53 C=CCNC(=O)CC1CC=CC1 240690a_100020586998_200000137526 [0,1,0,1,0,0|1,0,1]=4 8149 B12R1.53 C=CCNC(=O)CC1CC=CC1 527a_100020586998_200000137526 [0,1,0,1,0,0|1,0,1]=4 8150 B12R1.53 C=CCNC(=O)CC1CCCC1 1626a_100020586998_100000210891 [0,1,0,1,0,0|1,0,0]=3 8151 B12R1.53 C=CCNC(=O)CC1CCCC1 240690a_100020586998_100000210891 [0,1,0,1,0,0|1,0,0]=3 8152 B12R1.53 C=CCNC(=O)CC1CCCC1 527a_100020586998_100000210891 [0,1,0,1,0,0|1,0,0]=3 8153 B12R1.53 C=CCNC(=O)CC1CCOC1 1626a_100020586998_100011218419 [0,1,0,1,0,0|1,0,0]=3 8154 B12R1.53 C=CCNC(=O)CC1CCOC1 240690a_100020586998_100011218419 [0,1,0,1,0,0|1,0,0]=3 8155 B12R1.53 C=CCNC(=O)CC1CCOC1 527a_100020586998_100011218419 [0,1,0,1,0,0|1,0,0]=3 8156 B12R1.53 C=CCNC(=O)CN1CCCC1 2230a_100000188435_100000183597 [0,1,0,1,0,0|1,0,0]=3 8157 B12R1.53 C=CCNC(=O)CN1CCCC1 240690a_100020586998_100000740243 [0,1,0,1,0,0|1,0,0]=3 8158 B12R1.53 C=CCNC(=O)CN1CCCC1 269982a_100000188435_100000183597 [0,1,0,1,0,0|1,0,0]=3 8159 B12R1.53 C=CCNC(=O)CN1CCCC1 527a_100020586998_100000740243 [0,1,0,1,0,0|1,0,0]=3 8160 B12R1.53 C=CCNC(=O)CN1CCSC1 2230a_100011215254_100000183597 [0,1,0,1,0,0|2,0,0]=4 8161 B12R1.53 C=CCNC(=O)CN1CCSC1 269982a_100011215254_100000183597 [0,1,0,1,0,0|2,0,0]=4 8162 B12R1.53 C=CCNC(=O)NC1CCCC1 2708a_100000211070_100020586998 [0,1,0,1,0,0|1,0,0]=3 8163 B12R1.53 C=CCNC(=O)NC1CCCC1 273464a_100000211070_100020586998 [0,1,0,1,0,0|1,0,0]=3 8164 B12R1.53 C=CCNC(=O)NC1CCCC1 273464a_100020586998_100000211070 [0,1,0,1,0,0|1,0,0]=3 8165 B12R1.53 C=CCNC(=O)NC1CCCC1 512a_100000211070_100020586998 [0,1,0,1,0,0|1,0,0]=3 8166 B12R1.53 C=CCNC(=O)NC1CCCC1 512a_100020586998_100000211070 [0,1,0,1,0,0|1,0,0]=3 8167 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100020586998 [0,1,0,1,0,0|2,0,0]=4 8168 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 273464a_100020586998_200015188469 [0,1,0,1,0,0|2,0,0]=4 8169 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100020586998 [0,1,0,1,0,0|2,0,0]=4 8170 B12R1.53 C=CCNC(=O)N[C@@H]1CCOC1 512a_100020586998_200015188469 [0,1,0,1,0,0|2,0,0]=4 8171 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100020586998 [0,1,0,1,0,0|2,0,0]=4 8172 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100020586998 [0,1,0,1,0,0|2,0,0]=4 8173 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 273464a_100020586998_100015188467 [0,1,0,1,0,0|2,0,0]=4 8174 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100020586998 [0,1,0,1,0,0|2,0,0]=4 8175 B12R1.53 C=CCNC(=O)N[C@H]1CCOC1 512a_100020586998_100015188467 [0,1,0,1,0,0|2,0,0]=4 8176 B12R1.53 C=CCOC(=O)CN1CC=CC1 269982a_100015195280_100000033060 [0,1,0,1,0,0|0,0,2]=4 8177 B12R1.53 C=CCOC(=O)CN1CCCC1 2230a_100000188435_100000033060 [0,1,0,1,0,0|0,0,0]=2 8178 B12R1.53 C=CCOC(=O)CN1CCCC1 269982a_100000188435_100000033060 [0,1,0,1,0,0|0,0,0]=2 8179 B12R1.53 C=CCOC(=O)CN1CCSC1 2230a_100011215254_100000033060 [0,1,0,1,0,0|1,0,0]=3 8180 B12R1.53 C=CCOC(=O)CN1CCSC1 269982a_100011215254_100000033060 [0,1,0,1,0,0|1,0,0]=3 8181 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|0,0,2]=4 8182 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|0,0,2]=4 8183 B12R1.460 C=CCCC(=O)C1CCCC1=O 1458a_100000749702_100000211823 [0,1,0,1,0,0|1,0,1]=4 8184 B12R1.460 C=CCCC(=O)C1CCCC1C 1458a_100000690547_100000754431 [0,1,0,1,0,0|1,0,0]=3 8185 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749702 [0,1,0,1,0,0|1,0,0]=3 8186 B12R1.460 C=CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749702 [0,1,0,1,0,0|1,0,0]=3 8187 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749702 [0,1,0,1,0,0|1,0,0]=3 8188 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749702 [0,1,0,1,0,0|1,0,0]=3 8189 B12R1.460 C=CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749702 [0,1,0,1,0,0|1,0,0]=3 8190 B12R1.460 C=CCCC(=O)N1CCSC1C 11a_200011216479_100000749702 [0,1,0,1,0,0|2,0,0]=4 8191 B12R1.460 C=CCCC(=O)N1CCSC1C 1626a_200011216479_100000749702 [0,1,0,1,0,0|2,0,0]=4 8192 B12R1.460 C=CCCC(=O)N1CCSC1C 240690a_200011216479_100000749702 [0,1,0,1,0,0|2,0,0]=4 8193 B12R1.460 C=CCCC(=O)N1CCSC1C 527a_200011216479_100000749702 [0,1,0,1,0,0|2,0,0]=4 8194 B12R1.460 C=CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000754431 [0,1,0,1,0,0|1,0,0]=3 8195 B12R1.460 C=CCNC(=O)C1CCCC1C 1626a_100020586998_100000690547 [0,1,0,1,0,0|1,0,0]=3 8196 B12R1.460 C=CCNC(=O)C1CCCC1C 240690a_100020586998_100000690547 [0,1,0,1,0,0|1,0,0]=3 8197 B12R1.460 C=CCNC(=O)C1CCCC1C 527a_100020586998_100000690547 [0,1,0,1,0,0|1,0,0]=3 8198 B12R1.460 C=CCNC(=O)C1CSCN1C 240690a_100020586998_100020666735 [0,1,0,1,0,0|2,0,0]=4 8199 B12R1.460 C=CCNC(=O)N1CCC[C@@H]1C 273464a_100020586998_100020605311 [0,1,0,1,0,0|1,0,0]=3 8200 B12R1.460 C=CCNC(=O)N1CCC[C@H]1C 273464a_100020586998_100015189458 [0,1,0,1,0,0|1,0,0]=3 8201 B12R1.460 C=CCNC(=O)N1CCSC1C 273464a_100020586998_200011216479 [0,1,0,1,0,0|2,0,0]=4 8202 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 240690a_100020586998_100009816429 [0,1,0,1,0,0|1,0,0]=3 8203 B12R1.460 C=CCNC(=O)[C@@H]1CCCN1C 527a_100020586998_100009816429 [0,1,0,1,0,0|1,0,0]=3 8204 B12R1.460 C=CCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100015514636 [0,1,0,1,0,0|1,0,1]=4 8205 B12R1.462 C=CCCC(=O)CC1CC(=O)C1 1458a_100000749702_100009874392 [0,1,0,1,0,0|1,0,1]=4 8206 B12R1.462 C=CCCC(=O)NC1CC(C1)F 11a_100016993743_100000749702 [0,1,0,1,0,0|2,0,0]=4 8207 B12R1.462 C=CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000749702 [0,1,0,1,0,0|2,0,0]=4 8208 B12R1.462 C=CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000749702 [0,1,0,1,0,0|2,0,0]=4 8209 B12R1.462 C=CCCC(=O)NC1CC(C1)F 527a_100016993743_100000749702 [0,1,0,1,0,0|2,0,0]=4 8210 B12R1.462 C=CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000749702 [0,1,0,1,0,0|2,0,0]=4 8211 B12R1.462 C=CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000749702 [0,1,0,1,0,0|2,0,0]=4 8212 B12R1.462 C=CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000749702 [0,1,0,1,0,0|2,0,0]=4 8213 B12R1.462 C=CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000749702 [0,1,0,1,0,0|2,0,0]=4 8214 B12R1.462 C=CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183597 [0,1,0,1,0,0|2,0,0]=4 8215 B12R1.462 C=CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183597 [0,1,0,1,0,0|2,0,0]=4 8216 B12R1.462 C=CCNC(=O)CN1CC(C1)F 2230a_100000690557_100000183597 [0,1,0,1,0,0|2,0,0]=4 8217 B12R1.462 C=CCNC(=O)CN1CC(C1)F 269982a_100000690557_100000183597 [0,1,0,1,0,0|2,0,0]=4 8218 B12R1.462 C=CCNC(=O)CN1CC(C1)O 269982a_100000749847_100000183597 [0,1,0,1,0,0|2,0,0]=4 8219 B12R1.462 C=CCNC(=O)NC1CC(C1)F 2708a_100016993743_100020586998 [0,1,0,1,0,0|2,0,0]=4 8220 B12R1.462 C=CCNC(=O)NC1CC(C1)F 273464a_100016993743_100020586998 [0,1,0,1,0,0|2,0,0]=4 8221 B12R1.462 C=CCNC(=O)NC1CC(C1)F 273464a_100020586998_100016993743 [0,1,0,1,0,0|2,0,0]=4 8222 B12R1.462 C=CCNC(=O)NC1CC(C1)F 512a_100016993743_100020586998 [0,1,0,1,0,0|2,0,0]=4 8223 B12R1.462 C=CCNC(=O)NC1CC(C1)F 512a_100020586998_100016993743 [0,1,0,1,0,0|2,0,0]=4 8224 B12R1.462 C=CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020586998_100020629032 [0,1,0,1,0,0|2,0,0]=4 8225 B12R1.462 C=CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100020586998 [0,1,0,1,0,0|2,0,0]=4 8226 B12R1.462 C=CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020586998_100020629032 [0,1,0,1,0,0|2,0,0]=4 8227 B12R1.462 C=CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100020586998 [0,1,0,1,0,0|2,0,0]=4 8228 B12R1.462 C=CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000033060 [0,1,0,1,0,0|1,0,0]=3 8229 B12R1.462 C=CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000033060 [0,1,0,1,0,0|1,0,0]=3 8230 B12R1.462 C=CCOC(=O)CN1CC(C1)C 34a_100000702820_100000033060 [0,1,0,1,0,0|1,0,0]=3 8231 B12R1.462 C=CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000033060 [0,1,0,1,0,0|1,0,0]=3 8232 B12R1.462 C=CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000033060 [0,1,0,1,0,0|1,0,0]=3 8233 B12R1.462 C=CCOC(=O)CN1CC(C1)F 34a_100000690557_100000033060 [0,1,0,1,0,0|1,0,0]=3 8234 B12R1.462 C=CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000033060 [0,1,0,1,0,0|1,0,0]=3 8235 B12R1.841 C=CCCC(=O)CC(=O)C1CC1 1458a_100000749702_100000746382 [0,1,0,1,0,0|1,0,1]=4 8236 B12R1.841 C=CCCC(=O)NC(C)C1CC1 11a_100000700016_100000749702 [0,1,0,1,0,0|2,0,0]=4 8237 B12R1.841 C=CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000749702 [0,1,0,1,0,0|2,0,0]=4 8238 B12R1.841 C=CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000749702 [0,1,0,1,0,0|2,0,0]=4 8239 B12R1.841 C=CCCC(=O)NC(C)C1CC1 527a_100000700016_100000749702 [0,1,0,1,0,0|2,0,0]=4 8240 B12R1.841 C=CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183597 [0,1,0,1,0,0|1,0,1]=4 8241 B12R1.841 C=CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183597 [0,1,0,1,0,0|2,0,0]=4 8242 B12R1.841 C=CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183597 [0,1,0,1,0,0|2,0,0]=4 8243 B12R1.841 C=CCNC(=O)NC(C)C1CC1 2708a_100000700016_100020586998 [0,1,0,1,0,0|2,0,0]=4 8244 B12R1.841 C=CCNC(=O)NC(C)C1CC1 273464a_100000700016_100020586998 [0,1,0,1,0,0|2,0,0]=4 8245 B12R1.841 C=CCNC(=O)NC(C)C1CC1 273464a_100020586998_100000700016 [0,1,0,1,0,0|2,0,0]=4 8246 B12R1.841 C=CCNC(=O)NC(C)C1CC1 512a_100000700016_100020586998 [0,1,0,1,0,0|2,0,0]=4 8247 B12R1.841 C=CCNC(=O)NC(C)C1CC1 512a_100020586998_100000700016 [0,1,0,1,0,0|2,0,0]=4 8248 B12R1.841 C=CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000033060 [0,1,0,1,0,0|0,0,1]=3 8249 B12R1.841 