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#CCC 1458a_100011827653_100000731252 [0,0,0,0,0,0|1,0,3]=4 21 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,0,0,0,0,0|1,0,3]=4 22 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [0,0,0,0,0,0|2,0,2]=4 25 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,0,0,0,0,0|2,0,2]=4 27 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,0,0,0,0,0|2,0,2]=4 28 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,0,0,0,0,0|2,0,2]=4 29 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [0,0,0,0,0,0|2,0,2]=4 32 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [0,0,0,0,0,0|1,0,2]=3 33 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [0,0,0,0,0,0|1,0,2]=3 34 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [0,0,0,0,0,0|1,0,2]=3 35 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [0,0,0,0,0,0|1,0,2]=3 36 B10R0.91 C#CCCCC(=O)NCCF 11a_100000724931_100000690238 [0,0,0,0,0,0|2,0,2]=4 37 B10R0.91 C#CCCCC(=O)NCCF 1626a_100000724931_100000690238 [0,0,0,0,0,0|2,0,2]=4 38 B10R0.91 C#CCCCC(=O)NCCF 240690a_100000724931_100000690238 [0,0,0,0,0,0|2,0,2]=4 39 B10R0.91 C#CCCCC(=O)NCCF 527a_100000724931_100000690238 [0,0,0,0,0,0|2,0,2]=4 40 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,0,0,0,0,0|2,0,2]=4 41 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,0,0,0,0,0|2,0,2]=4 42 B10R0.91 C#CCCCC(=O)NNCC 22a_100000756455_100000690238 [0,0,0,0,0,0|2,0,2]=4 43 B10R0.91 C#CCCNC(=O)CCCC 11a_100000755551_100000210183 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.91 C#CCCNC(=O)CCCC 1626a_100000755551_100000210183 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.91 C#CCCNC(=O)CCCC 240690a_100000755551_100000210183 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.91 C#CCCNC(=O)CCCC 527a_100000755551_100000210183 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.91 C#CCCNC(=O)NCCC 2708a_100000755551_100020643023 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.91 C#CCCNC(=O)NCCC 2708a_100020643023_100000755551 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.91 C#CCCNC(=O)NCCC 273464a_100000755551_100020643023 [0,0,0,0,0,0|2,0,2]=4 50 B10R0.91 C#CCCNC(=O)NCCC 273464a_100020643023_100000755551 [0,0,0,0,0,0|2,0,2]=4 51 B10R0.91 C#CCCNC(=O)NCCC 512a_100000755551_100020643023 [0,0,0,0,0,0|2,0,2]=4 52 B10R0.91 C#CCCNC(=O)NCCC 512a_100020643023_100000755551 [0,0,0,0,0,0|2,0,2]=4 53 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 54 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 55 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 56 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,0,0,0,0,0|1,0,2]=3 57 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 65 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,0,0,0,0,0|2,0,2]=4 66 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 67 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 68 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 69 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [0,0,0,0,0,0|2,0,2]=4 70 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 71 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 72 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 73 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,0,0,0,0,0|2,0,2]=4 74 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [0,0,0,0,0,0|2,0,2]=4 75 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 79 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,0,0,0,0,0|2,0,2]=4 80 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 82 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 83 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [0,0,0,0,0,0|2,0,2]=4 84 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 85 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 86 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 87 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 88 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [0,0,0,0,0,0|2,0,2]=4 89 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [0,0,0,0,0,0|2,0,2]=4 90 B10R0.91 C#CCNCC(=O)NCCC 2230a_100000174927_100000038162 [0,0,0,0,0,0|2,0,2]=4 91 B10R0.91 C#CCNCC(=O)NCCC 34a_100000212058_100000183358 [0,0,0,0,0,0|2,0,2]=4 92 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,0,0,0,0,0|1,0,2]=3 93 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,0,0,0,0,0|1,0,3]=4 94 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,0,0,0,0,0|1,0,3]=4 95 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,0,0,0,0,0|1,0,3]=4 96 B10R0.91 C#CCOCC(=O)CCCC 1458a_100011251226_100000210211 [0,0,0,0,0,0|2,0,2]=4 97 B10R0.91 C#CCOCC(=O)NCCC 11a_100020643023_100011251226 [0,0,0,0,0,0|2,0,2]=4 98 B10R0.91 C#CCOCC(=O)NCCC 1626a_100020643023_100011251226 [0,0,0,0,0,0|2,0,2]=4 99 B10R0.91 C#CCOCC(=O)NCCC 34a_100000210247_100000183358 [0,0,0,0,0,0|2,0,2]=4 100 B10R0.91 C#CCOCC(=O)NCCC 527a_100020643023_100011251226 [0,0,0,0,0,0|2,0,2]=4 101 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,0,0,0,0,0|1,0,2]=3 102 B10R0.91 C#CCSCC(=O)NCCC 62a_100000038162_100000183358 [0,0,0,0,0,0|2,0,2]=4 103 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,0,0,0,0,0|1,0,2]=3 104 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,0,0,0,0,0|1,0,2]=3 105 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,0,0,0,0,0|2,0,2]=4 106 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,0,0,0,0,0|2,0,2]=4 107 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,0,0,0,0,0|2,0,2]=4 108 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,0,0,0,0,0|2,0,2]=4 109 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,0,0,0,0,0|2,0,2]=4 110 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,0,0,0,0,0|2,0,2]=4 111 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,0,0,0,0,0|2,0,2]=4 112 B10R0.91 C=C(CNCCF)OCOC 34a_100000724931_100000042856 [0,0,0,0,0,0|4,0,0]=4 113 B10R0.91 C=C(CNCCO)OCOC 34a_100016990907_100000042856 [0,0,0,0,0,0|4,0,0]=4 114 B10R0.91 C=C(COCCBr)OCOC 34a_100000211926_100000042856 [0,0,0,0,0,0|4,0,0]=4 115 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,0,0,0,0,0|3,0,0]=3 116 B10R0.91 C=C(COCCN)OCOC 34a_100000210304_100000042856 [0,0,0,0,0,0|4,0,0]=4 117 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,0,0,0,0,0|3,0,0]=3 118 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,0,0,0,0,0|3,0,0]=3 119 B10R0.91 C=C(CSCCF)OCOC 62a_100000042856_100011217306 [0,0,0,0,0,0|4,0,0]=4 120 B10R0.91 C=C(CSCCF)OCOC 62a_100011217306_100000042856 [0,0,0,0,0,0|4,0,0]=4 121 B10R0.91 C=C(CSCCO)OCOC 62a_100000042856_100000211926 [0,0,0,0,0,0|4,0,0]=4 122 B10R0.91 C=C(CSCCO)OCOC 62a_100000211926_100000042856 [0,0,0,0,0,0|4,0,0]=4 123 B10R0.91 C=C(CSCOC)OCOC 62a_100000042856_100000766300 [0,0,0,0,0,0|4,0,0]=4 124 B10R0.91 C=C(CSCOC)OCOC 62a_100000766300_100000042856 [0,0,0,0,0,0|4,0,0]=4 125 B10R0.91 C=C(CSCSC)OCOC 62a_100000042856_100011218213 [0,0,0,0,0,0|4,0,0]=4 126 B10R0.91 C=C(CSCSC)OCOC 62a_100011218213_100000042856 [0,0,0,0,0,0|4,0,0]=4 127 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,0,0,0,0,0|1,0,3]=4 128 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,0,0,0,0,0|1,0,2]=3 129 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,0,0,0,0,0|1,0,2]=3 130 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,0,0,0,0,0|2,0,2]=4 131 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,0,0,0,0,0|2,0,2]=4 132 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,0,0,0,0,0|2,0,2]=4 133 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,0,0,0,0,0|2,0,2]=4 134 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,0,0,0,0,0|2,0,2]=4 135 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,0,0,0,0,0|2,0,2]=4 136 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,0,0,0,0,0|2,0,2]=4 137 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,0,0,0,0,0|2,0,2]=4 138 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,0,0,0,0,0|2,0,2]=4 139 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,0,0,0,0,0|2,0,2]=4 140 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,0,0,0,0,0|2,0,2]=4 141 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,0,0,0,0,0|2,0,2]=4 142 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,0,0,0,0,0|2,0,2]=4 143 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,0,0,0,0,0|2,0,2]=4 144 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,0,0,0,0,0|2,0,2]=4 145 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,0,0,0,0,0|2,0,2]=4 146 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,0,0,0,0,0|1,0,3]=4 147 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,0,0,0,0,0|1,0,3]=4 148 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,0,0,0,0,0|1,0,2]=3 149 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,0,0,0,0,0|1,0,2]=3 150 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,0,0,0,0,0|2,0,2]=4 151 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,0,0,0,0,0|2,0,2]=4 152 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,0,0,0,0,0|2,0,2]=4 153 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,0,0,0,0,0|2,0,2]=4 154 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,0,0,0,0,0|2,0,2]=4 155 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,0,0,0,0,0|2,0,2]=4 156 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,0,0,0,0,0|2,0,2]=4 