C=CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000033060 [0,1,0,1,0,0|1,0,1]=4 8250 B12R1.841 C=CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000033060 [0,1,0,1,0,0|1,0,0]=3 8251 B12R1.841 C=CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000033060 [0,1,0,1,0,0|1,0,0]=3 8252 B12R1.1589 CCCN(C)C1C(=O)COC1=O 269982a_100000747261_100000032967 [0,1,0,1,0,0|2,0,0]=4 8253 B12R1.2044 C=CC=CC(=O)CC1(CCC1)C 1458a_100016291481_100000726658 [0,1,0,1,0,0|1,0,1]=4 8254 B12R1.2044 C=CCCC(=O)CC1(CCC1)C 1458a_100000749702_100000726658 [0,1,0,1,0,0|1,0,0]=3 8255 B12R1.2044 C=CCCC(=O)CC1(COC1)C 1458a_100000749702_100000066812 [0,1,0,1,0,0|2,0,0]=4 8256 B12R1.2044 C=CCCC(=O)NC1(CCC1)C 11a_100000692455_100000749702 [0,1,0,1,0,0|2,0,0]=4 8257 B12R1.2044 C=CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000749702 [0,1,0,1,0,0|2,0,0]=4 8258 B12R1.2044 C=CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000749702 [0,1,0,1,0,0|2,0,0]=4 8259 B12R1.2044 C=CCCC(=O)NC1(CCC1)C 527a_100000692455_100000749702 [0,1,0,1,0,0|2,0,0]=4 8260 B12R1.2044 C=CCNC(=O)NC1(CCC1)C 273464a_100000692455_100020586998 [0,1,0,1,0,0|2,0,0]=4 8261 B12R1.2044 C=CCNC(=O)NC1(CCC1)C 273464a_100020586998_100000692455 [0,1,0,1,0,0|2,0,0]=4 8262 B12R1.2044 C=CCNC(=O)NC1(CCC1)C 512a_100000692455_100020586998 [0,1,0,1,0,0|2,0,0]=4 8263 B12R1.2044 C=CCNC(=O)NC1(CCC1)C 512a_100020586998_100000692455 [0,1,0,1,0,0|2,0,0]=4 8264 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100000698827_100000210623 [0,1,0,1,0,0|2,0,0]=4 8265 B12R1.18 C=CCNC1CCCCNC1=O 2230a_100020586998_100000735217 [0,1,0,1,0,0|2,0,0]=4 8266 B12R1.18 C=CCNC1CCCCNC1=O 34a_100000698827_100015514636 [0,1,0,1,0,0|2,0,0]=4 8267 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000210623_100000243696 [0,1,0,1,0,0|0,1,0]=3 8268 B12R1.18 C=CCSC1CCCCCC1=O 62a_100000243696_100000210623 [0,1,0,1,0,0|0,1,0]=3 8269 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000210623_100000735217 [0,1,0,1,0,0|1,1,0]=4 8270 B12R1.18 C=CCSC1CCCCNC1=O 62a_100000735217_100000210623 [0,1,0,1,0,0|1,1,0]=4 8271 B12R1.18 O=CCSC1CCCCCC1=O 62a_100000243696_200015260668 [0,1,0,1,0,0|1,1,0]=4 8272 B12R1.18 O=CCSC1CCCCCC1=O 62a_200015260668_100000243696 [0,1,0,1,0,0|1,1,0]=4 8273 B12R1.29 C=CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000754431 [0,1,0,1,0,0|1,0,0]=3 8274 B12R1.29 C=CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000754431 [0,1,0,1,0,0|2,0,0]=4 8275 B12R1.29 C=CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000749702 [0,1,0,1,0,0|2,0,0]=4 8276 B12R1.29 C=CCCC(=O)N1CCC(C1)O 527a_100011215560_100000749702 [0,1,0,1,0,0|2,0,0]=4 8277 B12R1.29 C=CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000749702 [0,1,0,1,0,0|2,0,0]=4 8278 B12R1.29 C=CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000749702 [0,1,0,1,0,0|2,0,0]=4 8279 B12R1.29 C=CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000749702 [0,1,0,1,0,0|2,0,0]=4 8280 B12R1.29 C=CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000749702 [0,1,0,1,0,0|2,0,0]=4 8281 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000749702 [0,1,0,1,0,0|2,0,0]=4 8282 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000749702 [0,1,0,1,0,0|2,0,0]=4 8283 B12R1.29 C=CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000749702 [0,1,0,1,0,0|2,0,0]=4 8284 B12R1.29 C=CCNC(=O)C1CCC(C1)O 1626a_100020586998_100000688591 [0,1,0,1,0,0|1,0,0]=3 8285 B12R1.29 C=CCNC(=O)C1CCC(C1)O 240690a_100020586998_100000688591 [0,1,0,1,0,0|1,0,0]=3 8286 B12R1.29 C=CCNC(=O)C1CCN(C1)C 240690a_100020586998_100000739633 [0,1,0,1,0,0|2,0,0]=4 8287 B12R1.29 C=CCNC(=O)C1CCN(C1)C 527a_100020586998_100000739633 [0,1,0,1,0,0|2,0,0]=4 8288 B12R1.29 C=CCNC(=O)N1CCC(C1)O 273464a_100020586998_100011215560 [0,1,0,1,0,0|2,0,0]=4 8289 B12R1.29 C=CCNC(=O)N1CC[C@@H](C1)F 273464a_100020586998_100015203821 [0,1,0,1,0,0|2,0,0]=4 8290 B12R1.29 C=CCNC(=O)N1CC[C@H](C1)C 273464a_100020586998_100016987628 [0,1,0,1,0,0|2,0,0]=4 8291 B12R1.30 C=CC=CC(=O)C1CCCCC1 1458a_100016291481_100000210327 [0,1,0,1,0,0|1,0,1]=4 8292 B12R1.30 C=CC=CC(=O)C1CCCOC1 1458a_100016291481_100000693364 [0,1,0,1,0,0|1,0,1]=4 8293 B12R1.30 C=CC=CC(=O)C1CCOCC1 1458a_100016291481_100011324220 [0,1,0,1,0,0|1,0,1]=4 8294 B12R1.30 C=CCCC(=O)C1=CCCCC1 1458a_100000765259_100000754431 [0,1,0,1,0,0|1,0,1]=4 8295 B12R1.30 C=CCCC(=O)C1C=CCCC1 1458a_100000749702_100000751183 [0,1,0,1,0,0|1,0,1]=4 8296 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000210647_100000754431 [0,1,0,1,0,0|1,0,0]=3 8297 B12R1.30 C=CCCC(=O)C1CCCCC1 1458a_100000749702_100000210327 [0,1,0,1,0,0|1,0,0]=3 8298 B12R1.30 C=CCCC(=O)C1CCCCO1 1458a_100000748299_100000754431 [0,1,0,1,0,0|1,0,0]=3 8299 B12R1.30 C=CCCC(=O)C1CCCOC1 1458a_100000741522_100000754431 [0,1,0,1,0,0|1,0,0]=3 8300 B12R1.30 C=CCCC(=O)C1CCCOC1 1458a_100000749702_100000693364 [0,1,0,1,0,0|1,0,0]=3 8301 B12R1.30 C=CCCC(=O)C1CCOCC1 1458a_100000195482_100000754431 [0,1,0,1,0,0|1,0,0]=3 8302 B12R1.30 C=CCCC(=O)C1CCOCC1 1458a_100000749702_100011324220 [0,1,0,1,0,0|1,0,0]=3 8303 B12R1.30 C=CCCC(=O)C1CCSCC1 1458a_100000755232_100000754431 [0,1,0,1,0,0|1,0,0]=3 8304 B12R1.30 C=CCCC(=O)C1COCCO1 1458a_100000045528_100000754431 [0,1,0,1,0,0|2,0,0]=4 8305 B12R1.30 C=CCCC(=O)C1SCCCS1 1458a_100000028545_100000754431 [0,1,0,1,0,0|2,0,0]=4 8306 B12R1.30 C=CCCC(=O)N1CCCOC1 11a_100000131196_100000749702 [0,1,0,1,0,0|2,0,0]=4 8307 B12R1.30 C=CCCC(=O)N1CCCOC1 240690a_100000131196_100000749702 [0,1,0,1,0,0|2,0,0]=4 8308 B12R1.30 C=CCCC(=O)N1CCOCC1 11a_100015191051_100000749702 [0,1,0,1,0,0|2,0,0]=4 8309 B12R1.30 C=CCCC(=O)N1CCOCC1 1626a_100015191051_100000749702 [0,1,0,1,0,0|2,0,0]=4 8310 B12R1.30 C=CCCC(=O)N1CCOCC1 240690a_100015191051_100000749702 [0,1,0,1,0,0|2,0,0]=4 8311 B12R1.30 C=CCCC(=O)N1CCOCC1 527a_100015191051_100000749702 [0,1,0,1,0,0|2,0,0]=4 8312 B12R1.30 C=CCCC(=O)N1CCSCC1 11a_100000737611_100000749702 [0,1,0,1,0,0|2,0,0]=4 8313 B12R1.30 C=CCCC(=O)N1CCSCC1 240690a_100000737611_100000749702 [0,1,0,1,0,0|2,0,0]=4 8314 B12R1.30 C=CCCC(=O)N1CCSCC1 527a_100000737611_100000749702 [0,1,0,1,0,0|2,0,0]=4 8315 B12R1.30 C=CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000754431 [0,1,0,1,0,0|1,0,1]=4 8316 B12R1.30 C=CCNC(=O)C1=CCCCC1 1626a_100020586998_100000765259 [0,1,0,1,0,0|1,0,1]=4 8317 B12R1.30 C=CCNC(=O)C1=CCCCC1 240690a_100020586998_100000765259 [0,1,0,1,0,0|1,0,1]=4 8318 B12R1.30 C=CCNC(=O)C1=CCCCC1 527a_100020586998_100000765259 [0,1,0,1,0,0|1,0,1]=4 8319 B12R1.30 C=CCNC(=O)C1CCCCC1 1626a_100020586998_100000210647 [0,1,0,1,0,0|1,0,0]=3 8320 B12R1.30 C=CCNC(=O)C1CCCCC1 240690a_100020586998_100000210647 [0,1,0,1,0,0|1,0,0]=3 8321 B12R1.30 C=CCNC(=O)C1CCCCC1 527a_100020586998_100000210647 [0,1,0,1,0,0|1,0,0]=3 8322 B12R1.30 C=CCNC(=O)C1CCCCO1 1626a_100020586998_100000748299 [0,1,0,1,0,0|1,0,0]=3 8323 B12R1.30 C=CCNC(=O)C1CCCCO1 240690a_100020586998_100000748299 [0,1,0,1,0,0|1,0,0]=3 8324 B12R1.30 C=CCNC(=O)C1CCCCO1 527a_100020586998_100000748299 [0,1,0,1,0,0|1,0,0]=3 8325 B12R1.30 C=CCNC(=O)C1CCCOC1 1626a_100020586998_100000741522 [0,1,0,1,0,0|1,0,0]=3 8326 B12R1.30 C=CCNC(=O)C1CCCOC1 240690a_100020586998_100000741522 [0,1,0,1,0,0|1,0,0]=3 8327 B12R1.30 C=CCNC(=O)C1CCCOC1 527a_100020586998_100000741522 [0,1,0,1,0,0|1,0,0]=3 8328 B12R1.30 C=CCNC(=O)C1CCOCC1 1626a_100020586998_100000195482 [0,1,0,1,0,0|1,0,0]=3 8329 B12R1.30 C=CCNC(=O)C1CCOCC1 240690a_100020586998_100000195482 [0,1,0,1,0,0|1,0,0]=3 8330 B12R1.30 C=CCNC(=O)C1CCOCC1 527a_100020586998_100000195482 [0,1,0,1,0,0|1,0,0]=3 8331 B12R1.30 C=CCNC(=O)C1CCSCC1 1626a_100020586998_100000755232 [0,1,0,1,0,0|1,0,0]=3 8332 B12R1.30 C=CCNC(=O)C1CCSCC1 240690a_100020586998_100000755232 [0,1,0,1,0,0|1,0,0]=3 8333 B12R1.30 C=CCNC(=O)C1CCSCC1 527a_100020586998_100000755232 [0,1,0,1,0,0|1,0,0]=3 8334 B12R1.30 C=CCNC(=O)C1COCCO1 1626a_100020586998_100000045528 [0,1,0,1,0,0|2,0,0]=4 8335 B12R1.30 C=CCNC(=O)C1COCCO1 240690a_100020586998_100000045528 [0,1,0,1,0,0|2,0,0]=4 8336 B12R1.30 C=CCNC(=O)C1COCCO1 527a_100020586998_100000045528 [0,1,0,1,0,0|2,0,0]=4 8337 B12R1.30 C=CCNC(=O)C1SCCCS1 1626a_100020586998_100000028545 [0,1,0,1,0,0|2,0,0]=4 8338 B12R1.30 C=CCNC(=O)C1SCCCS1 240690a_100020586998_100000028545 [0,1,0,1,0,0|2,0,0]=4 8339 B12R1.30 C=CCNC(=O)C1SCCCS1 527a_100020586998_100000028545 [0,1,0,1,0,0|2,0,0]=4 8340 B12R1.30 C=CCNC(=O)N1CCCOC1 273464a_100020586998_100000131196 [0,1,0,1,0,0|2,0,0]=4 8341 B12R1.30 C=CCNC(=O)N1CCOCC1 273464a_100020586998_100015191051 [0,1,0,1,0,0|2,0,0]=4 8342 B12R1.30 C=CCNC(=O)N1CCSCC1 273464a_100020586998_100000737611 [0,1,0,1,0,0|2,0,0]=4 8343 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 1626a_100020586998_100009820709 [0,1,0,1,0,0|1,0,1]=4 8344 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 240690a_100020586998_100009820709 [0,1,0,1,0,0|1,0,1]=4 8345 B12R1.30 C=CCNC(=O)[C@H]1CC=CCC1 527a_100020586998_100009820709 [0,1,0,1,0,0|1,0,1]=4 8346 B12R1.30 C=CCOC(C)C1CCCCC1 34a_100011216961_100015514636 [0,1,0,1,0,0|1,0,1]=4 8347 B12R1.30 C=CCOC(C)C1CCCCC1 7a_100011216961_100015514636 [0,1,0,1,0,0|1,0,1]=4 8348 B12R1.30 C=CCOC(C)C1CCCNC1 34a_100000740858_100015514636 [0,1,0,1,0,0|1,0,1]=4 8349 B12R1.30 C=CCOC(C)C1CCNCC1 34a_100011728446_100015514636 [0,1,0,1,0,0|1,0,1]=4 8350 B12R1.30 C=CCO[C@H](C)C1CCOCC1 34a_100000703848_100015514636 [0,1,0,1,0,0|1,0,1]=4 8351 B12R1.30 C=CCO[C@H](C)C1CCOCC1 7a_100000703848_100015514636 [0,1,0,1,0,0|1,0,1]=4 8352 B12R1.30 CNCOC(=O)C1CCCCC1 2230a_106832991635_100009893799 [0,1,0,1,0,0|1,0,1]=4 8353 B12R1.30 CNCOC(=O)C1CCCCC1 34a_100102657272_100009893799 [0,1,0,1,0,0|1,0,1]=4 8354 B12R1.30 COCOC(=O)C1CCCCC1 34a_100138415774_100009893799 [0,1,0,1,0,0|1,0,1]=4 8355 B12R1.30 CSCOC(=O)C1CCCCC1 62a_100009893799_200000210301 [0,1,0,1,0,0|1,0,1]=4 8356 B12R1.30 CSCOC(=O)C1CCCCC1 62a_200000210301_100009893799 [0,1,0,1,0,0|1,0,1]=4 8357 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_100009893799_200025704644 [0,1,0,1,0,0|1,0,1]=4 8358 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_200025704644_100009893799 [0,1,0,1,0,0|1,0,1]=4 8359 B12R1.374 C=CCOC1CC(CCC1C)C 34a_100011217446_100015514636 [0,1,0,1,0,0|1,0,1]=4 8360 B12R1.374 C=CCOC1CC(CCC1C)C 7a_100011217446_100015514636 [0,1,0,1,0,0|1,0,1]=4 8361 B12R1.912 C=CCCC(=O)N(C)C1CCC1 11a_100000758072_100000749702 [0,1,0,1,0,0|2,0,0]=4 8362 B12R1.912 C=CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000749702 [0,1,0,1,0,0|2,0,0]=4 8363 B12R1.912 C=CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000749702 [0,1,0,1,0,0|2,0,0]=4 8364 B12R1.912 C=CCCC(=O)N(C)C1CCC1 527a_100000758072_100000749702 [0,1,0,1,0,0|2,0,0]=4 8365 B12R1.912 C=CCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230288 [0,1,0,1,0,0|2,0,0]=4 8366 B12R1.912 C=CCNC(=O)N(C)C1CCC1 273464a_100020586998_100000758072 [0,1,0,1,0,0|2,0,0]=4 8367 B12R1.914 C=CCCC(=O)N(C)CC1CC1 11a_100000741881_100000749702 [0,1,0,1,0,0|2,0,0]=4 8368 B12R1.914 C=CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000749702 [0,1,0,1,0,0|2,0,0]=4 8369 B12R1.914 C=CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000749702 [0,1,0,1,0,0|2,0,0]=4 8370 B12R1.914 C=CCCC(=O)N(C)CC1CC1 527a_100000741881_100000749702 [0,1,0,1,0,0|2,0,0]=4 8371 B12R1.914 C=CCNC(=O)C(C)SC1CC1 62a_100000230288_100000211595 [0,1,0,1,0,0|2,0,0]=4 8372 B12R1.914 C=CCNC(=O)N(C)CC1CC1 273464a_100020586998_100000741881 [0,1,0,1,0,0|2,0,0]=4 8373 B12R1.2022 C=CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000754431 [0,1,0,1,0,0|1,0,0]=3 8374 B12R1.2022 C=CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000754431 [0,1,0,1,0,0|1,0,0]=3 8375 B12R1.2022 C=CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000754431 [0,1,0,1,0,0|2,0,0]=4 8376 B12R1.2022 C=CCNC(=O)C1(CCCC1)C 1626a_100020586998_100000239728 [0,1,0,1,0,0|1,0,0]=3 8377 B12R1.2022 C=CCNC(=O)C1(CCCC1)C 240690a_100020586998_100000239728 [0,1,0,1,0,0|1,0,0]=3 8378 B12R1.2022 C=CCNC(=O)C1(CCCC1)C 527a_100020586998_100000239728 [0,1,0,1,0,0|1,0,0]=3 8379 B12R1.2022 C=CCNC(=O)C1(CCCC1)O 240690a_100020586998_100000242637 [0,1,0,1,0,0|1,0,0]=3 8380 B12R1.2022 C=CCNC(=O)C1(CCCC1)O 527a_100020586998_100000242637 [0,1,0,1,0,0|1,0,0]=3 8381 B12R1.2022 C=CCNC(=O)C1(CCCO1)C 1626a_100020586998_100000684770 [0,1,0,1,0,0|2,0,0]=4 8382 B12R1.2022 C=CCNC(=O)C1(CCCO1)C 240690a_100020586998_100000684770 [0,1,0,1,0,0|2,0,0]=4 8383 B12R1.2022 C=CCNC(=O)C1(CCCO1)C 527a_100020586998_100000684770 [0,1,0,1,0,0|2,0,0]=4 8384 B12R1.2025 C=CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000754431 [0,1,0,1,0,0|2,0,0]=4 8385 B12R1.2025 C=CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000754431 [0,1,0,1,0,0|2,0,0]=4 8386 B12R1.2025 C=CCCC(=O)N1CC(C1)CC 11a_100015205115_100000749702 [0,1,0,1,0,0|2,0,0]=4 8387 B12R1.2025 C=CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000749702 [0,1,0,1,0,0|2,0,0]=4 8388 B12R1.2025 C=CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000749702 [0,1,0,1,0,0|2,0,0]=4 8389 B12R1.2025 C=CCCC(=O)N1CC(C1)CC 527a_100015205115_100000749702 [0,1,0,1,0,0|2,0,0]=4 8390 B12R1.2025 C=CCNC(=O)C1CC(C1)CO 1626a_100020586998_206645079618 [0,1,0,1,0,0|2,0,0]=4 8391 B12R1.2025 C=CCNC(=O)C1CC(C1)OC 1626a_100020586998_100011999411 [0,1,0,1,0,0|2,0,0]=4 8392 B12R1.2025 C=CCNC(=O)C1CC(C1)OC 240690a_100020586998_100011999411 [0,1,0,1,0,0|2,0,0]=4 8393 B12R1.2025 C=CCNC(=O)C1CC(C1)OC 527a_100020586998_100011999411 [0,1,0,1,0,0|2,0,0]=4 8394 B12R1.2025 C=CCNC(=O)N1CC(C1)CC 273464a_100020586998_100015205115 [0,1,0,1,0,0|2,0,0]=4 8395 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_100000210718_100000730704 [0,1,0,1,0,0|1,0,0]=3 8396 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_200000688413_100000179811 [0,1,0,1,0,0|1,0,0]=3 8397 B12R1.54 C=C(C)CCC(=O)C1CCCS1 1458a_100012002731_100000730704 [0,1,0,1,0,0|2,0,0]=4 8398 B12R1.54 C=C(C)CCC(=O)C1CCOC1 1458a_100011219752_100000730704 [0,1,0,1,0,0|2,0,0]=4 8399 B12R1.54 C=C(C)CCC(=O)C1CCOC1 1458a_200000688413_100000690089 [0,1,0,1,0,0|2,0,0]=4 8400 B12R1.54 C=C(C)CCC(=O)N1CCCC1 240690a_100000188435_200000688413 [0,1,0,1,0,0|2,0,0]=4 8401 B12R1.54 C=C(C)CCC(=O)N1CCCC1 527a_100000188435_200000688413 [0,1,0,1,0,0|2,0,0]=4 8402 B12R1.54 C=C(C)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000730704 [0,1,0,1,0,0|2,0,0]=4 8403 B12R1.54 C=C(C)CNC(=O)C1CCCC1 11a_100000765925_100000210718 [0,1,0,1,0,0|1,0,0]=3 8404 B12R1.54 C=C(C)CNC(=O)C1CCCC1 1626a_100000765925_100000210718 [0,1,0,1,0,0|1,0,0]=3 8405 B12R1.54 C=C(C)CNC(=O)C1CCCC1 240690a_100000765925_100000210718 [0,1,0,1,0,0|1,0,0]=3 8406 B12R1.54 C=C(C)CNC(=O)C1CCCC1 527a_100000765925_100000210718 [0,1,0,1,0,0|1,0,0]=3 8407 B12R1.54 C=C(C)CNC(=O)C1CCCS1 11a_100000765925_100012002731 [0,1,0,1,0,0|2,0,0]=4 8408 B12R1.54 C=C(C)CNC(=O)C1CCCS1 1626a_100000765925_100012002731 [0,1,0,1,0,0|2,0,0]=4 8409 B12R1.54 C=C(C)CNC(=O)C1CCCS1 240690a_100000765925_100012002731 [0,1,0,1,0,0|2,0,0]=4 8410 B12R1.54 C=C(C)CNC(=O)C1CCCS1 527a_100000765925_100012002731 [0,1,0,1,0,0|2,0,0]=4 8411 B12R1.54 C=C(C)CNC(=O)C1CCOC1 11a_100000765925_100011219752 [0,1,0,1,0,0|2,0,0]=4 8412 B12R1.54 C=C(C)CNC(=O)C1CCOC1 1626a_100000765925_100011219752 [0,1,0,1,0,0|2,0,0]=4 8413 B12R1.54 C=C(C)CNC(=O)C1CCOC1 240690a_100000765925_100011219752 [0,1,0,1,0,0|2,0,0]=4 8414 B12R1.54 C=C(C)CNC(=O)C1CCOC1 527a_100000765925_100011219752 [0,1,0,1,0,0|2,0,0]=4 8415 B12R1.54 C=C(C)CNC(=O)N1CCCC1 2708a_100000765925_100000188435 [0,1,0,1,0,0|2,0,0]=4 8416 B12R1.54 C=C(C)CNC(=O)N1CCCC1 273464a_100000765925_100000188435 [0,1,0,1,0,0|2,0,0]=4 8417 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCCO1 11a_100000765925_100000686382 [0,1,0,1,0,0|2,0,0]=4 8418 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCCO1 1626a_100000765925_100000686382 [0,1,0,1,0,0|2,0,0]=4 8419 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCCO1 240690a_100000765925_100000686382 [0,1,0,1,0,0|2,0,0]=4 8420 B12R1.54 C=C(C)CNC(=O)[C@@H]1CCCO1 527a_100000765925_100000686382 [0,1,0,1,0,0|2,0,0]=4 8421 B12R1.54 C=C(C)COC(C)C1CCCC1 34a_100011216366_100000748629 [0,1,0,1,0,0|1,0,1]=4 8422 B12R1.54 C=C(C)COC(C)C1CCCC1 7a_100011216366_100000748629 [0,1,0,1,0,0|1,0,1]=4 8423 B12R1.54 C=C(F)COC(C)C1CCCC1 34a_100011216366_100009893438 [0,1,0,1,0,0|1,0,1]=4 8424 B12R1.54 C=C(F)COC(C)C1CCCC1 7a_100011216366_100000042424 [0,1,0,1,0,0|1,0,1]=4 8425 B12R1.54 NC(=O)CCC(=O)C1CCCC1 1458a_100011215257_100000179811 [0,1,0,1,0,0|2,0,0]=4 8426 B12R1.54 NC(=O)CNC(=O)C1CCCC1 11a_100000711301_100000210718 [0,1,0,1,0,0|2,0,0]=4 8427 B12R1.54 NC(=O)CNC(=O)C1CCCC1 240690a_100000711301_100000210718 [0,1,0,1,0,0|2,0,0]=4 8428 B12R1.54 NC(=O)CNC(=O)C1CCCC1 527a_100000711301_100000210718 [0,1,0,1,0,0|2,0,0]=4 8429 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,1,0,1,0,0|1,0,1]=4 8430 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,1,0,1,0,0|1,0,1]=4 8431 B12R1.226 C=C(C)COC1CCCC(C1)C 34a_100000211399_100000748629 [0,1,0,1,0,0|1,0,1]=4 8432 B12R1.226 C=C(F)COC1CCCC(C1)C 34a_100000211399_100009893438 [0,1,0,1,0,0|1,0,1]=4 8433 B12R1.230 C=C(C)CCC(=O)N1CCC1C 11a_100000755817_200000688413 [0,1,0,1,0,0|2,0,0]=4 8434 B12R1.230 C=C(C)CCC(=O)N1CCC1C 240690a_100000755817_200000688413 [0,1,0,1,0,0|2,0,0]=4 8435 B12R1.230 C=C(C)CCC(=O)N1CCC1C 527a_100000755817_200000688413 [0,1,0,1,0,0|2,0,0]=4 8436 B12R1.230 C=C(C)CNC(=O)N1CCC1C 2708a_100000765925_100000755817 [0,1,0,1,0,0|2,0,0]=4 8437 B12R1.230 C=C(C)CNC(=O)N1CCC1C 273464a_100000765925_100000755817 [0,1,0,1,0,0|2,0,0]=4 8438 B12R1.397 C=C(C)CCC(=O)C1CC1CC 1458a_200011661523_100000730704 [0,1,0,1,0,0|1,0,0]=3 8439 B12R1.397 C=C(C)CNC(=O)C1CC1CC 11a_100000765925_200011661523 [0,1,0,1,0,0|1,0,0]=3 8440 B12R1.397 C=C(C)CNC(=O)C1CC1CC 1626a_100000765925_200011661523 [0,1,0,1,0,0|1,0,0]=3 8441 B12R1.397 C=C(C)CNC(=O)C1CC1CC 240690a_100000765925_200011661523 [0,1,0,1,0,0|1,0,0]=3 8442 B12R1.397 C=C(C)CNC(=O)C1CC1CC 527a_100000765925_200011661523 [0,1,0,1,0,0|1,0,0]=3 8443 B12R1.397 CCC1CC1C(=O)NCC(=O)N 11a_100000711301_200011661523 [0,1,0,1,0,0|2,0,0]=4 8444 B12R1.397 CCC1CC1C(=O)NCC(=O)N 240690a_100000711301_200011661523 [0,1,0,1,0,0|2,0,0]=4 8445 B12R1.397 CCC1CC1C(=O)NCC(=O)N 527a_100000711301_200011661523 [0,1,0,1,0,0|2,0,0]=4 8446 B12R1.484 C#CCOCC(=O)CCC1CC1 1458a_100011251226_100000694398 [0,1,0,1,0,0|0,0,2]=4 8447 B12R1.484 C/C=C/C=CC(=O)CCC1CC1 1458a_100000185730_100000694398 [0,1,0,1,0,0|1,0,1]=4 8448 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [0,1,0,1,0,0|1,0,0]=3 8449 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [0,1,0,1,0,0|1,0,0]=3 8450 B12R1.484 C=CCCCC(=O)CCC1CO1 1458a_100000766728_100000732470 [0,1,0,1,0,0|2,0,0]=4 8451 B12R1.484 C=CCCCC(=O)NCC1CC1 11a_100000735609_100000766728 [0,1,0,1,0,0|2,0,0]=4 8452 B12R1.484 C=CCCCC(=O)NCC1CC1 1626a_100000735609_100000766728 [0,1,0,1,0,0|2,0,0]=4 8453 B12R1.484 C=CCCCC(=O)NCC1CC1 240690a_100000735609_100000766728 [0,1,0,1,0,0|2,0,0]=4 8454 B12R1.484 C=CCCCC(=O)NCC1CC1 527a_100000735609_100000766728 [0,1,0,1,0,0|2,0,0]=4 8455 B12R1.484 C=CCCNC(=O)CCC1CC1 