157 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,0,0,0,0,0|2,0,2]=4 158 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,0,0,0,0,0|1,0,2]=3 159 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,0,0,0,0,0|1,0,2]=3 160 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,0,0,0,0,0|1,0,2]=3 161 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,0,0,0,0,0|1,0,2]=3 162 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,0,0,0,0,0|2,0,2]=4 163 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,0,0,0,0,0|2,0,2]=4 164 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,0,0,0,0,0|2,0,2]=4 165 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,0,0,0,0,0|2,0,2]=4 166 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,0,0,0,0,0|2,0,2]=4 167 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,0,0,0,0,0|2,0,2]=4 168 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,0,0,0,0,0|2,0,2]=4 169 B10R0.91 C=CCCNC(=O)CCCC 11a_100015191253_100000210183 [0,0,0,0,0,0|2,0,2]=4 170 B10R0.91 C=CCCNC(=O)CCCC 1626a_100015191253_100000210183 [0,0,0,0,0,0|2,0,2]=4 171 B10R0.91 C=CCCNC(=O)CCCC 240690a_100015191253_100000210183 [0,0,0,0,0,0|2,0,2]=4 172 B10R0.91 C=CCCNC(=O)CCCC 527a_100015191253_100000210183 [0,0,0,0,0,0|2,0,2]=4 173 B10R0.91 C=CCCNC(=O)NCCC 2708a_100015191253_100020643023 [0,0,0,0,0,0|2,0,2]=4 174 B10R0.91 C=CCCNC(=O)NCCC 2708a_100020643023_100015191253 [0,0,0,0,0,0|2,0,2]=4 175 B10R0.91 C=CCCNC(=O)NCCC 273464a_100015191253_100020643023 [0,0,0,0,0,0|2,0,2]=4 176 B10R0.91 C=CCCNC(=O)NCCC 273464a_100020643023_100015191253 [0,0,0,0,0,0|2,0,2]=4 177 B10R0.91 C=CCCNC(=O)NCCC 512a_100015191253_100020643023 [0,0,0,0,0,0|2,0,2]=4 178 B10R0.91 C=CCCNC(=O)NCCC 512a_100020643023_100015191253 [0,0,0,0,0,0|2,0,2]=4 179 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,0,0,0,0,0|1,0,2]=3 180 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,0,0,0,0,0|1,0,2]=3 181 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,0,0,0,0,0|1,0,2]=3 182 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,0,0,0,0,0|2,0,2]=4 183 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,0,0,0,0,0|2,0,2]=4 184 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,0,0,0,0,0|2,0,2]=4 185 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,0,0,0,0,0|2,0,2]=4 186 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,0,0,0,0,0|2,0,2]=4 187 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,0,0,0,0,0|2,0,2]=4 188 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,0,0,0,0,0|2,0,2]=4 189 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,0,0,0,0,0|2,0,2]=4 190 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,0,0,0,0,0|2,0,2]=4 191 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,0,0,0,0,0|2,0,2]=4 192 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,0,0,0,0,0|2,0,2]=4 193 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,0,0,0,0,0|2,0,2]=4 194 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,0,0,0,0,0|2,0,2]=4 195 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,0,0,0,0,0|2,0,2]=4 196 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,0,0,0,0,0|2,0,2]=4 197 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,0,0,0,0,0|2,0,2]=4 198 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,0,0,0,0,0|2,0,2]=4 199 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,0,0,0,0,0|2,0,2]=4 200 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,0,0,0,0,0|2,0,2]=4 201 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,0,0,0,0,0|2,0,2]=4 202 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,0,0,0,0,0|2,0,2]=4 203 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,0,0,0,0,0|2,0,2]=4 204 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,0,0,0,0,0|2,0,2]=4 205 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,0,0,0,0,0|2,0,2]=4 206 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,0,0,0,0,0|2,0,2]=4 207 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,0,0,0,0,0|2,0,2]=4 208 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,0,0,0,0,0|2,0,2]=4 209 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,0,0,0,0,0|2,0,2]=4 210 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,0,0,0,0,0|2,0,2]=4 211 B10R0.91 C=CCNCC(=O)NCCC 2230a_100000174927_100000210623 [0,0,0,0,0,0|2,0,2]=4 212 B10R0.91 C=CCNCC(=O)NCCC 2230a_100020586998_100000183358 [0,0,0,0,0,0|2,0,2]=4 213 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,0,0,0,0,0|1,0,2]=3 214 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,0,0,0,0,0|2,0,2]=4 215 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,0,0,0,0,0|2,0,2]=4 216 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,0,0,0,0,0|2,0,2]=4 217 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,0,0,0,0,0|2,0,2]=4 218 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,0,0,0,0,0|1,0,2]=3 219 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,0,0,0,0,0|2,0,2]=4 220 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,0,0,0,0,0|1,0,2]=3 221 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,0,0,0,0,0|1,0,2]=3 222 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,0,0,0,0,0|2,0,2]=4 223 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,0,0,0,0,0|2,0,2]=4 224 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,0,0,0,0,0|2,0,2]=4 225 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,0,0,0,0,0|2,0,2]=4 226 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,0,0,0,0,0|2,0,2]=4 227 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,0,0,0,0,0|2,0,2]=4 228 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,0,0,0,0,0|2,0,2]=4 229 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,0,0,0,0,0|2,0,2]=4 230 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,0,0,0,0,0|1,0,3]=4 231 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,0,0,0,0,0|1,0,3]=4 232 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,0,0,0,0,0|1,0,3]=4 233 B10R0.91 C=CCOCC(=O)NCCC 34a_200000210373_100000183358 [0,0,0,0,0,0|2,0,2]=4 234 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,0,0,0,0,0|1,0,2]=3 235 B10R0.91 C=CCSCC(=O)CCCC 1458a_100000230395_100000210211 [0,0,0,0,0,0|2,0,2]=4 236 B10R0.91 C=CCSCC(=O)NCCC 11a_100020643023_100000230395 [0,0,0,0,0,0|2,0,2]=4 237 B10R0.91 C=CCSCC(=O)NCCC 1626a_100020643023_100000230395 [0,0,0,0,0,0|2,0,2]=4 238 B10R0.91 C=CCSCC(=O)NCCC 240690a_100020643023_100000230395 [0,0,0,0,0,0|2,0,2]=4 239 B10R0.91 C=CCSCC(=O)NCCC 527a_100020643023_100000230395 [0,0,0,0,0,0|2,0,2]=4 240 B10R0.91 C=CCSCC(=O)NCCC 62a_100000183358_100000210623 [0,0,0,0,0,0|2,0,2]=4 241 B10R0.91 C=CCSCC(=O)NCCC 62a_100000210623_100000183358 [0,0,0,0,0,0|2,0,2]=4 242 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,0,0,0,0,0|1,0,2]=3 243 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,0,0,0,0,0|1,0,2]=3 244 B10R0.91 C=COCCC(=O)CCCC 1458a_100000210183_100000039644 [0,0,0,0,0,0|2,0,2]=4 245 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,0,0,0,0,0|1,0,2]=3 246 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,0,0,0,0,0|2,0,2]=4 247 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,0,0,0,0,0|2,0,2]=4 248 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,0,0,0,0,0|2,0,2]=4 249 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,0,0,0,0,0|2,0,2]=4 250 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,0,0,0,0,0|2,0,2]=4 251 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,0,0,0,0,0|2,0,2]=4 252 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,0,0,0,0,0|2,0,2]=4 253 B10R0.91 CC#CCNC(=O)CCCC 11a_100000685387_100000210183 [0,0,0,0,0,0|2,0,2]=4 254 B10R0.91 CC#CCNC(=O)CCCC 1626a_100000685387_100000210183 [0,0,0,0,0,0|2,0,2]=4 255 B10R0.91 CC#CCNC(=O)CCCC 527a_100000685387_100000210183 [0,0,0,0,0,0|2,0,2]=4 256 B10R0.91 CC#CCNC(=O)NCCC 2708a_100020643023_100000685387 [0,0,0,0,0,0|2,0,2]=4 257 B10R0.91 CC#CCNC(=O)NCCC 273464a_100000685387_100020643023 [0,0,0,0,0,0|2,0,2]=4 258 B10R0.91 CC#CCNC(=O)NCCC 273464a_100020643023_100000685387 [0,0,0,0,0,0|2,0,2]=4 259 B10R0.91 CC#CCNC(=O)NCCC 512a_100000685387_100020643023 [0,0,0,0,0,0|2,0,2]=4 260 B10R0.91 CC#CCNC(=O)NCCC 512a_100020643023_100000685387 [0,0,0,0,0,0|2,0,2]=4 261 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,0,0,0,0,0|1,0,2]=3 262 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,0,0,0,0,0|2,0,2]=4 263 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,0,0,0,0,0|2,0,2]=4 264 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,0,0,0,0,0|2,0,2]=4 265 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,0,0,0,0,0|2,0,2]=4 266 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,0,0,0,0,0|1,0,2]=3 267 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,0,0,0,0,0|1,0,2]=3 268 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,0,0,0,0,0|1,0,2]=3 269 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,0,0,0,0,0|1,0,2]=3 270 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,0,0,0,0,0|2,0,2]=4 271 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,0,0,0,0,0|2,0,2]=4 272 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,0,0,0,0,0|2,0,2]=4 273 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,0,0,0,0,0|2,0,2]=4 274 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,0,0,0,0,0|2,0,2]=4 275 