11a_100015191253_100000756386 [0,1,0,1,0,0|1,0,0]=3 8456 B12R1.484 C=CCCNC(=O)CCC1CC1 1626a_100015191253_100000756386 [0,1,0,1,0,0|1,0,0]=3 8457 B12R1.484 C=CCCNC(=O)CCC1CC1 240690a_100015191253_100000756386 [0,1,0,1,0,0|1,0,0]=3 8458 B12R1.484 C=CCCNC(=O)CCC1CC1 527a_100015191253_100000756386 [0,1,0,1,0,0|1,0,0]=3 8459 B12R1.484 C=CCCNC(=O)NCC1CC1 2708a_100000735609_100015191253 [0,1,0,1,0,0|2,0,0]=4 8460 B12R1.484 C=CCCNC(=O)NCC1CC1 2708a_100015191253_100000735609 [0,1,0,1,0,0|2,0,0]=4 8461 B12R1.484 C=CCCNC(=O)NCC1CC1 273464a_100000735609_100015191253 [0,1,0,1,0,0|2,0,0]=4 8462 B12R1.484 C=CCCNC(=O)NCC1CC1 273464a_100015191253_100000735609 [0,1,0,1,0,0|2,0,0]=4 8463 B12R1.484 C=CCCNC(=O)NCC1CC1 512a_100000735609_100015191253 [0,1,0,1,0,0|2,0,0]=4 8464 B12R1.484 C=CCCNC(=O)NCC1CC1 512a_100015191253_100000735609 [0,1,0,1,0,0|2,0,0]=4 8465 B12R1.484 C=CCNNC(=O)CCC1CC1 22a_100020588587_100000756386 [0,1,0,1,0,0|1,0,0]=3 8466 B12R1.484 C=CCNNC(=O)NCC1CC1 273464a_100000735609_100020588587 [0,1,0,1,0,0|2,0,0]=4 8467 B12R1.484 C=CCNNC(=O)NCC1CC1 512a_100000735609_100020588587 [0,1,0,1,0,0|2,0,0]=4 8468 B12R1.484 C=CCNNC(=O)NCC1CC1 512a_100020588587_100000735609 [0,1,0,1,0,0|2,0,0]=4 8469 B12R1.484 C=CCSCC(=O)CCC1CC1 1458a_100000230395_100000694398 [0,1,0,1,0,0|0,1,0]=3 8470 B12R1.484 C=CCSCC(=O)CCC1CO1 1458a_100000230395_100000732470 [0,1,0,1,0,0|1,1,0]=4 8471 B12R1.484 C=CCSCC(=O)NCC1CC1 11a_100000735609_100000230395 [0,1,0,1,0,0|1,1,0]=4 8472 B12R1.484 C=CCSCC(=O)NCC1CC1 1626a_100000735609_100000230395 [0,1,0,1,0,0|1,1,0]=4 8473 B12R1.484 C=CCSCC(=O)NCC1CC1 240690a_100000735609_100000230395 [0,1,0,1,0,0|1,1,0]=4 8474 B12R1.484 C=CCSCC(=O)NCC1CC1 527a_100000735609_100000230395 [0,1,0,1,0,0|1,1,0]=4 8475 B12R1.484 C=COCCC(=O)CCC1CC1 1458a_100000756386_100000039644 [0,1,0,1,0,0|1,0,0]=3 8476 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [0,1,0,1,0,0|0,0,2]=4 8477 B12R1.484 O=C(CCC1CC1)COCCO 1458a_100000708028_100000694398 [0,1,0,1,0,0|1,0,1]=4 8478 B12R1.486 C=C1CC(C1)C(=O)CCCCC 1458a_100000065620_100000210326 [0,1,0,1,0,0|1,0,0]=3 8479 B12R1.486 C=C1CC(C1)C(=O)CCCCF 1458a_100000065620_100000729493 [0,1,0,1,0,0|2,0,0]=4 8480 B12R1.486 C=C1CC(C1)C(=O)CCCCO 1458a_100000065620_100000210776 [0,1,0,1,0,0|2,0,0]=4 8481 B12R1.486 C=C1CC(C1)C(=O)CCCOC 1458a_100000065620_100000740836 [0,1,0,1,0,0|2,0,0]=4 8482 B12R1.486 C=C1CC(C1)C(=O)CCOCC 1458a_100000065620_100011215890 [0,1,0,1,0,0|2,0,0]=4 8483 B12R1.486 C=C1CC(C1)C(=O)CCSCC 1458a_100000065620_100000757381 [0,1,0,1,0,0|2,0,0]=4 8484 B12R1.486 C=C1CC(C1)C(=O)NCCCC 11a_100000102301_100000065620 [0,1,0,1,0,0|2,0,0]=4 8485 B12R1.486 C=C1CC(C1)C(=O)NCCCC 1626a_100000102301_100000065620 [0,1,0,1,0,0|2,0,0]=4 8486 B12R1.486 C=C1CC(C1)C(=O)NCCCC 240690a_100000102301_100000065620 [0,1,0,1,0,0|2,0,0]=4 8487 B12R1.486 C=C1CC(C1)C(=O)NCCCC 527a_100000102301_100000065620 [0,1,0,1,0,0|2,0,0]=4 8488 B12R1.486 CCCCCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000210326 [0,1,0,1,0,0|2,0,0]=4 8489 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_100000763092_100000730704 [0,1,0,1,0,0|1,0,0]=3 8490 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_200000688413_100000763275 [0,1,0,1,0,0|1,0,0]=3 8491 B12R1.551 C=C(C)CCC(=O)CC1CCO1 1458a_200000688413_100000103362 [0,1,0,1,0,0|2,0,0]=4 8492 B12R1.551 C=C(C)CCC(=O)CC1COC1 1458a_100000687760_100000730704 [0,1,0,1,0,0|2,0,0]=4 8493 B12R1.551 C=C(C)CCC(=O)CC1COC1 1458a_200000688413_100010264016 [0,1,0,1,0,0|2,0,0]=4 8494 B12R1.551 C=C(C)CCC(=O)NC1CCC1 11a_100000749019_200000688413 [0,1,0,1,0,0|2,0,0]=4 8495 B12R1.551 C=C(C)CCC(=O)NC1CCC1 1626a_100000749019_200000688413 [0,1,0,1,0,0|2,0,0]=4 8496 B12R1.551 C=C(C)CCC(=O)NC1CCC1 240690a_100000749019_200000688413 [0,1,0,1,0,0|2,0,0]=4 8497 B12R1.551 C=C(C)CCC(=O)NC1CCC1 527a_100000749019_200000688413 [0,1,0,1,0,0|2,0,0]=4 8498 B12R1.551 C=C(C)CNC(=O)CC1CCC1 11a_100000765925_100000763092 [0,1,0,1,0,0|1,0,0]=3 8499 B12R1.551 C=C(C)CNC(=O)CC1CCC1 1626a_100000765925_100000763092 [0,1,0,1,0,0|1,0,0]=3 8500 B12R1.551 C=C(C)CNC(=O)CC1CCC1 240690a_100000765925_100000763092 [0,1,0,1,0,0|1,0,0]=3 8501 B12R1.551 C=C(C)CNC(=O)CC1CCC1 527a_100000765925_100000763092 [0,1,0,1,0,0|1,0,0]=3 8502 B12R1.551 C=C(C)CNC(=O)CC1COC1 11a_100000765925_100000687760 [0,1,0,1,0,0|2,0,0]=4 8503 B12R1.551 C=C(C)CNC(=O)CC1COC1 1626a_100000765925_100000687760 [0,1,0,1,0,0|2,0,0]=4 8504 B12R1.551 C=C(C)CNC(=O)NC1CCC1 2708a_100000765925_100000749019 [0,1,0,1,0,0|2,0,0]=4 8505 B12R1.551 C=C(C)CNC(=O)NC1CCC1 273464a_100000749019_100000765925 [0,1,0,1,0,0|2,0,0]=4 8506 B12R1.551 C=C(C)CNC(=O)NC1CCC1 273464a_100000765925_100000749019 [0,1,0,1,0,0|2,0,0]=4 8507 B12R1.551 C=C(C)CNC(=O)NC1CCC1 512a_100000749019_100000765925 [0,1,0,1,0,0|2,0,0]=4 8508 B12R1.551 C=C(C)CNC(=O)NC1CCC1 512a_100000765925_100000749019 [0,1,0,1,0,0|2,0,0]=4 8509 B12R1.551 NC(=O)CCC(=O)CC1CCC1 1458a_100011215257_100000763275 [0,1,0,1,0,0|2,0,0]=4 8510 B12R1.551 NC(=O)CNC(=O)CC1CCC1 11a_100000711301_100000763092 [0,1,0,1,0,0|2,0,0]=4 8511 B12R1.551 NC(=O)CNC(=O)CC1CCC1 240690a_100000711301_100000763092 [0,1,0,1,0,0|2,0,0]=4 8512 B12R1.551 NC(=O)CNC(=O)CC1CCC1 527a_100000711301_100000763092 [0,1,0,1,0,0|2,0,0]=4 8513 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_100000756386_100000730704 [0,1,0,1,0,0|1,0,0]=3 8514 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_200000688413_100000694398 [0,1,0,1,0,0|1,0,0]=3 8515 B12R1.552 C=C(C)CCC(=O)CCC1CO1 1458a_200000688413_100000732470 [0,1,0,1,0,0|2,0,0]=4 8516 B12R1.552 C=C(C)CCC(=O)NCC1CC1 11a_100000735609_200000688413 [0,1,0,1,0,0|2,0,0]=4 8517 B12R1.552 C=C(C)CCC(=O)NCC1CC1 1626a_100000735609_200000688413 [0,1,0,1,0,0|2,0,0]=4 8518 B12R1.552 C=C(C)CCC(=O)NCC1CC1 240690a_100000735609_200000688413 [0,1,0,1,0,0|2,0,0]=4 8519 B12R1.552 C=C(C)CCC(=O)NCC1CC1 527a_100000735609_200000688413 [0,1,0,1,0,0|2,0,0]=4 8520 B12R1.552 C=C(C)CNC(=O)CCC1CC1 11a_100000765925_100000756386 [0,1,0,1,0,0|1,0,0]=3 8521 B12R1.552 C=C(C)CNC(=O)CCC1CC1 1626a_100000765925_100000756386 [0,1,0,1,0,0|1,0,0]=3 8522 B12R1.552 C=C(C)CNC(=O)CCC1CC1 240690a_100000765925_100000756386 [0,1,0,1,0,0|1,0,0]=3 8523 B12R1.552 C=C(C)CNC(=O)CCC1CC1 527a_100000765925_100000756386 [0,1,0,1,0,0|1,0,0]=3 8524 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000735609_100000765925 [0,1,0,1,0,0|2,0,0]=4 8525 B12R1.552 C=C(C)CNC(=O)NCC1CC1 2708a_100000765925_100000735609 [0,1,0,1,0,0|2,0,0]=4 8526 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000735609_100000765925 [0,1,0,1,0,0|2,0,0]=4 8527 B12R1.552 C=C(C)CNC(=O)NCC1CC1 273464a_100000765925_100000735609 [0,1,0,1,0,0|2,0,0]=4 8528 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000735609_100000765925 [0,1,0,1,0,0|2,0,0]=4 8529 B12R1.552 C=C(C)CNC(=O)NCC1CC1 512a_100000765925_100000735609 [0,1,0,1,0,0|2,0,0]=4 8530 B12R1.552 NC(=O)CCC(=O)CCC1CC1 1458a_100011215257_100000694398 [0,1,0,1,0,0|2,0,0]=4 8531 B12R1.552 NC(=O)CNC(=O)CCC1CC1 11a_100000711301_100000756386 [0,1,0,1,0,0|2,0,0]=4 8532 B12R1.552 NC(=O)CNC(=O)CCC1CC1 240690a_100000711301_100000756386 [0,1,0,1,0,0|2,0,0]=4 8533 B12R1.552 NC(=O)CNC(=O)CCC1CC1 527a_100000711301_100000756386 [0,1,0,1,0,0|2,0,0]=4 8534 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210245_100011217769 [0,1,0,1,0,0|1,0,1]=4 8535 B12R1.1343 C=C(C)COC1CCCCCC1 34a_100000210887_100000748629 [0,1,0,1,0,0|1,0,1]=4 8536 B12R1.1343 C=C(C)COC1CCCCCC1 7a_100000210887_100000748629 [0,1,0,1,0,0|1,0,1]=4 8537 B12R1.1343 C=C(F)COC1CCCCCC1 34a_100000210887_100009893438 [0,1,0,1,0,0|1,0,1]=4 8538 B12R1.1343 C=C(F)COC1CCCCCC1 34a_200010262243_100011217769 [0,1,0,1,0,0|1,0,1]=4 8539 B12R1.1343 C=C(F)COC1CCCCCC1 7a_100000210887_100000042424 [0,1,0,1,0,0|1,0,1]=4 8540 B12R1.3110 C=C(C)COC1(CCCCC1)C 34a_100011215885_100000748629 [0,1,0,1,0,0|1,0,1]=4 8541 B12R1.3110 C=C(C)COC1(CCCCC1)C 7a_100011215885_100000748629 [0,1,0,1,0,0|1,0,1]=4 8542 B12R1.3110 C=C(F)COC1(CCCCC1)C 34a_100011215885_100009893438 [0,1,0,1,0,0|1,0,1]=4 8543 B12R1.3110 C=C(F)COC1(CCCCC1)C 7a_100011215885_100000042424 [0,1,0,1,0,0|1,0,1]=4 8544 B12R1.71 C=CCOC1CCC(CC1)CC 34a_100011215326_100015514636 [0,1,0,1,0,0|1,0,1]=4 8545 B12R1.71 C=CCOC1CCC(CC1)CC 7a_100011215326_100015514636 [0,1,0,1,0,0|1,0,1]=4 8546 B12R1.385 C=CCOC1CCC(C(C1)C)C 34a_100011215933_100015514636 [0,1,0,1,0,0|1,0,1]=4 8547 B12R1.385 C=CCOC1CCC(C(C1)C)C 7a_100011215933_100015514636 [0,1,0,1,0,0|1,0,1]=4 8548 B12R1.463 C=CC=CC(=O)NCC1CCC1 1626a_100000738700_100016291481 [0,1,0,1,0,0|1,0,1]=4 8549 B12R1.463 C=CCCC(=O)NCC1CCC1 11a_100000738700_100000749702 [0,1,0,1,0,0|1,0,0]=3 8550 B12R1.463 C=CCCC(=O)NCC1CCC1 1626a_100000738700_100000749702 [0,1,0,1,0,0|1,0,0]=3 8551 B12R1.463 C=CCCC(=O)NCC1CCC1 240690a_100000738700_100000749702 [0,1,0,1,0,0|1,0,0]=3 8552 B12R1.463 C=CCCC(=O)NCC1CCC1 527a_100000738700_100000749702 [0,1,0,1,0,0|1,0,0]=3 8553 B12R1.463 C=CCCC(=O)NCC1COC1 11a_100015281925_100000749702 [0,1,0,1,0,0|2,0,0]=4 8554 B12R1.463 C=CCCC(=O)NCC1COC1 1626a_100015281925_100000749702 [0,1,0,1,0,0|2,0,0]=4 8555 B12R1.463 C=CCCC(=O)NCC1COC1 240690a_100015281925_100000749702 [0,1,0,1,0,0|2,0,0]=4 8556 B12R1.463 C=CCCC(=O)NCC1COC1 527a_100015281925_100000749702 [0,1,0,1,0,0|2,0,0]=4 8557 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000749702 [0,1,0,1,0,0|2,0,0]=4 8558 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000749702 [0,1,0,1,0,0|2,0,0]=4 8559 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000749702 [0,1,0,1,0,0|2,0,0]=4 8560 B12R1.463 C=CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000749702 [0,1,0,1,0,0|2,0,0]=4 8561 B12R1.463 C=CCCC(=O)NNC1CCC1 22a_100000736358_100000749702 [0,1,0,1,0,0|2,0,0]=4 8562 B12R1.463 C=CCNC(=O)CCN1CCC1 269982a_100000754969_100011222895 [0,1,0,1,0,0|1,0,0]=3 8563 B12R1.463 C=CCNC(=O)CNC1CCC1 2230a_100000749019_100000183597 [0,1,0,1,0,0|1,0,0]=3 8564 B12R1.463 C=CCNC(=O)CNC1COC1 2230a_100016991112_100000183597 [0,1,0,1,0,0|2,0,0]=4 8565 B12R1.463 C=CCNC(=O)COC1CSC1 7a_100000072292_100000183597 [0,1,0,1,0,0|2,0,0]=4 8566 B12R1.463 C=CCNC(=O)CSC1CCC1 62a_100000183597_100000749161 [0,1,0,1,0,0|1,0,0]=3 8567 B12R1.463 C=CCNC(=O)CSC1COC1 62a_100000183597_100009818527 [0,1,0,1,0,0|2,0,0]=4 8568 B12R1.463 C=CCNC(=O)NCC1CCC1 2708a_100000738700_100020586998 [0,1,0,1,0,0|1,0,0]=3 8569 B12R1.463 C=CCNC(=O)NCC1CCC1 273464a_100000738700_100020586998 [0,1,0,1,0,0|1,0,0]=3 8570 B12R1.463 C=CCNC(=O)NCC1CCC1 273464a_100020586998_100000738700 [0,1,0,1,0,0|1,0,0]=3 8571 B12R1.463 C=CCNC(=O)NCC1CCC1 512a_100000738700_100020586998 [0,1,0,1,0,0|1,0,0]=3 8572 B12R1.463 C=CCNC(=O)NCC1CCC1 512a_100020586998_100000738700 [0,1,0,1,0,0|1,0,0]=3 8573 B12R1.463 C=CCNC(=O)NCC1COC1 2708a_100015281925_100020586998 [0,1,0,1,0,0|2,0,0]=4 8574 B12R1.463 C=CCNC(=O)NCC1COC1 273464a_100015281925_100020586998 [0,1,0,1,0,0|2,0,0]=4 8575 B12R1.463 C=CCNC(=O)NCC1COC1 273464a_100020586998_100015281925 [0,1,0,1,0,0|2,0,0]=4 8576 B12R1.463 C=CCNC(=O)NCC1COC1 512a_100015281925_100020586998 [0,1,0,1,0,0|2,0,0]=4 8577 B12R1.463 C=CCNC(=O)NCC1COC1 512a_100020586998_100015281925 [0,1,0,1,0,0|2,0,0]=4 8578 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100020586998 [0,1,0,1,0,0|2,0,0]=4 8579 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 273464a_100020586998_100020831831 [0,1,0,1,0,0|2,0,0]=4 8580 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100020586998 [0,1,0,1,0,0|2,0,0]=4 8581 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 512a_100020586998_100020831831 [0,1,0,1,0,0|2,0,0]=4 8582 B12R1.463 C=CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100020586998 [0,1,0,1,0,0|2,0,0]=4 8583 B12R1.463 C=CCNC(=O)NNC1CCC1 273464a_100020586998_100000736358 [0,1,0,1,0,0|2,0,0]=4 8584 B12R1.463 C=CCNC(=O)NNC1CCC1 512a_100000736358_100020586998 [0,1,0,1,0,0|2,0,0]=4 8585 B12R1.463 C=CCNC(=O)NNC1CCC1 512a_100020586998_100000736358 [0,1,0,1,0,0|2,0,0]=4 8586 B12R1.463 C=CCOC(=O)CNC1CCC1 2230a_100000749019_100000033060 [0,1,0,1,0,0|0,0,0]=2 8587 B12R1.463 C=CCOC(=O)CNC1CCC1 34a_100000749019_100000033060 [0,1,0,1,0,0|0,0,0]=2 8588 B12R1.463 C=CCOC(=O)CNC1COC1 2230a_100016991112_100000033060 [0,1,0,1,0,0|1,0,0]=3 8589 B12R1.463 C=CCOC(=O)COC1CCC1 34a_100000748187_100000033060 [0,1,0,1,0,0|0,0,0]=2 8590 B12R1.463 C=CCOC(=O)COC1CSC1 7a_100000072292_100000033060 [0,1,0,1,0,0|1,0,0]=3 8591 B12R1.463 C=CCOC(=O)CSC1CCC1 62a_100000033060_100000749161 [0,1,0,1,0,0|0,0,0]=2 8592 B12R1.463 C=CCOC(=O)CSC1COC1 62a_100000033060_100009818527 [0,1,0,1,0,0|1,0,0]=3 8593 B12R1.463 CCCOC(=O)CNC1CCC1 2230a_100000749019_200011215008 [0,1,0,1,0,0|0,0,2]=4 8594 B12R1.463 CCCOC(=O)CNC1CCC1 34a_100000749019_200011215008 [0,1,0,1,0,0|0,0,2]=4 8595 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,1,0,1,0,0|0,0,2]=4 8596 B12R1.463 CCCOC(=O)CSC1CCC1 62a_200011215008_100000749161 [0,1,0,1,0,0|0,0,2]=4 8597 B12R1.549 C=CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183597 [0,1,0,1,0,0|2,0,0]=4 8598 B12R1.549 C=CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183597 [0,1,0,1,0,0|2,0,0]=4 8599 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000033060 [0,1,0,1,0,0|1,0,0]=3 8600 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000033060 [0,1,0,1,0,0|1,0,0]=3 8601 B12R1.549 C=CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000033060 [0,1,0,1,0,0|1,0,0]=3 8602 B12R1.882 C=CCCC(=O)NCC1(CC1)C 11a_100000766693_100000749702 [0,1,0,1,0,0|2,0,0]=4 8603 B12R1.882 C=CCCC(=O)NCC1(CC1)C 1626a_100000766693_100000749702 [0,1,0,1,0,0|2,0,0]=4 8604 B12R1.882 C=CCCC(=O)NCC1(CC1)C 240690a_100000766693_100000749702 [0,1,0,1,0,0|2,0,0]=4 8605 B12R1.882 C=CCCC(=O)NCC1(CC1)C 527a_100000766693_100000749702 [0,1,0,1,0,0|2,0,0]=4 8606 B12R1.882 C=CCCC(=O)NCC1(CC1)O 11a_100011936951_100000749702 [0,1,0,1,0,0|2,0,0]=4 8607 B12R1.882 C=CCCC(=O)NCC1(CC1)O 240690a_100011936951_100000749702 [0,1,0,1,0,0|2,0,0]=4 8608 B12R1.882 C=CCCC(=O)NCC1(CC1)O 527a_100011936951_100000749702 [0,1,0,1,0,0|2,0,0]=4 8609 B12R1.882 C=CCNC(=O)CNC1(CC1)C 2230a_100000757604_100000183597 [0,1,0,1,0,0|2,0,0]=4 8610 B12R1.882 C=CCNC(=O)COC1(CC1)C 7a_100011725673_100000183597 [0,1,0,1,0,0|2,0,0]=4 8611 B12R1.882 C=CCNC(=O)NCC1(CC1)C 2708a_100000766693_100020586998 [0,1,0,1,0,0|2,0,0]=4 8612 B12R1.882 C=CCNC(=O)NCC1(CC1)C 273464a_100000766693_100020586998 [0,1,0,1,0,0|2,0,0]=4 8613 B12R1.882 C=CCNC(=O)NCC1(CC1)C 273464a_100020586998_100000766693 [0,1,0,1,0,0|2,0,0]=4 8614 B12R1.882 C=CCNC(=O)NCC1(CC1)C 512a_100000766693_100020586998 [0,1,0,1,0,0|2,0,0]=4 8615 B12R1.882 C=CCNC(=O)NCC1(CC1)C 512a_100020586998_100000766693 [0,1,0,1,0,0|2,0,0]=4 8616 B12R1.882 C=CCNC(=O)NCC1(CC1)O 2708a_100011936951_100020586998 [0,1,0,1,0,0|2,0,0]=4 8617 B12R1.882 C=CCNC(=O)NCC1(CC1)O 273464a_100020586998_100011936951 [0,1,0,1,0,0|2,0,0]=4 8618 B12R1.882 C=CCNC(=O)NCC1(CC1)O 512a_100011936951_100020586998 [0,1,0,1,0,0|2,0,0]=4 8619 B12R1.882 C=CCNC(=O)NCC1(CC1)O 512a_100020586998_100011936951 [0,1,0,1,0,0|2,0,0]=4 8620 B12R1.882 C=CCOC(=O)CNC1(CC1)C 2230a_100000757604_100000033060 [0,1,0,1,0,0|1,0,0]=3 8621 B12R1.882 C=CCOC(=O)COC1(CC1)C 7a_100011725673_100000033060 [0,1,0,1,0,0|1,0,0]=3 8622 B12R1.925 C=CCNC(=O)CN1CCC1C 269982a_100000755817_100000183597 [0,1,0,1,0,0|1,0,0]=3 8623 B12R1.925 C=CCOC(=O)CN1CCC1C 269982a_100000755817_100000033060 [0,1,0,1,0,0|0,0,0]=2 8624 B12R1.925 C=CCOC(=O)CN1CCC1C 34a_100000755817_100000033060 [0,1,0,1,0,0|0,0,0]=2 8625 B12R1.925 CCCOC(=O)CN1CCC1C 269982a_100000755817_200011215008 [0,1,0,1,0,0|0,0,2]=4 8626 B12R1.925 CCCOC(=O)CN1CCC1C 34a_100000755817_200011215008 [0,1,0,1,0,0|0,0,2]=4 8627 B12R1.2023 C=CCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000749702 [0,1,0,1,0,0|2,0,0]=4 8628 B12R1.2023 C=CCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000749702 [0,1,0,1,0,0|2,0,0]=4 8629 B12R1.2023 C=CCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000749702 [0,1,0,1,0,0|2,0,0]=4 8630 B12R1.2023 C=CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100020586998_206633788156 [0,1,0,1,0,0|2,0,0]=4 8631 B12R1.2217 CCC(C)SC1C(=O)COC1=O 62a_100000758301_100000032967 [0,1,0,1,0,0|2,0,0]=4 8632 B12R1.2259 C=CCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100015514636 [0,1,0,1,0,0|1,0,1]=4 8633 B12R1.8 CCOCCCC1=CCC=CC1 34a_100020667889_100000210202 [0,1,0,1,0,0|2,0,0]=4 8634 B12R1.267 CCCCOc1cccoc1=O 34a_100000077404_100000210210 [0,1,0,1,0,0|0,0,2]=4 8635 B12R1.267 CCCCOc1cccoc1=O 7a_100000077404_100000210211 [0,1,0,1,0,0|0,0,2]=4 8636 B12R1.329 C=CCOC1C=CCCCCC1 34a_100000688657_100015514636 [0,1,0,1,0,0|1,0,1]=4 8637 B12R1.329 C=CCOC1CCCCCCC1 34a_100000210054_100015514636 [0,1,0,1,0,0|1,0,1]=4 8638 B12R1.329 C=CCOC1CCCCCCC1 7a_100000210054_100015514636 [0,1,0,1,0,0|1,0,1]=4 8639 B12R1.382 C=CCOC1CCCC(C1)CC 7a_100011985506_100015514636 [0,1,0,1,0,0|1,0,1]=4 8640 B12R1.382 C=CCOC1CCCC(C1)CN 34a_100011254705_100015514636 [0,1,0,1,0,0|1,0,1]=4 8641 B12R1.464 C=CC=CC(=O)CCCC1CO1 1458a_100016291481_100000733510 [0,1,0,1,0,0|1,0,1]=4 8642 B12R1.464 C=CC=CC(=O)NCCC1CC1 1626a_100000764129_100016291481 [0,1,0,1,0,0|1,0,1]=4 8643 B12R1.464 C=CCCC(=O)CC#CC1CC1 1458a_100000749702_100009895102 [0,1,0,1,0,0|1,0,1]=4 8644 B12R1.464 C=CCCC(=O)CCCC1CO1 1458a_100000749702_100000733510 [0,1,0,1,0,0|1,0,0]=3 8645 B12R1.464 C=CCCC(=O)CSCC1CC1 1458a_200011316215_100000754431 [0,1,0,1,0,0|1,0,0]=3 8646 B12R1.464 C=CCCC(=O)NCCC1CC1 1626a_100000764129_100000749702 [0,1,0,1,0,0|1,0,0]=3 8647 B12R1.464 C=CCCC(=O)NCCC1CC1 240690a_100000764129_100000749702 [0,1,0,1,0,0|1,0,0]=3 8648 B12R1.464 C=CCCC(=O)NCCC1CC1 527a_100000764129_100000749702 [0,1,0,1,0,0|1,0,0]=3 8649 B12R1.464 C=CCCC(=O)NNCC1CC1 22a_100000736359_100000749702 [0,1,0,1,0,0|2,0,0]=4 8650 B12R1.464 C=CCNC(=O)CCSC1CC1 62a_100011222895_100000211595 [0,1,0,1,0,0|1,0,0]=3 8651 B12R1.464 C=CCNC(=O)CNCC1CC1 2230a_100000735609_100000183597 [0,1,0,1,0,0|1,0,0]=3 8652 B12R1.464 C=CCNC(=O)CSCC1CC1 1626a_100020586998_200011316215 [0,1,0,1,0,0|1,0,0]=3 8653 B12R1.464 C=CCNC(=O)CSCC1CC1 240690a_100020586998_200011316215 [0,1,0,1,0,0|1,0,0]=3 8654 B12R1.464 C=CCNC(=O)CSCC1CC1 527a_100020586998_200011316215 [0,1,0,1,0,0|1,0,0]=3 8655 B12R1.464 C=CCNC(=O)CSCC1CC1 62a_100000183597_100000742324 [0,1,0,1,0,0|1,0,0]=3 8656 B12R1.464 C=CCNC(=O)CSCC1CC1 62a_100000756562_100000183597 [0,1,0,1,0,0|1,0,0]=3 8657 B12R1.464 C=CCNC(=O)CSCC1CO1 62a_100000183597_102125554688 [0,1,0,1,0,0|2,0,0]=4 8658 B12R1.464 C=CCNC(=O)CSCC1CO1 62a_102125554688_100000183597 [0,1,0,1,0,0|2,0,0]=4 8659 B12R1.464 C=CCNC(=O)CSCC1CS1 62a_100000031435_100000183597 [0,1,0,1,0,0|2,0,0]=4 8660 B12R1.464 C=CCNC(=O)CSCC1CS1 62a_100000183597_100000031435 [0,1,0,1,0,0|2,0,0]=4 8661 B12R1.464 C=CCNC(=O)CSC[C@@H]1CO1 62a_100000183597_100000745022 [0,1,0,1,0,0|2,0,0]=4 8662 B12R1.464 C=CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183597 [0,1,0,1,0,0|2,0,0]=4 8663 B12R1.464 C=CCNC(=O)NCCC1CC1 2708a_100000764129_100020586998 [0,1,0,1,0,0|1,0,0]=3 8664 B12R1.464 C=CCNC(=O)NCCC1CC1 273464a_100000764129_100020586998 [0,1,0,1,0,0|1,0,0]=3 8665 B12R1.464 