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,0,0,0,0,0|2,0,2]=4 276 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,0,0,0,0,0|2,0,2]=4 277 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,0,0,0,0,0|1,0,2]=3 278 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,0,0,0,0,0|2,0,2]=4 279 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,0,0,0,0,0|2,0,2]=4 280 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,0,0,0,0,0|2,0,2]=4 281 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,0,0,0,0,0|2,0,2]=4 282 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,0,0,0,0,0|1,0,2]=3 283 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,0,0,0,0,0|1,0,2]=3 284 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,0,0,0,0,0|2,0,2]=4 285 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,0,0,0,0,0|2,0,2]=4 286 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,0,0,0,0,0|2,0,2]=4 287 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,0,0,0,0,0|2,0,2]=4 288 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,0,0,0,0,0|2,0,2]=4 289 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,0,0,0,0,0|2,0,2]=4 290 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,0,0,0,0,0|2,0,2]=4 291 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,0,0,0,0,0|2,0,2]=4 292 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,0,0,0,0,0|2,0,2]=4 293 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,0,0,0,0,0|2,0,2]=4 294 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,0,0,0,0,0|2,0,2]=4 295 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,0,0,0,0,0|2,0,2]=4 296 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 297 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 298 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 299 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,0,0,0,0,0|2,0,2]=4 300 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,0,0,0,0,0|2,0,1]=3 301 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,0,0,0,0,0|1,0,3]=4 302 B10R0.91 CCC#CC(=O)CCCC#N 1458a_100011827653_100000211468 [0,0,0,0,0,0|2,0,2]=4 303 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,0,0,0,0,0|1,0,1]=2 304 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,0,0,0,0,0|2,0,1]=3 305 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,0,0,0,0,0|2,0,1]=3 306 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,0,0,0,0,0|2,0,1]=3 307 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,0,0,0,0,0|2,0,1]=3 308 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,0,0,0,0,0|2,0,1]=3 309 B10R0.91 CCC#CC(=O)NNCCC 22a_100000740057_100011827653 [0,0,0,0,0,0|3,0,1]=4 310 B10R0.91 CCC#CCC(=O)C#CCC 1458a_100011827653_100009813939 [0,0,0,0,0,0|1,0,3]=4 311 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,0,0,0,0,0|1,0,3]=4 312 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,0,0,0,0,0|1,0,2]=3 313 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,0,0,0,0,0|2,0,2]=4 314 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,0,0,0,0,0|2,0,2]=4 315 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,0,0,0,0,0|2,0,2]=4 316 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [0,0,0,0,0,0|2,0,2]=4 317 B10R0.91 CCC#CCC(C)OCCC 34a_200000035118_100000210303 [0,0,0,0,0,0|1,0,3]=4 318 B10R0.91 CCC#CCC(C)OCCC 7a_200000035118_100000210303 [0,0,0,0,0,0|1,0,3]=4 319 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,0,0,0,0,0|1,0,3]=4 320 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,0,0,0,0,0|2,0,2]=4 321 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,0,0,0,0,0|1,0,1]=2 322 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,0,0,0,0,0|2,0,1]=3 323 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,0,0,0,0,0|2,0,1]=3 324 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,0,0,0,0,0|2,0,1]=3 325 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,0,0,0,0,0|2,0,1]=3 326 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,0,0,0,0,0|2,0,1]=3 327 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,0,0,0,0,0|2,0,1]=3 328 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,0,0,0,0,0|2,0,1]=3 329 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,0,0,0,0,0|2,0,1]=3 330 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,0,0,0,0,0|3,0,1]=4 331 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,0,0,0,0,0|3,0,1]=4 332 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,0,0,0,0,0|3,0,1]=4 333 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,0,0,0,0,0|3,0,1]=4 334 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,0,0,0,0,0|3,0,1]=4 335 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,0,0,0,0,0|3,0,1]=4 336 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,0,0,0,0,0|3,0,1]=4 337 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,0,0,0,0,0|3,0,1]=4 338 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,0,0,0,0,0|3,0,1]=4 339 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,0,0,0,0,0|3,0,1]=4 340 B10R0.91 CCC=NNC(=O)CCCC 4a_100000189769_100000210100 [0,0,0,0,0,0|3,0,1]=4 341 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,0,0,0,0,0|1,0,2]=3 342 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [0,0,0,0,0,0|2,0,2]=4 343 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,0,0,0,0,0|2,0,2]=4 344 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,0,0,0,0,0|2,0,2]=4 345 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,0,0,0,0,0|2,0,2]=4 346 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [0,0,0,0,0,0|1,0,2]=3 347 B10R0.91 CCCC#CC(=O)NCCF 240690a_100000724931_200011218047 [0,0,0,0,0,0|2,0,2]=4 348 B10R0.91 CCCC#CC(=O)NCCO 240690a_100000210304_200011218047 [0,0,0,0,0,0|2,0,2]=4 349 B10R0.91 CCCC#CC(=O)NNCC 22a_100000756455_200011218047 [0,0,0,0,0,0|2,0,2]=4 350 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,0,0,0,0,0|1,0,2]=3 351 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,0,0,0,0,0|2,0,2]=4 352 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,0,0,0,0,0|2,0,2]=4 353 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,0,0,0,0,0|2,0,2]=4 354 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,0,0,0,0,0|2,0,2]=4 355 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,0,0,0,0,0|1,0,2]=3 356 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,0,0,0,0,0|1,0,2]=3 357 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,0,0,0,0,0|1,0,2]=3 358 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,0,0,0,0,0|2,0,2]=4 359 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,0,0,0,0,0|2,0,2]=4 360 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,0,0,0,0,0|2,0,2]=4 361 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,0,0,0,0,0|2,0,2]=4 362 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,0,0,0,0,0|2,0,2]=4 363 B10R0.91 CCCCC(=NNCCC)C 4a_100000740057_100000210087 [0,0,0,0,0,0|4,0,0]=4 364 B10R0.91 CCCCC(=O)C=CCOC 1458a_100016285016_100000210211 [0,0,0,0,0,0|2,0,2]=4 365 B10R0.91 CCCCC(=O)C=COCC 1458a_100016266692_100000210211 [0,0,0,0,0,0|2,0,2]=4 366 B10R0.91 CCCCC(=O)CC#CCO 1458a_100000210183_200000047223 [0,0,0,0,0,0|2,0,2]=4 367 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,0,0,0,0,0|2,0,1]=3 368 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,0,0,0,0,0|2,0,1]=3 369 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,0,0,0,0,0|2,0,0]=2 370 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,0,0,0,0,0|2,0,0]=2 371 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,0,0,0,0,0|2,0,0]=2 372 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,0,0,0,0,0|2,0,0]=2 373 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,0,0,0,0,0|2,0,0]=2 374 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,0,0,0,0,0|2,0,0]=2 375 B10R0.91 CCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210211 [0,0,0,0,0,0|4,0,0]=4 376 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,0,0,0,0,0|2,0,0]=2 377 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,0,0,0,0,0|2,0,0]=2 378 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,0,0,0,0,0|2,0,0]=2 379 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,0,0,0,0,0|2,0,0]=2 380 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,0,0,0,0,0|2,0,0]=2 381 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,0,0,0,0,0|3,0,0]=3 382 B10R0.91 CCCCC(=O)CSCC#N 1458a_100000150266_100000210211 [0,0,0,0,0,0|3,0,1]=4 383 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,0,0,0,0,0|2,0,0]=2 384 B10R0.91 CCCCC(=O)NCCC#N 11a_100000720768_100000210183 [0,0,0,0,0,0|3,0,1]=4 385 B10R0.91 CCCCC(=O)NCCC#N 1626a_100000720768_100000210183 [0,0,0,0,0,0|3,0,1]=4 386 B10R0.91 CCCCC(=O)NCCC#N 240690a_100000720768_100000210183 [0,0,0,0,0,0|3,0,1]=4 387 B10R0.91 CCCCC(=O)NCCC#N 527a_100000720768_100000210183 [0,0,0,0,0,0|3,0,1]=4 388 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,0,0,0,0,0|3,0,0]=3 389 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,0,0,0,0,0|3,0,0]=3 390 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,0,0,0,0,0|3,0,0]=3 391 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,0,0,0,0,0|3,0,0]=3 392 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,0,0,0,0,0|3,0,0]=3 393 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,0,0,0,0,0|3,0,0]=3 394 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,0,0,0,0,0|3,0,0]=3 395 