C=CCNC(=O)NCCC1CC1 273464a_100020586998_100000764129 [0,1,0,1,0,0|1,0,0]=3 8666 B12R1.464 C=CCNC(=O)NCCC1CC1 512a_100000764129_100020586998 [0,1,0,1,0,0|1,0,0]=3 8667 B12R1.464 C=CCNC(=O)NCCC1CC1 512a_100020586998_100000764129 [0,1,0,1,0,0|1,0,0]=3 8668 B12R1.464 C=CCNC(=O)NNCC1CC1 273464a_100020586998_100000736359 [0,1,0,1,0,0|2,0,0]=4 8669 B12R1.464 C=CCNC(=O)NNCC1CC1 512a_100000736359_100020586998 [0,1,0,1,0,0|2,0,0]=4 8670 B12R1.464 C=CCNC(=O)NNCC1CC1 512a_100020586998_100000736359 [0,1,0,1,0,0|2,0,0]=4 8671 B12R1.464 C=CCOC(=O)CNCC1CC1 2230a_100000735609_100000033060 [0,1,0,1,0,0|0,0,0]=2 8672 B12R1.464 C=CCOC(=O)CNCC1CC1 34a_100000735609_100000033060 [0,1,0,1,0,0|0,0,0]=2 8673 B12R1.464 C=CCOC(=O)COCC1CC1 34a_100000211283_100000033060 [0,1,0,1,0,0|0,0,0]=2 8674 B12R1.464 C=CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000033060 [0,1,0,1,0,0|1,0,0]=3 8675 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000033060_100000742324 [0,1,0,1,0,0|0,0,0]=2 8676 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000756562_100000033060 [0,1,0,1,0,0|0,0,0]=2 8677 B12R1.464 C=CCOC(=O)CSCC1CO1 62a_100000033060_102125554688 [0,1,0,1,0,0|1,0,0]=3 8678 B12R1.464 C=CCOC(=O)CSCC1CO1 62a_102125554688_100000033060 [0,1,0,1,0,0|1,0,0]=3 8679 B12R1.464 C=CCOC(=O)CSCC1CS1 62a_100000031435_100000033060 [0,1,0,1,0,0|1,0,0]=3 8680 B12R1.464 C=CCOC(=O)CSCC1CS1 62a_100000033060_100000031435 [0,1,0,1,0,0|1,0,0]=3 8681 B12R1.464 C=CCOC(=O)CSC[C@@H]1CO1 62a_100000033060_100000745022 [0,1,0,1,0,0|1,0,0]=3 8682 B12R1.464 C=CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000033060 [0,1,0,1,0,0|1,0,0]=3 8683 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,1,0,1,0,0|0,0,2]=4 8684 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,1,0,1,0,0|0,0,2]=4 8685 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,1,0,1,0,0|0,0,2]=4 8686 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,1,0,1,0,0|0,0,2]=4 8687 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,1,0,1,0,0|0,0,2]=4 8688 B12R1.567 CCCCNC1C(=O)CCC1=O 2230a_100000102301_100009820769 [0,1,0,1,0,0|2,0,0]=4 8689 B12R1.567 CCCCNC1C(=O)CCC1=O 7a_106832991798_100009820769 [0,1,0,1,0,0|2,0,0]=4 8690 B12R1.567 CCCCOC1C(=O)CCC1=O 7a_100000210227_100009820769 [0,1,0,1,0,0|2,0,0]=4 8691 B12R1.567 CCCCOC1C(=O)COC1=O 34a_100000210227_100000032967 [0,1,0,1,0,0|1,0,0]=3 8692 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100000210211_100009820769 [0,1,0,1,0,0|2,0,0]=4 8693 B12R1.567 CCCCSC1C(=O)CCC1=O 62a_100009820769_100000210210 [0,1,0,1,0,0|2,0,0]=4 8694 B12R1.567 CCCCSC1C(=O)COC1=O 62a_100000210211_100000032967 [0,1,0,1,0,0|1,0,0]=3 8695 B12R1.567 CCOCSC1C(=O)COC1=O 62a_100000739092_100000032967 [0,1,0,1,0,0|2,0,0]=4 8696 B12R1.567 COCCOC1C(=O)COC1=O 34a_100000210237_100000032967 [0,1,0,1,0,0|2,0,0]=4 8697 B12R1.567 COCCSC1C(=O)COC1=O 62a_100000233755_100000032967 [0,1,0,1,0,0|2,0,0]=4 8698 B12R1.567 CSCCOC1C(=O)COC1=O 34a_100000230434_100000032967 [0,1,0,1,0,0|2,0,0]=4 8699 B12R1.567 CSCCSC1C(=O)COC1=O 62a_100000212216_100000032967 [0,1,0,1,0,0|2,0,0]=4 8700 B12R1.567 NCCCOC1C(=O)COC1=O 34a_100000182051_100000032967 [0,1,0,1,0,0|2,0,0]=4 8701 B12R1.567 O=C1COC(=O)C1NCCCF 34a_100015189416_100000032967 [0,1,0,1,0,0|2,0,0]=4 8702 B12R1.567 O=C1COC(=O)C1OCCCBr 34a_100011217188_100000032967 [0,1,0,1,0,0|2,0,0]=4 8703 B12R1.567 O=C1COC(=O)C1OCCCCl 34a_100000230001_100000032967 [0,1,0,1,0,0|2,0,0]=4 8704 B12R1.567 O=C1COC(=O)C1OCCCF 34a_100000759539_100000032967 [0,1,0,1,0,0|2,0,0]=4 8705 B12R1.567 O=C1COC(=O)C1SCCCF 62a_100011934791_100000032967 [0,1,0,1,0,0|2,0,0]=4 8706 B12R1.567 O=C1COC(=O)C1SCCCO 62a_100011215043_100000032967 [0,1,0,1,0,0|2,0,0]=4 8707 B12R1.1785 C=CCOC1(CCCCCC1)C 34a_100000708895_100015514636 [0,1,0,1,0,0|1,0,1]=4 8708 B12R1.1785 C=CCOC1(CCCCCC1)C 7a_100000708895_100015514636 [0,1,0,1,0,0|1,0,1]=4 8709 B12R1.1785 C=CCOC1(CCCNCC1)C 34a_100000723723_100015514636 [0,1,0,1,0,0|1,0,1]=4 8710 B12R1.28 C/C=C/COC1CCCC(C1)C 34a_100000211399_100102629194 [0,1,0,1,0,0|1,0,1]=4 8711 B12R1.28 C=CCCOC1CCCC(C1)C 34a_100000211399_100000754431 [0,1,0,1,0,0|1,0,1]=4 8712 B12R1.28 CC=CCOC1CCCC(C1)C 34a_100000211399_100000070051 [0,1,0,1,0,0|1,0,1]=4 8713 B12R1.35 C#CCOCC(=O)C1CCCC1 1458a_100011251226_100000179811 [0,1,0,1,0,0|0,0,2]=4 8714 B12R1.35 C/C=C/C=CC(=O)C1CCCC1 1458a_100000185730_100000179811 [0,1,0,1,0,0|1,0,1]=4 8715 B12R1.35 C/C=C/COC(C)C1CCCC1 34a_100011216366_100102629194 [0,1,0,1,0,0|1,0,1]=4 8716 B12R1.35 C/C=C/COC(C)C1CCCC1 7a_100011216366_100102629194 [0,1,0,1,0,0|1,0,1]=4 8717 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [0,1,0,1,0,0|1,0,0]=3 8718 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [0,1,0,1,0,0|1,0,0]=3 8719 B12R1.35 C=CCCCC(=O)C1CCCS1 1458a_100012002731_100000757094 [0,1,0,1,0,0|2,0,0]=4 8720 B12R1.35 C=CCCCC(=O)C1CCOC1 1458a_100000766728_100000690089 [0,1,0,1,0,0|2,0,0]=4 8721 B12R1.35 C=CCCCC(=O)C1CCOC1 1458a_100011219752_100000757094 [0,1,0,1,0,0|2,0,0]=4 8722 B12R1.35 C=CCCCC(=O)N1CCCC1 240690a_100000188435_100000766728 [0,1,0,1,0,0|2,0,0]=4 8723 B12R1.35 C=CCCCC(=O)N1CCCC1 527a_100000188435_100000766728 [0,1,0,1,0,0|2,0,0]=4 8724 B12R1.35 C=CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757094 [0,1,0,1,0,0|2,0,0]=4 8725 B12R1.35 C=CCCNC(=O)C1CCCC1 11a_100015191253_100000210718 [0,1,0,1,0,0|1,0,0]=3 8726 B12R1.35 C=CCCNC(=O)C1CCCC1 1626a_100015191253_100000210718 [0,1,0,1,0,0|1,0,0]=3 8727 B12R1.35 C=CCCNC(=O)C1CCCC1 240690a_100015191253_100000210718 [0,1,0,1,0,0|1,0,0]=3 8728 B12R1.35 C=CCCNC(=O)C1CCCC1 527a_100015191253_100000210718 [0,1,0,1,0,0|1,0,0]=3 8729 B12R1.35 C=CCCNC(=O)C1CCCS1 11a_100015191253_100012002731 [0,1,0,1,0,0|2,0,0]=4 8730 B12R1.35 C=CCCNC(=O)C1CCCS1 1626a_100015191253_100012002731 [0,1,0,1,0,0|2,0,0]=4 8731 B12R1.35 C=CCCNC(=O)C1CCCS1 240690a_100015191253_100012002731 [0,1,0,1,0,0|2,0,0]=4 8732 B12R1.35 C=CCCNC(=O)C1CCCS1 527a_100015191253_100012002731 [0,1,0,1,0,0|2,0,0]=4 8733 B12R1.35 C=CCCNC(=O)C1CCOC1 11a_100015191253_100011219752 [0,1,0,1,0,0|2,0,0]=4 8734 B12R1.35 C=CCCNC(=O)C1CCOC1 1626a_100015191253_100011219752 [0,1,0,1,0,0|2,0,0]=4 8735 B12R1.35 C=CCCNC(=O)C1CCOC1 240690a_100015191253_100011219752 [0,1,0,1,0,0|2,0,0]=4 8736 B12R1.35 C=CCCNC(=O)C1CCOC1 527a_100015191253_100011219752 [0,1,0,1,0,0|2,0,0]=4 8737 B12R1.35 C=CCCNC(=O)N1CCCC1 2708a_100015191253_100000188435 [0,1,0,1,0,0|2,0,0]=4 8738 B12R1.35 C=CCCNC(=O)N1CCCC1 273464a_100015191253_100000188435 [0,1,0,1,0,0|2,0,0]=4 8739 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 11a_100015191253_100000686382 [0,1,0,1,0,0|2,0,0]=4 8740 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 1626a_100015191253_100000686382 [0,1,0,1,0,0|2,0,0]=4 8741 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 240690a_100015191253_100000686382 [0,1,0,1,0,0|2,0,0]=4 8742 B12R1.35 C=CCCNC(=O)[C@@H]1CCCO1 527a_100015191253_100000686382 [0,1,0,1,0,0|2,0,0]=4 8743 B12R1.35 C=CCCOC(C)C1CCCC1 34a_100011216366_100000754431 [0,1,0,1,0,0|1,0,1]=4 8744 B12R1.35 C=CCCOC(C)C1CCCC1 7a_100011216366_100000754431 [0,1,0,1,0,0|1,0,1]=4 8745 B12R1.35 C=CCNCC(=O)N1CCCC1 2230a_100000751844_100000210623 [0,1,0,1,0,0|2,0,0]=4 8746 B12R1.35 C=CCNCC(=O)N1CCCC1 2230a_100020586998_100000183516 [0,1,0,1,0,0|2,0,0]=4 8747 B12R1.35 C=CCNNC(=O)C1CCCC1 22a_100020588587_100000210718 [0,1,0,1,0,0|1,0,0]=3 8748 B12R1.35 C=CCNNC(=O)C1CCCS1 22a_100020588587_100012002731 [0,1,0,1,0,0|2,0,0]=4 8749 B12R1.35 C=CCNNC(=O)C1CCOC1 22a_100020588587_100011219752 [0,1,0,1,0,0|2,0,0]=4 8750 B12R1.35 C=CCNNC(=O)[C@@H]1CCCO1 22a_100020588587_100000686382 [0,1,0,1,0,0|2,0,0]=4 8751 B12R1.35 C=CCOCC(=O)N1CCCC1 34a_200000210373_100000183516 [0,1,0,1,0,0|1,0,0]=3 8752 B12R1.35 C=CCOCC(=O)N1CCCC1 7a_200000752455_100015514636 [0,1,0,1,0,0|1,0,0]=3 8753 B12R1.35 C=CCSCC(=O)C1CCCC1 1458a_100000230395_100000179811 [0,1,0,1,0,0|0,1,0]=3 8754 B12R1.35 C=CCSCC(=O)C1CCOC1 1458a_100000230395_100000690089 [0,1,0,1,0,0|1,1,0]=4 8755 B12R1.35 C=CCSCC(=O)N1CCCC1 240690a_100000188435_100000230395 [0,1,0,1,0,0|1,1,0]=4 8756 B12R1.35 C=CCSCC(=O)N1CCCC1 527a_100000188435_100000230395 [0,1,0,1,0,0|1,1,0]=4 8757 B12R1.35 C=CCSCC(=O)N1CCCC1 62a_100000183516_100000210623 [0,1,0,1,0,0|1,1,0]=4 8758 B12R1.35 C=CCSCC(=O)N1CCCC1 62a_100000210623_100000183516 [0,1,0,1,0,0|1,1,0]=4 8759 B12R1.35 C=COCCC(=O)C1CCCC1 1458a_100000210718_100000039644 [0,1,0,1,0,0|1,0,0]=3 8760 B12R1.35 C=COCCC(=O)C1CCCS1 1458a_100012002731_100000039644 [0,1,0,1,0,0|2,0,0]=4 8761 B12R1.35 C=COCCC(=O)C1CCOC1 1458a_100011219752_100000039644 [0,1,0,1,0,0|2,0,0]=4 8762 B12R1.35 C=COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000039644 [0,1,0,1,0,0|2,0,0]=4 8763 B12R1.35 CC=CCOC(C)C1CCCC1 34a_100011216366_100000070051 [0,1,0,1,0,0|1,0,1]=4 8764 B12R1.35 CC=CCOC(C)C1CCCC1 7a_100011216366_100000070051 [0,1,0,1,0,0|1,0,1]=4 8765 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,1,0,1,0,0|1,0,1]=4 8766 B12R1.35 CCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210326 [0,1,0,1,0,0|1,0,1]=4 8767 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,1,0,1,0,0|1,0,1]=4 8768 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [0,1,0,1,0,0|1,0,0]=3 8769 B12R1.35 CCCCCC(=O)N1CC=CC1 1626a_100015195280_100000212188 [0,1,0,1,0,0|1,0,0]=3 8770 B12R1.35 CCCCCC(=O)N1CC=CC1 240690a_100015195280_100000212188 [0,1,0,1,0,0|1,0,0]=3 8771 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,1,0,1,0,0|0,0,2]=4 8772 B12R1.35 CCCCNC(=O)C1CC=CC1 11a_100000102301_100000759439 [0,1,0,1,0,0|2,0,0]=4 8773 B12R1.35 CCCCNC(=O)C1CC=CC1 1626a_100000102301_100000759439 [0,1,0,1,0,0|2,0,0]=4 8774 B12R1.35 CCCCNC(=O)C1CC=CC1 240690a_100000102301_100000759439 [0,1,0,1,0,0|2,0,0]=4 8775 B12R1.35 CCCCNC(=O)C1CC=CC1 527a_100000102301_100000759439 [0,1,0,1,0,0|2,0,0]=4 8776 B12R1.35 CCCCNC(=O)N1CC=CC1 2708a_100000102301_100015195280 [0,1,0,1,0,0|2,0,0]=4 8777 B12R1.35 CCCCNC(=O)N1CC=CC1 273464a_100000102301_100015195280 [0,1,0,1,0,0|2,0,0]=4 8778 B12R1.35 CCCOCC(=O)C1CCCC1 1458a_100000745993_100000179811 [0,1,0,1,0,0|0,0,2]=4 8779 B12R1.35 CCCOCC(=O)N1CC=CC1 1626a_100015195280_100000745993 [0,1,0,1,0,0|2,0,0]=4 8780 B12R1.35 CCCOCC(=O)N1CC=CC1 240690a_100015195280_100000745993 [0,1,0,1,0,0|2,0,0]=4 8781 B12R1.35 CCCSCC(=O)N1CC=CC1 1626a_100015195280_100000217233 [0,1,0,1,0,0|2,0,0]=4 8782 B12R1.35 CCCSCC(=O)N1CC=CC1 240690a_100015195280_100000217233 [0,1,0,1,0,0|2,0,0]=4 8783 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000210303_100000211439 [0,1,0,1,0,0|1,0,1]=4 8784 B12R1.35 CCCSCC(=O)c1ccco1 62a_100000211439_100000210303 [0,1,0,1,0,0|1,0,1]=4 8785 B12R1.35 CCOCCC(=O)C1CC=CC1 1458a_100000759439_100011215890 [0,1,0,1,0,0|2,0,0]=4 8786 B12R1.35 CCOCCC(=O)N1CC=CC1 1626a_100015195280_100000749530 [0,1,0,1,0,0|2,0,0]=4 8787 B12R1.35 CCOCCC(=O)N1CC=CC1 240690a_100015195280_100000749530 [0,1,0,1,0,0|2,0,0]=4 8788 B12R1.35 CCSCCC(=O)C1CC=CC1 1458a_100000759439_100000757381 [0,1,0,1,0,0|2,0,0]=4 8789 B12R1.35 CCSCCC(=O)N1CC=CC1 1626a_100015195280_100000230768 [0,1,0,1,0,0|2,0,0]=4 8790 B12R1.35 CCSCCC(=O)N1CC=CC1 240690a_100015195280_100000230768 [0,1,0,1,0,0|2,0,0]=4 8791 B12R1.35 COCCCC(=O)C1CC=CC1 1458a_100000759439_100000740836 [0,1,0,1,0,0|2,0,0]=4 8792 B12R1.35 COCCCC(=O)N1CC=CC1 1626a_100015195280_100000741012 [0,1,0,1,0,0|2,0,0]=4 8793 B12R1.35 COCCCC(=O)N1CC=CC1 240690a_100015195280_100000741012 [0,1,0,1,0,0|2,0,0]=4 8794 B12R1.35 CSCCCC(=O)N1CC=CC1 1626a_100015195280_100000173376 [0,1,0,1,0,0|2,0,0]=4 8795 B12R1.35 CSCCCC(=O)N1CC=CC1 240690a_100015195280_100000173376 [0,1,0,1,0,0|2,0,0]=4 8796 B12R1.35 O=C(CCCCF)C1CC=CC1 1458a_100000759439_100000729493 [0,1,0,1,0,0|2,0,0]=4 8797 B12R1.35 O=C(CCCCO)C1CC=CC1 1458a_100000759439_100000210776 [0,1,0,1,0,0|2,0,0]=4 8798 B12R1.35 O=C(CCCCO)N1CC=CC1 1626a_100015195280_100000695505 [0,1,0,1,0,0|2,0,0]=4 8799 B12R1.35 O=C(COCCO)C1CCCC1 1458a_100000708028_100000179811 [0,1,0,1,0,0|1,0,1]=4 8800 B12R1.35 O=CCOCC(=O)N1CCCC1 7a_200000752455_200015260668 [0,1,0,1,0,0|2,0,0]=4 8801 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [0,1,0,1,0,0|1,0,0]=3 8802 B12R1.481 C=CCCNC(=O)C1CC1CC 11a_100015191253_200011661523 [0,1,0,1,0,0|1,0,0]=3 8803 B12R1.481 C=CCCNC(=O)C1CC1CC 1626a_100015191253_200011661523 [0,1,0,1,0,0|1,0,0]=3 8804 B12R1.481 C=CCCNC(=O)C1CC1CC 240690a_100015191253_200011661523 [0,1,0,1,0,0|1,0,0]=3 8805 B12R1.481 C=CCCNC(=O)C1CC1CC 527a_100015191253_200011661523 [0,1,0,1,0,0|1,0,0]=3 8806 B12R1.481 C=CCNNC(=O)C1CC1CC 22a_100020588587_200011661523 [0,1,0,1,0,0|1,0,0]=3 8807 B12R1.481 C=COCCC(=O)C1CC1CC 1458a_200011661523_100000039644 [0,1,0,1,0,0|1,0,0]=3 8808 B12R1.483 C#CCOCC(=O)CC1CCC1 1458a_100011251226_100000763275 [0,1,0,1,0,0|0,0,2]=4 8809 B12R1.483 C/C=C/C=CC(=O)CC1CCC1 1458a_100000185730_100000763275 [0,1,0,1,0,0|1,0,1]=4 8810 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [0,1,0,1,0,0|1,0,0]=3 8811 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [0,1,0,1,0,0|1,0,0]=3 8812 B12R1.483 C=CCCCC(=O)CC1CCO1 1458a_100000766728_100000103362 [0,1,0,1,0,0|2,0,0]=4 8813 B12R1.483 C=CCCCC(=O)CC1COC1 1458a_100000687760_100000757094 [0,1,0,1,0,0|2,0,0]=4 8814 B12R1.483 C=CCCCC(=O)CC1COC1 1458a_100000766728_100010264016 [0,1,0,1,0,0|2,0,0]=4 8815 B12R1.483 C=CCCCC(=O)NC1CCC1 11a_100000749019_100000766728 [0,1,0,1,0,0|2,0,0]=4 8816 B12R1.483 C=CCCCC(=O)NC1CCC1 1626a_100000749019_100000766728 [0,1,0,1,0,0|2,0,0]=4 8817 B12R1.483 C=CCCCC(=O)NC1CCC1 240690a_100000749019_100000766728 [0,1,0,1,0,0|2,0,0]=4 8818 B12R1.483 C=CCCCC(=O)NC1CCC1 527a_100000749019_100000766728 [0,1,0,1,0,0|2,0,0]=4 8819 B12R1.483 C=CCCNC(=O)CC1CCC1 11a_100015191253_100000763092 [0,1,0,1,0,0|1,0,0]=3 8820 B12R1.483 C=CCCNC(=O)CC1CCC1 1626a_100015191253_100000763092 [0,1,0,1,0,0|1,0,0]=3 8821 B12R1.483 C=CCCNC(=O)CC1CCC1 240690a_100015191253_100000763092 [0,1,0,1,0,0|1,0,0]=3 8822 B12R1.483 C=CCCNC(=O)CC1CCC1 527a_100015191253_100000763092 [0,1,0,1,0,0|1,0,0]=3 8823 B12R1.483 C=CCCNC(=O)CC1COC1 11a_100015191253_100000687760 [0,1,0,1,0,0|2,0,0]=4 8824 B12R1.483 C=CCCNC(=O)CC1COC1 1626a_100015191253_100000687760 [0,1,0,1,0,0|2,0,0]=4 8825 B12R1.483 C=CCCNC(=O)NC1CCC1 2708a_100015191253_100000749019 [0,1,0,1,0,0|2,0,0]=4 8826 B12R1.483 C=CCCNC(=O)NC1CCC1 273464a_100000749019_100015191253 [0,1,0,1,0,0|2,0,0]=4 8827 B12R1.483 C=CCCNC(=O)NC1CCC1 273464a_100015191253_100000749019 [0,1,0,1,0,0|2,0,0]=4 8828 B12R1.483 C=CCCNC(=O)NC1CCC1 512a_100000749019_100015191253 [0,1,0,1,0,0|2,0,0]=4 8829 B12R1.483 C=CCCNC(=O)NC1CCC1 512a_100015191253_100000749019 [0,1,0,1,0,0|2,0,0]=4 8830 B12R1.483 C=CCNNC(=O)CC1CCC1 22a_100020588587_100000763092 [0,1,0,1,0,0|1,0,0]=3 8831 B12R1.483 C=CCNNC(=O)CC1COC1 22a_100020588587_100000687760 [0,1,0,1,0,0|2,0,0]=4 8832 B12R1.483 C=CCNNC(=O)NC1CCC1 273464a_100000749019_100020588587 [0,1,0,1,0,0|2,0,0]=4 8833 B12R1.483 C=CCNNC(=O)NC1CCC1 512a_100000749019_100020588587 [0,1,0,1,0,0|2,0,0]=4 8834 B12R1.483 C=CCNNC(=O)NC1CCC1 512a_100020588587_100000749019 [0,1,0,1,0,0|2,0,0]=4 8835 B12R1.483 C=CCSCC(=O)CC1CCC1 1458a_100000230395_100000763275 [0,1,0,1,0,0|0,1,0]=3 8836 B12R1.483 C=CCSCC(=O)CC1CCO1 1458a_100000230395_100000103362 [0,1,0,1,0,0|1,1,0]=4 8837 B12R1.483 C=CCSCC(=O)CC1COC1 1458a_100000230395_100010264016 [0,1,0,1,0,0|1,1,0]=4 8838 B12R1.483 C=CCSCC(=O)NC1CCC1 11a_100000749019_100000230395 [0,1,0,1,0,0|1,1,0]=4 8839 B12R1.483 C=CCSCC(=O)NC1CCC1 1626a_100000749019_100000230395 [0,1,0,1,0,0|1,1,0]=4 8840 B12R1.483 C=CCSCC(=O)NC1CCC1 240690a_100000749019_100000230395 [0,1,0,1,0,0|1,1,0]=4 8841 B12R1.483 C=CCSCC(=O)NC1CCC1 527a_100000749019_100000230395 [0,1,0,1,0,0|1,1,0]=4 8842 B12R1.483 C=COCCC(=O)CC1CCC1 1458a_100000763092_100000039644 [0,1,0,1,0,0|1,0,0]=3 8843 B12R1.483 C=COCCC(=O)CC1COC1 1458a_100000687760_100000039644 [0,1,0,1,0,0|2,0,0]=4 8844 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [0,1,0,1,0,0|0,0,2]=4 8845 B12R1.483 O=C(COCCO)CC1CCC1 1458a_100000708028_100000763275 [0,1,0,1,0,0|1,0,1]=4 8846 B12R1.485 C=CCCCC(=O)N1CCC1C 11a_100000755817_100000766728 [0,1,0,1,0,0|2,0,0]=4 8847 B12R1.485 C=CCCCC(=O)N1CCC1C 240690a_100000755817_100000766728 [0,1,0,1,0,0|2,0,0]=4 8848 B12R1.485 C=CCCCC(=O)N1CCC1C 527a_100000755817_100000766728 [0,1,0,1,0,0|2,0,0]=4 8849 B12R1.485 C=CCCNC(=O)N1CCC1C 2708a_100015191253_100000755817 [0,1,0,1,0,0|2,0,0]=4 8850 B12R1.485 C=CCCNC(=O)N1CCC1C 273464a_100015191253_100000755817 [0,1,0,1,0,0|2,0,0]=4 8851 B12R1.485 C=CCSCC(=O)N1CCC1C 11a_100000755817_100000230395 [0,1,0,1,0,0|1,1,0]=4 8852 B12R1.485 C=CCSCC(=O)N1CCC1C 240690a_100000755817_100000230395 [0,1,0,1,0,0|1,1,0]=4 8853 B12R1.485 C=CCSCC(=O)N1CCC1C 527a_100000755817_100000230395 [0,1,0,1,0,0|1,1,0]=4 8854 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|1,0,1]=4 8855 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100000210887_100102629194 [0,1,0,1,0,0|1,0,1]=4 8856 B12R1.1414 C/C=C/COC1CCCCCC1 34a_100016270725_100011217769 [0,1,0,1,0,0|1,0,1]=4 8857 B12R1.1414 C/C=C/COC1CCCCCC1 7a_100000210887_100102629194 [0,1,0,1,0,0|1,0,1]=4 8858 B12R1.1414 C=CCCOC1CCCCCC1 34a_100000210887_100000754431 [0,1,0,1,0,0|1,0,1]=4 8859 B12R1.1414 C=CCCOC1CCCCCC1 34a_100011205117_100011217769 [0,1,0,1,0,0|1,0,1]=4 8860 B12R1.1414 C=CCCOC1CCCCCC1 7a_100000210887_100000754431 [0,1,0,1,0,0|1,0,1]=4 8861 B12R1.1414 C=CCOCC1CCCCCC1 34a_100000699130_100015514636 [0,1,0,1,0,0|1,0,1]=4 8862 B12R1.1414 C=CCOCC1CCCCCC1 34a_200000210373_200000696569 [0,1,0,1,0,0|1,0,1]=4 8863 B12R1.1414 C=CCOCC1CCCCCC1 7a_100000699130_100015514636 [0,1,0,1,0,0|1,0,1]=4 8864 B12R1.1414 CC=CCOC1CCCCCC1 34a_100000210887_100000070051 [0,1,0,1,0,0|1,0,1]=4 8865 B12R1.1414 CC=CCOC1CCCCCC1 7a_100000210887_100000070051 [0,1,0,1,0,0|1,0,1]=4 8866 B12R1.1631 C=CCOC1C(CCCC1C)C 34a_100011218088_100015514636 [0,1,0,1,0,0|1,0,1]=4 8867 B12R1.1631 C=CCOC1C(CCCC1C)C 7a_100011218088_100015514636 [0,1,0,1,0,0|1,0,1]=4 8868 B12R1.1997 C/C=C/COC1(CCCCC1)C 34a_100011215885_100102629194 [0,1,0,1,0,0|1,0,1]=4 8869 B12R1.1997 C/C=C/COC1(CCCCC1)C 7a_100011215885_100102629194 [0,1,0,1,0,0|1,0,1]=4 8870 B12R1.1997 C=CCCOC1(CCCCC1)C 34a_100011215885_100000754431 [0,1,0,1,0,0|1,0,1]=4 8871 B12R1.1997 C=CCCOC1(CCCCC1)C 7a_100011215885_100000754431 [0,1,0,1,0,0|1,0,1]=4 8872 B12R1.1997 C=CCOCC1(CCCCC1)C 34a_100000688186_100015514636 [0,1,0,1,0,0|1,0,1]=4 8873 B12R1.1997 C=CCOCC1(CCCCC1)C 7a_100000688186_100015514636 [0,1,0,1,0,0|1,0,1]=4 8874 B12R1.1997 C=CCOCC1(CCCCC1)F 34a_100000090305_100015514636 [0,1,0,1,0,0|1,0,1]=4 8875 B12R1.1997 C=CCOCC1(CCCCC1)F 7a_100000090305_100015514636 [0,1,0,1,0,0|1,0,1]=4 8876 B12R1.1997 C=CCOCC1(CCCCC1)N 34a_100000740034_100015514636 [0,1,0,1,0,0|1,0,1]=4 8877 B12R1.1997 CC=CCOC1(CCCCC1)C 34a_100011215885_100000070051 [0,1,0,1,0,0|1,0,1]=4 8878 B12R1.1997 CC=CCOC1(CCCCC1)C 7a_100011215885_100000070051 [0,1,0,1,0,0|1,0,1]=4 8879 B12R1.887 C=CCOC1CCCC(C1)(C)C 7a_100011995757_100015514636 [0,1,0,1,0,0|1,0,1]=4 8880 B12R1.895 CC(Br)COC1C(=O)COC1=O 34a_100012180447_100000032967 [0,1,0,1,0,0|2,0,0]=4 8881 B12R1.895 CC(C)CNC1C(=O)COC1=O 