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,0,0,0,0,0|3,0,0]=3 396 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,0,0,0,0,0|3,0,0]=3 397 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,0,0,0,0,0|3,0,0]=3 398 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,0,0,0,0,0|3,0,0]=3 399 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,0,0,0,0,0|3,0,0]=3 400 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,0,0,0,0,0|3,0,0]=3 401 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,0,0,0,0,0|3,0,0]=3 402 B10R0.91 CCCCC(=O)NNCCO 22a_100000210001_100000210183 [0,0,0,0,0,0|4,0,0]=4 403 B10R0.91 CCCCC(C)COCCC 34a_100011995851_100000210303 [0,0,0,0,0,0|3,0,1]=4 404 B10R0.91 CCCCC(C)COCCC 7a_100011995851_100000210303 [0,0,0,0,0,0|3,0,1]=4 405 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,0,0,0,0,0|3,0,0]=3 406 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,0,0,0,0,0|2,0,1]=3 407 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,0,0,0,0,0|2,0,1]=3 408 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,0,0,0,0,0|2,0,1]=3 409 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,0,0,0,0,0|2,0,1]=3 410 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,0,0,0,0,0|1,0,0]=1 411 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,0,0,0,0,0|1,0,0]=1 412 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,0,0,0,0,0|2,0,0]=2 413 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,0,0,0,0,0|2,0,0]=2 414 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,0,0,0,0,0|2,0,0]=2 415 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,0,0,0,0,0|2,0,0]=2 416 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,0,0,0,0,0|2,0,0]=2 417 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,0,0,0,0,0|2,0,0]=2 418 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,0,0,0,0,0|2,0,0]=2 419 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,0,0,0,0,0|2,0,0]=2 420 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,0,0,0,0,0|2,0,0]=2 421 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,0,0,0,0,0|2,0,0]=2 422 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,0,0,0,0,0|2,0,0]=2 423 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,0,0,0,0,0|2,0,0]=2 424 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,0,0,0,0,0|3,0,0]=3 425 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,0,0,0,0,0|3,0,0]=3 426 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,0,0,0,0,0|2,0,1]=3 427 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,0,0,0,0,0|2,0,1]=3 428 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,0,0,0,0,0|1,0,0]=1 429 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,0,0,0,0,0|1,0,0]=1 430 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,0,0,0,0,0|1,0,0]=1 431 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,0,0,0,0,0|1,0,0]=1 432 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,0,0,0,0,0|2,0,0]=2 433 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,0,0,0,0,0|2,0,0]=2 434 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,0,0,0,0,0|2,0,0]=2 435 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,0,0,0,0,0|2,0,0]=2 436 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,0,0,0,0,0|2,0,0]=2 437 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,0,0,0,0,0|2,0,0]=2 438 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,0,0,0,0,0|2,0,0]=2 439 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,0,0,0,0,0|2,0,1]=3 440 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,0,0,0,0,0|2,0,1]=3 441 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,0,0,0,0,0|3,0,1]=4 442 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,0,0,0,0,0|3,0,1]=4 443 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,0,0,0,0,0|3,0,1]=4 444 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,0,0,0,0,0|3,0,1]=4 445 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,0,0,0,0,0|3,0,1]=4 446 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,0,0,0,0,0|3,0,1]=4 447 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,0,0,0,0,0|3,0,1]=4 448 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,0,0,0,0,0|3,0,1]=4 449 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,0,0,0,0,0|2,0,2]=4 450 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,0,0,0,0,0|2,0,2]=4 451 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,0,0,0,0,0|2,0,2]=4 452 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,0,0,0,0,0|2,0,1]=3 453 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,0,0,0,0,0|1,0,1]=2 454 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,0,0,0,0,0|1,0,1]=2 455 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,0,0,0,0,0|1,0,1]=2 456 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,0,0,0,0,0|2,0,1]=3 457 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,0,0,0,0,0|2,0,1]=3 458 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,0,0,0,0,0|2,0,1]=3 459 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,0,0,0,0,0|2,0,1]=3 460 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,0,0,0,0,0|2,0,1]=3 461 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,0,0,0,0,0|2,0,1]=3 462 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,0,0,0,0,0|1,1,1]=3 463 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,0,0,0,0,0|1,1,1]=3 464 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,0,0,0,0,0|2,1,1]=4 465 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,0,0,0,0,0|2,1,1]=4 466 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,0,0,0,0,0|2,1,1]=4 467 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,0,0,0,0,0|2,1,1]=4 468 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,0,0,0,0,0|2,1,1]=4 469 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,0,0,0,0,0|2,1,1]=4 470 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,0,0,0,0,0|2,1,1]=4 471 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,0,0,0,0,0|2,1,1]=4 472 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,0,0,0,0,0|3,0,0]=3 473 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,0,0,0,0,0|3,0,0]=3 474 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,0,0,0,0,0|3,0,0]=3 475 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,0,0,0,0,0|3,0,0]=3 476 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,0,0,0,0,0|4,0,0]=4 477 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,0,0,0,0,0|4,0,0]=4 478 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,0,0,0,0,0|4,0,0]=4 479 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,0,0,0,0,0|4,0,0]=4 480 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,0,0,0,0,0|4,0,0]=4 481 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,0,0,0,0,0|4,0,0]=4 482 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,0,0,0,0,0|4,0,0]=4 483 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,0,0,0,0,0|4,0,0]=4 484 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,0,0,0,0,0|4,0,0]=4 485 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,0,0,0,0,0|4,0,0]=4 486 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,0,0,0,0,0|4,0,0]=4 487 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,0,0,0,0,0|4,0,0]=4 488 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,0,0,0,0,0|4,0,0]=4 489 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,0,0,0,0,0|4,0,0]=4 490 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,0,0,0,0,0|4,0,0]=4 491 B10R0.91 CCCCN(C)CCCCF 2230a_100000207549_100000729493 [0,0,0,0,0,0|4,0,0]=4 492 B10R0.91 CCCCN(C)CCCCF 269982a_100000207549_100000729493 [0,0,0,0,0,0|4,0,0]=4 493 B10R0.91 CCCCN(C)CCCCO 2230a_100000207549_100000210776 [0,0,0,0,0,0|4,0,0]=4 494 B10R0.91 CCCCN(C)CCCCO 2230a_100000717598_100000210211 [0,0,0,0,0,0|4,0,0]=4 495 B10R0.91 CCCCN(C)CCCCO 2230a_200011216965_200000210301 [0,0,0,0,0,0|4,0,0]=4 496 B10R0.91 CCCCN(C)CCCCO 269982a_100000207549_100000210776 [0,0,0,0,0,0|4,0,0]=4 497 B10R0.91 CCCCN(C)CCCCO 269982a_100000717598_100000210211 [0,0,0,0,0,0|4,0,0]=4 498 B10R0.91 CCCCN(C)CCCCO 269982a_200011216965_200000210301 [0,0,0,0,0,0|4,0,0]=4 499 B10R0.91 CCCCN(C)CCCOC 2230a_100000207549_100000740836 [0,0,0,0,0,0|4,0,0]=4 500 B10R0.91 CCCCN(C)CCCOC 2230a_100000224831_100000210211 [0,0,0,0,0,0|4,0,0]=4 501 B10R0.91 CCCCN(C)CCCOC 269982a_100000207549_100000740836 [0,0,0,0,0,0|4,0,0]=4 502 B10R0.91 CCCCN(C)CCCOC 269982a_100000224831_100000210211 [0,0,0,0,0,0|4,0,0]=4 503 B10R0.91 CCCCN(C)CCOCC 2230a_100000207549_100011215890 [0,0,0,0,0,0|4,0,0]=4 504 B10R0.91 CCCCN(C)CCOCC 269982a_100000207549_100011215890 [0,0,0,0,0,0|4,0,0]=4 505 B10R0.91 CCCCN(C)CCSCC 2230a_100000207549_100000757381 [0,0,0,0,0,0|4,0,0]=4 506 B10R0.91 CCCCN(C)CCSCC 269982a_100000207549_100000757381 [0,0,0,0,0,0|4,0,0]=4 507 B10R0.91 CCCCN([13CH3])CCCCO 2230a_200011216965_200025704644 [0,0,0,0,0,0|4,0,0]=4 508 B10R0.91 CCCCN([13CH3])CCCCO 269982a_200011216965_200025704644 [0,0,0,0,0,0|4,0,0]=4 509 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,0,0,0,0,0|3,0,1]=4 510 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,0,0,0,0,0|3,0,1]=4 511 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 512 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 513 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 514 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,0,0,0,0,0|3,0,1]=4 515 