34a_100000210953_100000032967 [0,1,0,1,0,0|2,0,0]=4 8882 B12R1.895 CC(C)COC1C(=O)COC1=O 34a_100000210257_100000032967 [0,1,0,1,0,0|2,0,0]=4 8883 B12R1.895 CC(C)CSC1C(=O)COC1=O 62a_100000210624_100000032967 [0,1,0,1,0,0|2,0,0]=4 8884 B12R1.895 CC(F)COC1C(=O)COC1=O 34a_100015925927_100000032967 [0,1,0,1,0,0|2,0,0]=4 8885 B12R1.895 CC(O)CNC1C(=O)COC1=O 34a_100000210904_100000032967 [0,1,0,1,0,0|2,0,0]=4 8886 B12R1.895 CC(O)CSC1C(=O)COC1=O 62a_100011218427_100000032967 [0,1,0,1,0,0|2,0,0]=4 8887 B12R1.895 C[C@@H](Cl)COC1C(=O)COC1=O 34a_100016084084_100000032967 [0,1,0,1,0,0|2,0,0]=4 8888 B12R1.895 C[C@@H](N)COC1C(=O)COC1=O 34a_100000737577_100000032967 [0,1,0,1,0,0|2,0,0]=4 8889 B12R1.895 C[C@@H](O)CSC1C(=O)COC1=O 62a_100009817552_100000032967 [0,1,0,1,0,0|2,0,0]=4 8890 B12R1.2043 C=CCCC(=O)CC1CC1(F)F 1458a_100000138109_100000754431 [0,1,0,1,0,0|2,0,0]=4 8891 B12R1.2043 C=CCCC(=O)CC1CC1(F)F 1458a_100000749702_100009817841 [0,1,0,1,0,0|2,0,0]=4 8892 B12R1.2043 C=CCNC(=O)CC1CC1(F)F 1626a_100020586998_100000138109 [0,1,0,1,0,0|2,0,0]=4 8893 B12R1.2043 C=CCNC(=O)CC1CC1(F)F 240690a_100020586998_100000138109 [0,1,0,1,0,0|2,0,0]=4 8894 B12R1.2043 C=CCNC(=O)CC1CC1(F)F 527a_100020586998_100000138109 [0,1,0,1,0,0|2,0,0]=4 8895 B12R1.25 C=CCOC1CCCC(C1C)C 34a_100011217532_100015514636 [0,1,0,1,0,0|1,0,1]=4 8896 B12R1.25 C=CCOC1CCCC(C1C)C 7a_100011217532_100015514636 [0,1,0,1,0,0|1,0,1]=4 8897 B12R1.2279 C#CC1(CCCCC1)OCC=C 34a_100011215672_100015514636 [0,1,0,1,0,0|1,0,1]=4 8898 B12R1.2279 C#CC1(CCCCC1)OCC=C 7a_100011215672_100015514636 [0,1,0,1,0,0|1,0,1]=4 8899 B12R1.2279 C=CCOC1(CCCCC1)C=C 34a_200011934219_100015514636 [0,1,0,1,0,0|1,0,1]=4 8900 B12R1.2279 C=CCOC1(CCCCC1)C=C 7a_200011934219_100015514636 [0,1,0,1,0,0|1,0,1]=4 8901 B12R1.2279 C=CCOC1(CCCCC1)CC 34a_100011216009_100015514636 [0,1,0,1,0,0|1,0,1]=4 8902 B12R1.2279 C=CCOC1(CCCCC1)CC 7a_100011216009_100015514636 [0,1,0,1,0,0|1,0,1]=4 8903 B12R1.2279 C=CCOC1(CCCCC1)CN 34a_100000748649_100015514636 [0,1,0,1,0,0|1,0,1]=4 8904 B12R1.15 C=CC(C)CC(=O)C1CCCC1 1458a_100011934298_100000179811 [0,1,0,1,0,0|1,0,0]=3 8905 B12R1.15 C=CC(C)CC(=O)C1CCOC1 1458a_100011934298_100000690089 [0,1,0,1,0,0|2,0,0]=4 8906 B12R1.15 C=CC(C)CC(=O)N1CCCC1 240690a_100000188435_100011934298 [0,1,0,1,0,0|2,0,0]=4 8907 B12R1.15 C=CC(C)CC(=O)N1CCCC1 527a_100000188435_100011934298 [0,1,0,1,0,0|2,0,0]=4 8908 B12R1.304 C=CC(C)CC(=O)CC1CCC1 1458a_100011934298_100000763275 [0,1,0,1,0,0|1,0,0]=3 8909 B12R1.304 C=CC(C)CC(=O)CC1CCO1 1458a_100011934298_100000103362 [0,1,0,1,0,0|2,0,0]=4 8910 B12R1.304 C=CC(C)CC(=O)CC1COC1 1458a_100011934298_100010264016 [0,1,0,1,0,0|2,0,0]=4 8911 B12R1.304 C=CC(C)CC(=O)NC1CCC1 11a_100000749019_100011934298 [0,1,0,1,0,0|2,0,0]=4 8912 B12R1.304 C=CC(C)CC(=O)NC1CCC1 1626a_100000749019_100011934298 [0,1,0,1,0,0|2,0,0]=4 8913 B12R1.304 C=CC(C)CC(=O)NC1CCC1 240690a_100000749019_100011934298 [0,1,0,1,0,0|2,0,0]=4 8914 B12R1.304 C=CC(C)CC(=O)NC1CCC1 527a_100000749019_100011934298 [0,1,0,1,0,0|2,0,0]=4 8915 B12R1.305 C=CC(C)CC(=O)CCC1CC1 1458a_100011934298_100000694398 [0,1,0,1,0,0|1,0,0]=3 8916 B12R1.305 C=CC(C)CC(=O)CCC1CO1 1458a_100011934298_100000732470 [0,1,0,1,0,0|2,0,0]=4 8917 B12R1.305 C=CC(C)CC(=O)NCC1CC1 11a_100000735609_100011934298 [0,1,0,1,0,0|2,0,0]=4 8918 B12R1.305 C=CC(C)CC(=O)NCC1CC1 1626a_100000735609_100011934298 [0,1,0,1,0,0|2,0,0]=4 8919 B12R1.305 C=CC(C)CC(=O)NCC1CC1 240690a_100000735609_100011934298 [0,1,0,1,0,0|2,0,0]=4 8920 B12R1.305 C=CC(C)CC(=O)NCC1CC1 527a_100000735609_100011934298 [0,1,0,1,0,0|2,0,0]=4 8921 B12R1.306 C=CC(C)CC(=O)N1CCC1C 11a_100000755817_100011934298 [0,1,0,1,0,0|2,0,0]=4 8922 B12R1.306 C=CC(C)CC(=O)N1CCC1C 240690a_100000755817_100011934298 [0,1,0,1,0,0|2,0,0]=4 8923 B12R1.306 C=CC(C)CC(=O)N1CCC1C 527a_100000755817_100011934298 [0,1,0,1,0,0|2,0,0]=4 8924 B12R1.365 C=CC(=O)C1CCCCCC1=O 1458a_100000185746_100000243696 [0,1,0,1,0,0|1,0,1]=4 8925 B12R1.1748 C=CC(C)OC1CCCCCC1 34a_100000695699_100011217769 [0,1,0,1,0,0|1,0,1]=4 8926 B12R1.55 C=CCC(C)C(=O)C1CCCC1 1458a_100011216819_100000179811 [0,1,0,1,0,0|1,0,0]=3 8927 B12R1.55 C=CCC(C)C(=O)C1CCOC1 1458a_100011216819_100000690089 [0,1,0,1,0,0|2,0,0]=4 8928 B12R1.55 C=CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011216819 [0,1,0,1,0,0|2,0,0]=4 8929 B12R1.55 C=CCC(C)C(=O)N1CCCC1 527a_100000188435_100011216819 [0,1,0,1,0,0|2,0,0]=4 8930 B12R1.55 C=CCN(C)C(=O)C1CCCC1 11a_100000225617_100000210718 [0,1,0,1,0,0|1,0,0]=3 8931 B12R1.55 C=CCN(C)C(=O)C1CCCC1 1626a_100000225617_100000210718 [0,1,0,1,0,0|1,0,0]=3 8932 B12R1.55 C=CCN(C)C(=O)C1CCCC1 240690a_100000225617_100000210718 [0,1,0,1,0,0|1,0,0]=3 8933 B12R1.55 C=CCN(C)C(=O)C1CCCC1 527a_100000225617_100000210718 [0,1,0,1,0,0|1,0,0]=3 8934 B12R1.55 C=CCN(C)C(=O)C1CCCS1 11a_100000225617_100012002731 [0,1,0,1,0,0|2,0,0]=4 8935 B12R1.55 C=CCN(C)C(=O)C1CCCS1 1626a_100000225617_100012002731 [0,1,0,1,0,0|2,0,0]=4 8936 B12R1.55 C=CCN(C)C(=O)C1CCCS1 240690a_100000225617_100012002731 [0,1,0,1,0,0|2,0,0]=4 8937 B12R1.55 C=CCN(C)C(=O)C1CCCS1 527a_100000225617_100012002731 [0,1,0,1,0,0|2,0,0]=4 8938 B12R1.55 C=CCN(C)C(=O)C1CCOC1 11a_100000225617_100011219752 [0,1,0,1,0,0|2,0,0]=4 8939 B12R1.55 C=CCN(C)C(=O)C1CCOC1 1626a_100000225617_100011219752 [0,1,0,1,0,0|2,0,0]=4 8940 B12R1.55 C=CCN(C)C(=O)C1CCOC1 240690a_100000225617_100011219752 [0,1,0,1,0,0|2,0,0]=4 8941 B12R1.55 C=CCN(C)C(=O)C1CCOC1 527a_100000225617_100011219752 [0,1,0,1,0,0|2,0,0]=4 8942 B12R1.55 C=CCN(C)C(=O)[C@@H]1CCCO1 11a_100000225617_100000686382 [0,1,0,1,0,0|2,0,0]=4 8943 B12R1.55 C=CCN(C)C(=O)[C@@H]1CCCO1 1626a_100000225617_100000686382 [0,1,0,1,0,0|2,0,0]=4 8944 B12R1.55 C=CCN(C)C(=O)[C@@H]1CCCO1 240690a_100000225617_100000686382 [0,1,0,1,0,0|2,0,0]=4 8945 B12R1.55 C=CCN(C)C(=O)[C@@H]1CCCO1 527a_100000225617_100000686382 [0,1,0,1,0,0|2,0,0]=4 8946 B12R1.553 C=CCN(C)C(=O)C1CC1CC 11a_100000225617_200011661523 [0,1,0,1,0,0|1,0,0]=3 8947 B12R1.553 C=CCN(C)C(=O)C1CC1CC 1626a_100000225617_200011661523 [0,1,0,1,0,0|1,0,0]=3 8948 B12R1.553 C=CCN(C)C(=O)C1CC1CC 240690a_100000225617_200011661523 [0,1,0,1,0,0|1,0,0]=3 8949 B12R1.553 C=CCN(C)C(=O)C1CC1CC 527a_100000225617_200011661523 [0,1,0,1,0,0|1,0,0]=3 8950 B12R1.555 C=CCC(C)C(=O)CC1CCC1 1458a_100011216819_100000763275 [0,1,0,1,0,0|1,0,0]=3 8951 B12R1.555 C=CCC(C)C(=O)CC1CCO1 1458a_100011216819_100000103362 [0,1,0,1,0,0|2,0,0]=4 8952 B12R1.555 C=CCC(C)C(=O)CC1COC1 1458a_100011216819_100010264016 [0,1,0,1,0,0|2,0,0]=4 8953 B12R1.555 C=CCC(C)C(=O)NC1CCC1 11a_100000749019_100011216819 [0,1,0,1,0,0|2,0,0]=4 8954 B12R1.555 C=CCC(C)C(=O)NC1CCC1 1626a_100000749019_100011216819 [0,1,0,1,0,0|2,0,0]=4 8955 B12R1.555 C=CCC(C)C(=O)NC1CCC1 240690a_100000749019_100011216819 [0,1,0,1,0,0|2,0,0]=4 8956 B12R1.555 C=CCC(C)C(=O)NC1CCC1 527a_100000749019_100011216819 [0,1,0,1,0,0|2,0,0]=4 8957 B12R1.555 C=CCN(C)C(=O)CC1CCC1 11a_100000225617_100000763092 [0,1,0,1,0,0|1,0,0]=3 8958 B12R1.555 C=CCN(C)C(=O)CC1CCC1 1626a_100000225617_100000763092 [0,1,0,1,0,0|1,0,0]=3 8959 B12R1.555 C=CCN(C)C(=O)CC1CCC1 240690a_100000225617_100000763092 [0,1,0,1,0,0|1,0,0]=3 8960 B12R1.555 C=CCN(C)C(=O)CC1CCC1 527a_100000225617_100000763092 [0,1,0,1,0,0|1,0,0]=3 8961 B12R1.555 C=CCN(C)C(=O)CC1COC1 11a_100000225617_100000687760 [0,1,0,1,0,0|2,0,0]=4 8962 B12R1.555 C=CCN(C)C(=O)CC1COC1 1626a_100000225617_100000687760 [0,1,0,1,0,0|2,0,0]=4 8963 B12R1.555 C=CCN(C)C(=O)NC1CCC1 273464a_100000749019_100000225617 [0,1,0,1,0,0|2,0,0]=4 8964 B12R1.556 C=CCC(C)C(=O)CCC1CC1 1458a_100011216819_100000694398 [0,1,0,1,0,0|1,0,0]=3 8965 B12R1.556 C=CCC(C)C(=O)CCC1CO1 1458a_100011216819_100000732470 [0,1,0,1,0,0|2,0,0]=4 8966 B12R1.556 C=CCC(C)C(=O)NCC1CC1 11a_100000735609_100011216819 [0,1,0,1,0,0|2,0,0]=4 8967 B12R1.556 C=CCC(C)C(=O)NCC1CC1 1626a_100000735609_100011216819 [0,1,0,1,0,0|2,0,0]=4 8968 B12R1.556 C=CCC(C)C(=O)NCC1CC1 240690a_100000735609_100011216819 [0,1,0,1,0,0|2,0,0]=4 8969 B12R1.556 C=CCC(C)C(=O)NCC1CC1 527a_100000735609_100011216819 [0,1,0,1,0,0|2,0,0]=4 8970 B12R1.556 C=CCN(C)C(=O)CCC1CC1 11a_100000225617_100000756386 [0,1,0,1,0,0|1,0,0]=3 8971 B12R1.556 C=CCN(C)C(=O)CCC1CC1 1626a_100000225617_100000756386 [0,1,0,1,0,0|1,0,0]=3 8972 B12R1.556 C=CCN(C)C(=O)CCC1CC1 240690a_100000225617_100000756386 [0,1,0,1,0,0|1,0,0]=3 8973 B12R1.556 C=CCN(C)C(=O)CCC1CC1 527a_100000225617_100000756386 [0,1,0,1,0,0|1,0,0]=3 8974 B12R1.556 C=CCN(C)C(=O)NCC1CC1 2708a_100000735609_100000225617 [0,1,0,1,0,0|2,0,0]=4 8975 B12R1.556 C=CCN(C)C(=O)NCC1CC1 273464a_100000735609_100000225617 [0,1,0,1,0,0|2,0,0]=4 8976 B12R1.557 C=CCC(C)C(=O)N1CCC1C 11a_100000755817_100011216819 [0,1,0,1,0,0|2,0,0]=4 8977 B12R1.557 C=CCC(C)C(=O)N1CCC1C 240690a_100000755817_100011216819 [0,1,0,1,0,0|2,0,0]=4 8978 B12R1.557 C=CCC(C)C(=O)N1CCC1C 527a_100000755817_100011216819 [0,1,0,1,0,0|2,0,0]=4 8979 B12R1.99 C=CCNS(=O)(=O)C1CCCC1 270084a_100020586998_100000748936 [0,1,0,1,0,0|2,0,0]=4 8980 B12R1.99 C=CCNS(=O)(=O)C1CCCC1 274078a_100020586998_100000748936 [0,1,0,1,0,0|2,0,0]=4 8981 B12R1.99 C=CCOC(C)(C)C1CCCC1 34a_100000745555_100015514636 [0,1,0,1,0,0|1,0,1]=4 8982 B12R1.99 C=CCOC(C)(C)C1CCCC1 7a_100000745555_100015514636 [0,1,0,1,0,0|1,0,1]=4 8983 B12R2.2336 C=CCOC1CC2CCC1C2 34a_100000211339_100015514636 [0,0,0,2,0,0|1,0,1]=4 8984 B12R2.2336 C=CCOC1CC2CCC1C2 34a_200000210373_100000727232 [0,0,0,2,0,0|1,0,1]=4 8985 B12R2.2326 O=C1COC(=O)C1N2CCC2 269982a_100000754969_100000032967 [0,0,0,2,0,0|2,0,0]=4 8986 B12R2.2033 O=C1COC(=O)C1NC2CC2 34a_100000212008_100000032967 [0,0,0,2,0,0|2,0,0]=4