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,0,0,0,0,0|2,0,0]=2 516 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,0,0,0,0,0|2,0,0]=2 517 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,0,0,0,0,0|2,0,0]=2 518 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,0,0,0,0,0|2,0,0]=2 519 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,0,0,0,0,0|3,0,0]=3 520 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,0,0,0,0,0|3,0,0]=3 521 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,0,0,0,0,0|3,0,0]=3 522 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,0,0,0,0,0|3,0,0]=3 523 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,0,0,0,0,0|3,0,0]=3 524 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,0,0,0,0,0|3,0,0]=3 525 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,0,0,0,0,0|3,0,0]=3 526 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,0,0,0,0,0|3,0,0]=3 527 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,0,0,0,0,0|3,0,0]=3 528 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,0,0,0,0,0|3,0,0]=3 529 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,0,0,0,0,0|3,0,0]=3 530 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,0,0,0,0,0|3,0,0]=3 531 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,0,0,0,0,0|3,0,0]=3 532 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,0,0,0,0,0|3,0,0]=3 533 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,0,0,0,0,0|3,0,0]=3 534 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,0,0,0,0,0|3,0,0]=3 535 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,0,0,0,0,0|3,0,0]=3 536 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,0,0,0,0,0|3,0,0]=3 537 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,0,0,0,0,0|3,0,0]=3 538 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,0,0,0,0,0|3,0,0]=3 539 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,0,0,0,0,0|4,0,0]=4 540 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,0,0,0,0,0|4,0,0]=4 541 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 542 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [0,0,0,0,0,0|3,0,1]=4 543 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 544 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [0,0,0,0,0,0|3,0,1]=4 545 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [0,0,0,0,0,0|3,0,1]=4 546 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,0,0,0,0,0|2,0,0]=2 547 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,0,0,0,0,0|2,0,0]=2 548 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,0,0,0,0,0|2,0,0]=2 549 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,0,0,0,0,0|2,0,0]=2 550 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,0,0,0,0,0|2,0,0]=2 551 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,0,0,0,0,0|2,0,0]=2 552 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,0,0,0,0,0|3,0,0]=3 553 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,0,0,0,0,0|3,0,0]=3 554 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,0,0,0,0,0|3,0,0]=3 555 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,0,0,0,0,0|3,0,0]=3 556 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,0,0,0,0,0|3,0,0]=3 557 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,0,0,0,0,0|3,0,0]=3 558 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,0,0,0,0,0|3,0,0]=3 559 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,0,0,0,0,0|3,0,0]=3 560 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,0,0,0,0,0|3,0,0]=3 561 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,0,0,0,0,0|3,0,0]=3 562 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,0,0,0,0,0|3,0,0]=3 563 B10R0.91 CCCCNC(C)CCCC 2230a_100000102301_200011215066 [0,0,0,0,0,0|3,0,1]=4 564 B10R0.91 CCCCNC(C)CCCC 2230a_100000126638_100000210211 [0,0,0,0,0,0|3,0,1]=4 565 B10R0.91 CCCCNC(C)CCCC 270004a_100000102301_100000210087 [0,0,0,0,0,0|3,0,1]=4 566 B10R0.91 CCCCNC(C)CCCC 7a_106832991798_200011215066 [0,0,0,0,0,0|3,0,1]=4 567 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,0,0,0,0,0|3,0,0]=3 568 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,0,0,0,0,0|3,0,0]=3 569 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,0,0,0,0,0|3,0,0]=3 570 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,0,0,0,0,0|3,0,0]=3 571 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,0,0,0,0,0|4,0,0]=4 572 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,0,0,0,0,0|4,0,0]=4 573 B10R0.91 CCCCOC(C)CCCC 34a_100000210227_200011215066 [0,0,0,0,0,0|3,0,1]=4 574 B10R0.91 CCCCOC(C)CCCC 34a_100000687866_100000210210 [0,0,0,0,0,0|3,0,1]=4 575 B10R0.91 CCCCOC(C)CCCC 7a_100000210227_200011215066 [0,0,0,0,0,0|3,0,1]=4 576 B10R0.91 CCCCOC(C)CCCC 7a_100000687866_100000210211 [0,0,0,0,0,0|3,0,1]=4 577 B10R0.91 CCCCSC(C)CCCC 62a_100000210211_200011215066 [0,0,0,0,0,0|3,0,1]=4 578 B10R0.91 CCCCSC(C)CCCC 62a_200011215066_100000210210 [0,0,0,0,0,0|3,0,1]=4 579 B10R0.91 CCCC[C@H](N)COCCC 34a_100011934283_100000210303 [0,0,0,0,0,0|3,0,1]=4 580 B10R0.91 CCCNC(=O)C=CCOC 11a_100020643023_100016285016 [0,0,0,0,0,0|2,0,2]=4 581 B10R0.91 CCCNC(=O)C=CCOC 1626a_100020643023_100016285016 [0,0,0,0,0,0|2,0,2]=4 582 B10R0.91 CCCNC(=O)C=CCOC 240690a_100020643023_100016285016 [0,0,0,0,0,0|2,0,2]=4 583 B10R0.91 CCCNC(=O)C=COCC 11a_100020643023_100016266692 [0,0,0,0,0,0|2,0,2]=4 584 B10R0.91 CCCNC(=O)C=COCC 1626a_100020643023_100016266692 [0,0,0,0,0,0|2,0,2]=4 585 B10R0.91 CCCNC(=O)C=COCC 240690a_100020643023_100016266692 [0,0,0,0,0,0|2,0,2]=4 586 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [0,0,0,0,0,0|2,0,1]=3 587 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [0,0,0,0,0,0|2,0,1]=3 588 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [0,0,0,0,0,0|2,0,1]=3 589 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [0,0,0,0,0,0|2,0,1]=3 590 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,0,0,0,0,0|2,0,0]=2 591 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,0,0,0,0,0|2,0,0]=2 592 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,0,0,0,0,0|2,0,0]=2 593 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,0,0,0,0,0|2,0,0]=2 594 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,0,0,0,0,0|2,0,0]=2 595 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,0,0,0,0,0|2,0,0]=2 596 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,0,0,0,0,0|2,0,0]=2 597 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,0,0,0,0,0|2,0,0]=2 598 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,0,0,0,0,0|2,0,0]=2 599 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,0,0,0,0,0|2,0,0]=2 600 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,0,0,0,0,0|2,0,0]=2 601 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,0,0,0,0,0|2,0,0]=2 602 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,0,0,0,0,0|2,0,0]=2 603 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,0,0,0,0,0|2,0,0]=2 604 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,0,0,0,0,0|2,0,0]=2 605 B10R0.91 CCCNC(=O)CCN=[N+]=[N-] 11a_100020643023_100000688302 [0,0,0,0,0,0|4,0,0]=4 606 B10R0.91 CCCNC(=O)CCN=[N+]=[N-] 240690a_100020643023_100000688302 [0,0,0,0,0,0|4,0,0]=4 607 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,0,0,0,0,0|2,0,0]=2 608 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,0,0,0,0,0|2,0,0]=2 609 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,0,0,0,0,0|2,0,0]=2 610 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,0,0,0,0,0|2,0,0]=2 611 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,0,0,0,0,0|2,0,0]=2 612 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,0,0,0,0,0|2,0,0]=2 613 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,0,0,0,0,0|2,0,0]=2 614 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,0,0,0,0,0|2,0,0]=2 615 B10R0.91 CCCNC(=O)CNCC#N 2230a_100000174927_100011215382 [0,0,0,0,0,0|3,0,1]=4 616 B10R0.91 CCCNC(=O)CNCC=O 2230a_100000174927_200015260668 [0,0,0,0,0,0|3,0,1]=4 617 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [0,0,0,0,0,0|3,0,0]=3 618 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [0,0,0,0,0,0|3,0,0]=3 619 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,0,0,0,0,0|3,0,0]=3 620 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,0,0,0,0,0|3,0,0]=3 621 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,0,0,0,0,0|3,0,0]=3 622 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [0,0,0,0,0,0|3,0,0]=3 623 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,0,0,0,0,0|3,0,0]=3 624 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [0,0,0,0,0,0|3,0,0]=3 625 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,0,0,0,0,0|2,0,0]=2 626 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,0,0,0,0,0|2,0,0]=2 627 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,0,0,0,0,0|2,0,0]=2 628 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,0,0,0,0,0|2,0,0]=2 629 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,0,0,0,0,0|2,0,0]=2 630 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [0,0,0,0,0,0|3,0,0]=3 631 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,0,0,0,0,0|3,0,0]=3 632 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,0,0,0,0,0|3,0,0]=3 633 B10R0.91 CCCNC(=O)CSCC#N 11a_100020643023_100000150266 [0,0,0,0,0,0|3,0,1]=4 634 B10R0.91 CCCNC(=O)CSCC#N 1626a_100020643023_100000150266 [0,0,0,0,0,0|3,0,1]=4 635 B10R0.91 CCCNC(=O)CSCC#N 240690a_100020643023_100000150266 [0,0,0,0,0,0|3,0,1]=4 636 B10R0.91 CCCNC(=O)CSCC#N 62a_100000183358_100011215382 [0,0,0,0,0,0|3,0,1]=4 637 B10R0.91 CCCNC(=O)CSCC#N 62a_100011215382_100000183358 [0,0,0,0,0,0|3,0,1]=4 638 B10R0.91 CCCNC(=O)CSCC=O 62a_100000183358_200015260668 [0,0,0,0,0,0|3,0,1]=4 639 B10R0.91 CCCNC(=O)CSCC=O 62a_200015260668_100000183358 [0,0,0,0,0,0|3,0,1]=4 640 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,0,0,0,0,0|2,0,0]=2 641 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,0,0,0,0,0|2,0,0]=2 642 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,0,0,0,0,0|2,0,0]=2 643 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,0,0,0,0,0|2,0,0]=2 644 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,0,0,0,0,0|2,0,0]=2 645 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,0,0,0,0,0|2,0,0]=2 646 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [0,0,0,0,0,0|3,0,0]=3 647 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [0,0,0,0,0,0|3,0,0]=3 648 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,0,0,0,0,0|3,0,0]=3 649 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,0,0,0,0,0|3,0,0]=3 650 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [0,0,0,0,0,0|3,0,0]=3 651 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [0,0,0,0,0,0|3,0,0]=3 652 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,0,0,0,0,0|3,0,0]=3 653 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,0,0,0,0,0|3,0,0]=3 654 B10R0.91 CCCNC(=O)NCCC#N 2708a_100000720768_100020643023 [0,0,0,0,0,0|3,0,1]=4 655 B10R0.91 CCCNC(=O)NCCC#N 2708a_100020643023_100000720768 [0,0,0,0,0,0|3,0,1]=4 656 B10R0.91 CCCNC(=O)NCCC#N 273464a_100000720768_100020643023 [0,0,0,0,0,0|3,0,1]=4 657 B10R0.91 CCCNC(=O)NCCC#N 273464a_100020643023_100000720768 [0,0,0,0,0,0|3,0,1]=4 658 B10R0.91 CCCNC(=O)NCCC#N 512a_100000720768_100020643023 [0,0,0,0,0,0|3,0,1]=4 659 B10R0.91 CCCNC(=O)NCCC#N 512a_100020643023_100000720768 [0,0,0,0,0,0|3,0,1]=4 660 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [0,0,0,0,0,0|3,0,0]=3 661 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [0,0,0,0,0,0|3,0,0]=3 662 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [0,0,0,0,0,0|3,0,0]=3 663 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [0,0,0,0,0,0|3,0,0]=3 664 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [0,0,0,0,0,0|3,0,0]=3 665 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [0,0,0,0,0,0|3,0,0]=3 666 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,0,0,0,0,0|3,0,0]=3 667 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,0,0,0,0,0|3,0,0]=3 668 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,0,0,0,0,0|3,0,0]=3 669 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,0,0,0,0,0|3,0,0]=3 670 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,0,0,0,0,0|3,0,0]=3 671 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,0,0,0,0,0|3,0,0]=3 672 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,0,0,0,0,0|3,0,0]=3 673 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,0,0,0,0,0|3,0,0]=3 674 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,0,0,0,0,0|3,0,0]=3 675 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,0,0,0,0,0|3,0,0]=3 676 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,0,0,0,0,0|3,0,0]=3 677 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,0,0,0,0,0|3,0,0]=3 678 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,0,0,0,0,0|3,0,0]=3 679 B10R0.91 CCCNC(=O)NNCCO 273464a_100020643023_100000210001 [0,0,0,0,0,0|4,0,0]=4 680 B10R0.91 CCCNC(=O)NNCCO 512a_100020643023_100000210001 [0,0,0,0,0,0|4,0,0]=4 681 B10R0.91 CCCNC(C)CCCSC 270004a_100020643023_100011399439 [0,0,0,0,0,0|3,0,1]=4 682 B10R0.91 CCCNC(C)CCOCC 270004a_100020643023_200011216536 [0,0,0,0,0,0|3,0,1]=4 683 B10R0.91 CCCNC(C)CSCCC 270004a_100020643023_100011343953 [0,0,0,0,0,0|3,0,1]=4 684 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,0,0,0,0,0|2,0,0]=2 685 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,0,0,0,0,0|3,0,0]=3 686 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,0,0,0,0,0|2,0,1]=3 687 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,0,0,0,0,0|2,0,1]=3 688 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,0,0,0,0,0|4,0,0]=4 689 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,0,0,0,0,0|4,0,0]=4 690 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,0,0,0,0,0|4,0,0]=4 691 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [0,0,0,0,0,0|4,0,0]=4 692 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [0,0,0,0,0,0|3,0,0]=3 693 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [0,0,0,0,0,0|3,0,0]=3 694 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [0,0,0,0,0,0|3,0,0]=3 695 B10R0.91 CCCNNC(=O)NCCF 273464a_100000724931_100000740057 [0,0,0,0,0,0|4,0,0]=4 696 B10R0.91 CCCNNC(=O)NCCF 512a_100000740057_100000724931 [0,0,0,0,0,0|4,0,0]=4 697 B10R0.91 CCCNNC(=O)NCCO 273464a_100000210304_100000740057 [0,0,0,0,0,0|4,0,0]=4 698 B10R0.91 CCCNNC(=O)NCCO 512a_100000740057_100000210304 [0,0,0,0,0,0|4,0,0]=4 699 B10R0.91 CCCNNC(=O)NNCC 512a_100000740057_100000756455 [0,0,0,0,0,0|4,0,0]=4 700 B10R0.91 CCCNNC(=O)NNCC 512a_100000756455_100000740057 [0,0,0,0,0,0|4,0,0]=4 701 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,0,0,0,0,0|2,0,0]=2 702 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,0,0,0,0,0|2,0,0]=2 703 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,0,0,0,0,0|2,0,0]=2 704 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,0,0,0,0,0|2,0,0]=2 705 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,0,0,0,0,0|2,0,0]=2 706 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,0,0,0,0,0|2,0,1]=3 707 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,0,0,0,0,0|2,0,1]=3 708 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,0,0,0,0,0|2,0,1]=3 709 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,0,0,0,0,0|2,0,1]=3 710 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,0,0,0,0,0|1,0,0]=1 711 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,0,0,0,0,0|1,0,0]=1 712 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,0,0,0,0,0|2,0,0]=2 713 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,0,0,0,0,0|2,0,0]=2 714 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,0,0,0,0,0|2,0,0]=2 715 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,0,0,0,0,0|2,0,0]=2 716 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,0,0,0,0,0|2,0,0]=2 717 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,0,0,0,0,0|2,0,0]=2 718 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,0,0,0,0,0|2,0,0]=2 719 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,0,0,0,0,0|2,0,0]=2 720 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,0,0,0,0,0|2,0,0]=2 721 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,0,0,0,0,0|2,0,0]=2 722 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,0,0,0,0,0|3,0,0]=3 723 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,0,0,0,0,0|2,0,1]=3 724 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,0,0,0,0,0|2,0,1]=3 725 B10R0.91 CCCOC(C)CNCCF 2230a_100015185124_100011217306 [0,0,0,0,0,0|3,0,1]=4 726 B10R0.91 CCCOC(C)CNCCF 34a_100015185124_100011217306 [0,0,0,0,0,0|3,0,1]=4 727 B10R0.91 CCCOC(C)CNCCO 2230a_100015185124_100000211926 [0,0,0,0,0,0|3,0,1]=4 728 B10R0.91 CCCOC(C)CNCCO 34a_100015185124_100000211926 [0,0,0,0,0,0|3,0,1]=4 729 B10R0.91 CCCOC(C)CNCOC 2230a_100015185124_100000766300 [0,0,0,0,0,0|3,0,1]=4 730 B10R0.91 CCCOC(C)CNCSC 2230a_100015185124_100011218213 [0,0,0,0,0,0|3,0,1]=4 731 B10R0.91 CCCOC(C)CNCSC 34a_100015185124_100011218213 [0,0,0,0,0,0|3,0,1]=4 732 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,0,0,0,0,0|3,0,1]=4 733 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,0,0,0,0,0|3,0,0]=3 734 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,0,0,0,0,0|3,0,0]=3 735 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,0,0,0,0,0|3,0,0]=3 736 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,0,0,0,0,0|3,0,0]=3 737 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,0,0,0,0,0|3,0,1]=4 738 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,0,0,0,0,0|3,0,1]=4 739 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,0,0,0,0,0|3,0,0]=3 740 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,0,0,0,0,0|3,0,0]=3 741 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,0,0,0,0,0|3,0,0]=3 742 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,0,0,0,0,0|3,0,0]=3 743 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,0,0,0,0,0|3,0,0]=3 744 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,0,0,0,0,0|3,0,0]=3 745 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,0,0,0,0,0|3,0,0]=3 746 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,0,0,0,0,0|1,0,0]=1 747 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [0,0,0,0,0,0|3,0,1]=4 748 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [0,0,0,0,0,0|3,0,1]=4 749 B10R0.91 CCCSCC(=NNCC)C 4a_100000756455_100011343953 [0,0,0,0,0,0|4,0,0]=4 750 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,0,0,0,0,0|3,0,1]=4 751 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,0,0,0,0,0|3,0,0]=3 752 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,0,0,0,0,0|3,0,0]=3 753 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,0,0,0,0,0|3,0,0]=3 754 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,0,0,0,0,0|3,0,0]=3 755 B10R0.91 CCCSCC(=O)NCC#N 1626a_100000734998_100000217233 [0,0,0,0,0,0|3,0,1]=4 756 B10R0.91 CCCSCC(=O)NCC#N 527a_100000734998_100000217233 [0,0,0,0,0,0|3,0,1]=4 757 B10R0.91 CCCSCC(=O)NCC#N 62a_100000210303_100000736037 [0,0,0,0,0,0|3,0,1]=4 758 B10R0.91 CCCSCC(=O)NCC#N 62a_100000736037_100000210303 [0,0,0,0,0,0|3,0,1]=4 759 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,0,0,0,0,0|3,0,0]=3 760 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,0,0,0,0,0|3,0,0]=3 761 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,0,0,0,0,0|3,0,0]=3 762 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,0,0,0,0,0|3,0,0]=3 763 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,0,0,0,0,0|3,0,0]=3 764 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,0,0,0,0,0|3,0,0]=3 765 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,0,0,0,0,0|3,0,0]=3 766 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,0,0,0,0,0|4,0,0]=4 767 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,0,0,0,0,0|4,0,0]=4 768 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,0,0,0,0,0|4,0,0]=4 769 B10R0.91 CCNN=C(C)CCCSC 4a_100000756455_100011399439 [0,0,0,0,0,0|4,0,0]=4 770 B10R0.91 CCNN=C(C)CCOCC 4a_100000756455_200011216536 [0,0,0,0,0,0|4,0,0]=4 771 B10R0.91 CCNNC(=O)CCCC#N 22a_100000756455_100000075515 [0,0,0,0,0,0|3,0,1]=4 772 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,0,0,0,0,0|3,0,0]=3 773 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,0,0,0,0,0|3,0,0]=3 774 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,0,0,0,0,0|3,0,0]=3 775 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,0,0,0,0,0|3,0,0]=3 776 B10R0.91 CCNNC(=O)NCCCF 273464a_100015189416_100000756455 [0,0,0,0,0,0|4,0,0]=4 777 B10R0.91 CCNNC(=O)NCCCF 512a_100000756455_100015189416 [0,0,0,0,0,0|4,0,0]=4 778 B10R0.91 CCNNC(=O)NCCCF 512a_100015189416_100000756455 [0,0,0,0,0,0|4,0,0]=4 779 B10R0.91 CCNNC(=O)NCCCO 273464a_100000182051_100000756455 [0,0,0,0,0,0|4,0,0]=4 780 B10R0.91 CCNNC(=O)NCCCO 512a_100000756455_100000182051 [0,0,0,0,0,0|4,0,0]=4 781 B10R0.91 CCNNC(=O)NCCOC 273464a_100000209980_100000756455 [0,0,0,0,0,0|4,0,0]=4 782 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,0,0,0,0,0|4,0,0]=4 783 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,0,0,0,0,0|4,0,0]=4 784 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,0,0,0,0,0|4,0,0]=4 785 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,0,0,0,0,0|3,0,1]=4 786 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,0,0,0,0,0|3,0,0]=3 787 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,0,0,0,0,0|3,0,0]=3 788 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,0,0,0,0,0|3,0,0]=3 789 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,0,0,0,0,0|3,0,0]=3 790 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,0,0,0,0,0|4,0,0]=4 791 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,0,0,0,0,0|4,0,0]=4 792 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,0,0,0,0,0|4,0,0]=4 793 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,0,0,0,0,0|4,0,0]=4 794 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,0,0,0,0,0|4,0,0]=4 795 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,0,0,0,0,0|4,0,0]=4 796 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,0,0,0,0,0|4,0,0]=4 797 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,0,0,0,0,0|4,0,0]=4 798 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,0,0,0,0,0|4,0,0]=4 799 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,0,0,0,0,0|4,0,0]=4 800 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,0,0,0,0,0|4,0,0]=4 801 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,0,0,0,0,0|4,0,0]=4 802 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,0,0,0,0,0|4,0,0]=4 803 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,0,0,0,0,0|4,0,0]=4 804 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,0,0,0,0,0|4,0,0]=4 805 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,0,0,0,0,0|3,0,1]=4 806 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,0,0,0,0,0|3,0,1]=4 807 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,0,0,0,0,0|3,0,1]=4 808 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,0,0,0,0,0|3,0,1]=4 809 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,0,0,0,0,0|3,0,0]=3 810 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,0,0,0,0,0|3,0,0]=3 811 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,0,0,0,0,0|3,0,0]=3 812 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,0,0,0,0,0|3,0,0]=3 813 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,0,0,0,0,0|3,0,0]=3 814 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,0,0,0,0,0|3,0,0]=3 815 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,0,0,0,0,0|3,0,0]=3 816 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,0,0,0,0,0|3,0,0]=3 817 B10R0.91 CCOCCC(=O)NCC#N 1626a_100000734998_100000749530 [0,0,0,0,0,0|3,0,1]=4 818 B10R0.91 CCOCCC(=O)NCC#N 527a_100000734998_100000749530 [0,0,0,0,0,0|3,0,1]=4 819 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,0,0,0,0,0|3,0,0]=3 820 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,0,0,0,0,0|3,0,0]=3 821 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,0,0,0,0,0|3,0,0]=3 822 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,0,0,0,0,0|3,0,0]=3 823 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,0,0,0,0,0|3,0,0]=3 824 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,0,0,0,0,0|3,0,0]=3 825 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [0,0,0,0,0,0|3,0,1]=4 826 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,0,0,0,0,0|3,0,0]=3 827 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,0,0,0,0,0|3,0,0]=3 828 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,0,0,0,0,0|3,0,0]=3 829 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [0,0,0,0,0,0|4,0,0]=4 830 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [0,0,0,0,0,0|4,0,0]=4 831 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [0,0,0,0,0,0|4,0,0]=4 832 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [0,0,0,0,0,0|4,0,0]=4 833 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,0,0,0,0,0|4,0,0]=4 834 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,0,0,0,0,0|4,0,0]=4 835 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,0,0,0,0,0|4,0,0]=4 836 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,0,0,0,0,0|4,0,0]=4 837 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,0,0,0,0,0|4,0,0]=4 838 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,0,0,0,0,0|4,0,0]=4 839 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,0,0,0,0,0|4,0,0]=4 840 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,0,0,0,0,0|4,0,0]=4 841 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,0,0,0,0,0|4,0,0]=4 842 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,0,0,0,0,0|4,0,0]=4 843 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,0,0,0,0,0|4,0,0]=4 844 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,0,0,0,0,0|4,0,0]=4 845 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,0,0,0,0,0|4,0,0]=4 846 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,0,0,0,0,0|3,0,1]=4 847 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,0,0,0,0,0|3,0,1]=4 848 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,0,0,0,0,0|3,0,1]=4 849 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,0,0,0,0,0|3,0,1]=4 850 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,0,0,0,0,0|3,0,0]=3 851 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,0,0,0,0,0|3,0,0]=3 852 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,0,0,0,0,0|3,0,0]=3 853 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,0,0,0,0,0|3,0,0]=3 854 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,0,0,0,0,0|3,0,0]=3 855 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,0,0,0,0,0|3,0,0]=3 856 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,0,0,0,0,0|3,0,0]=3 857 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,0,0,0,0,0|3,0,1]=4 858 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,0,0,0,0,0|3,0,1]=4 859 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,0,0,0,0,0|3,0,0]=3 860 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,0,0,0,0,0|3,0,0]=3 861 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,0,0,0,0,0|3,0,0]=3 862 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,0,0,0,0,0|3,0,0]=3 863 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,0,0,0,0,0|3,0,0]=3 864 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,0,0,0,0,0|3,0,0]=3 865 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,0,0,0,0,0|3,0,1]=4 866 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,0,0,0,0,0|3,0,1]=4 867 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,0,0,0,0,0|3,0,1]=4 868 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,0,0,0,0,0|3,0,1]=4 869 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,0,0,0,0,0|3,0,1]=4 870 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,0,0,0,0,0|3,0,0]=3 871 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,0,0,0,0,0|3,0,0]=3 872 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,0,0,0,0,0|3,0,0]=3 873 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,0,0,0,0,0|3,0,0]=3 874 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,0,0,0,0,0|4,0,0]=4 875 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,0,0,0,0,0|4,0,0]=4 876 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,0,0,0,0,0|4,0,0]=4 877 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,0,0,0,0,0|4,0,0]=4 878 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,0,0,0,0,0|4,0,0]=4 879 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,0,0,0,0,0|4,0,0]=4 880 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,0,0,0,0,0|4,0,0]=4 881 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,0,0,0,0,0|4,0,0]=4 882 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,0,0,0,0,0|4,0,0]=4 883 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,0,0,0,0,0|4,0,0]=4 884 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,0,0,0,0,0|4,0,0]=4 885 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,0,0,0,0,0|3,0,1]=4 886 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,0,0,0,0,0|3,0,1]=4 887 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,0,0,0,0,0|3,0,1]=4 888 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,0,0,0,0,0|3,0,0]=3 889 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,0,0,0,0,0|3,0,0]=3 890 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,0,0,0,0,0|3,0,0]=3 891 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,0,0,0,0,0|3,0,0]=3 892 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,0,0,0,0,0|3,0,0]=3 893 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,0,0,0,0,0|3,0,0]=3 894 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,0,0,0,0,0|3,0,1]=4 895 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,0,0,0,0,0|3,0,1]=4 896 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,0,0,0,0,0|3,0,0]=3 897 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,0,0,0,0,0|3,0,0]=3 898 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,0,0,0,0,0|3,0,0]=3 899 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,0,0,0,0,0|3,0,0]=3 900 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,0,0,0,0,0|3,0,0]=3 901 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,0,0,0,0,0|3,0,0]=3 902 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [0,0,0,0,0,0|3,0,1]=4 903 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [0,0,0,0,0,0|3,0,1]=4 904 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,0,0,0,0,0|3,0,1]=4 905 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,0,0,0,0,0|3,0,1]=4 906 B10R0.91 COCCCC(C)OCSC 34a_200011539412_100011218213 [0,0,0,0,0,0|3,0,1]=4 907 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,0,0,0,0,0|4,0,0]=4 908 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,0,0,0,0,0|4,0,0]=4 909 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,0,0,0,0,0|4,0,0]=4 910 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,0,0,0,0,0|4,0,0]=4 911 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,0,0,0,0,0|4,0,0]=4 912 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,0,0,0,0,0|4,0,0]=4 913 B10R0.91 COCCNC(=O)NCCF 273464a_100000209980_100000724931 [0,0,0,0,0,0|4,0,0]=4 914 B10R0.91 COCCNC(=O)NCCF 273464a_100000724931_100000209980 [0,0,0,0,0,0|4,0,0]=4 915 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,0,0,0,0,0|4,0,0]=4 916 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,0,0,0,0,0|4,0,0]=4 917 B10R0.91 COCNCC(=O)NCCF 2230a_100000725713_100000766300 [0,0,0,0,0,0|4,0,0]=4 918 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,0,0,0,0,0|3,0,1]=4 919 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,0,0,0,0,0|3,0,1]=4 920 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,0,0,0,0,0|3,0,0]=3 921 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,0,0,0,0,0|3,0,0]=3 922 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,0,0,0,0,0|3,0,0]=3 923 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,0,0,0,0,0|4,0,0]=4 924 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,0,0,0,0,0|4,0,0]=4 925 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,0,0,0,0,0|4,0,0]=4 926 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,0,0,0,0,0|4,0,0]=4 927 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,0,0,0,0,0|4,0,0]=4 928 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,0,0,0,0,0|4,0,0]=4 929 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,0,0,0,0,0|4,0,0]=4 930 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,0,0,0,0,0|3,0,1]=4 931 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,0,0,0,0,0|3,0,0]=3 932 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,0,0,0,0,0|3,0,0]=3 933 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,0,0,0,0,0|3,0,0]=3 934 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,0,0,0,0,0|3,0,1]=4 935 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,0,0,0,0,0|3,0,1]=4 936 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,0,0,0,0,0|3,0,0]=3 937 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,0,0,0,0,0|3,0,0]=3 938 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,0,0,0,0,0|3,0,0]=3 939 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,0,0,0,0,0|3,0,0]=3 940 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,0,0,0,0,0|3,0,0]=3 941 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,0,0,0,0,0|3,0,0]=3 942 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,0,0,0,0,0|4,0,0]=4 943 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,0,0,0,0,0|4,0,0]=4 944 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,0,0,0,0,0|4,0,0]=4 945 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,0,0,0,0,0|4,0,0]=4 946 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,0,0,0,0,0|4,0,0]=4 947 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,0,0,0,0,0|4,0,0]=4 948 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,0,0,0,0,0|4,0,0]=4 949 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,0,0,0,0,0|4,0,0]=4 950 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,0,0,0,0,0|4,0,0]=4 951 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,0,0,0,0,0|4,0,0]=4 952 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,0,0,0,0,0|4,0,0]=4 953 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,0,0,0,0,0|4,0,0]=4 954 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,0,0,0,0,0|4,0,0]=4 955 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,0,0,0,0,0|3,0,1]=4 956 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,0,0,0,0,0|3,0,1]=4 957 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,0,0,0,0,0|3,0,1]=4 958 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [0,0,0,0,0,0|3,0,1]=4 959 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,0,0,0,0,0|3,0,1]=4 960 B10R0.91 N#CCCCC(=O)NCCF 11a_100000724931_100000075515 [0,0,0,0,0,0|3,0,1]=4 961 B10R0.91 N#CCCCC(=O)NCCF 1626a_100000724931_100000075515 [0,0,0,0,0,0|3,0,1]=4 962 B10R0.91 N#CCCCC(=O)NCCF 240690a_100000724931_100000075515 [0,0,0,0,0,0|3,0,1]=4 963 B10R0.91 N#CCCCC(=O)NCCF 527a_100000724931_100000075515 [0,0,0,0,0,0|3,0,1]=4 964 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,0,0,0,0,0|3,0,1]=4 965 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,0,0,0,0,0|3,0,1]=4 966 B10R0.91 N#CCNC(=O)CCCCO 1626a_100000734998_100000695505 [0,0,0,0,0,0|3,0,1]=4 967 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,0,0,0,0,0|3,0,1]=4 968 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,0,0,0,0,0|3,0,1]=4 969 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,0,0,0,0,0|3,0,0]=3 970 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,0,0,0,0,0|3,0,0]=3 971 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,0,0,0,0,0|4,0,0]=4 972 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,0,0,0,0,0|3,0,0]=3 973 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,0,0,0,0,0|4,0,0]=4 974 B10R0.91 O=C(CNCCF)NCCF 2230a_100000725713_100011217306 [0,0,0,0,0,0|4,0,0]=4 975 B10R0.91 O=C(CNCCO)NCCF 2230a_100000725713_100000211926 [0,0,0,0,0,0|4,0,0]=4 976 B10R0.91 O=C(COCCO)NCCF 1626a_100000724931_100000708028 [0,0,0,0,0,0|4,0,0]=4 977 B10R0.91 O=C(COCCO)NCCF 240690a_100000724931_100000708028 [0,0,0,0,0,0|4,0,0]=4 978 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,0,0,0,0,0|4,0,0]=4 979 B10R0.91 O=C(NCCF)NCCCF 2708a_100015189416_100000724931 [0,0,0,0,0,0|4,0,0]=4 980 B10R0.91 O=C(NCCF)NCCCF 273464a_100000724931_100015189416 [0,0,0,0,0,0|4,0,0]=4 981 B10R0.91 O=C(NCCF)NCCCF 273464a_100015189416_100000724931 [0,0,0,0,0,0|4,0,0]=4 982 B10R0.91 O=C(NCCF)NCCCF 512a_100015189416_100000724931 [0,0,0,0,0,0|4,0,0]=4 983 B10R0.91 O=C(NCCF)NCCCO 273464a_100000182051_100000724931 [0,0,0,0,0,0|4,0,0]=4 984 B10R0.91 O=C(NCCF)NCCCO 273464a_100000724931_100000182051 [0,0,0,0,0,0|4,0,0]=4 985 B10R0.91 O=C(NCCO)NCCCF 2708a_100015189416_100000210304 [0,0,0,0,0,0|4,0,0]=4 986 B10R0.91 O=C(NCCO)NCCCF 273464a_100000210304_100015189416 [0,0,0,0,0,0|4,0,0]=4 987 B10R0.91 O=C(NCCO)NCCCF 273464a_100015189416_100000210304 [0,0,0,0,0,0|4,0,0]=4 988 B10R0.91 O=C(NCCO)NCCCF 512a_100015189416_100000210304 [0,0,0,0,0,0|4,0,0]=4 989 B10R0.91 O=C(NCCO)NCCCO 273464a_100000182051_100000210304 [0,0,0,0,0,0|4,0,0]=4 990 B10R0.91 O=C(NCCO)NCCCO 273464a_100000210304_100000182051 [0,0,0,0,0,0|4,0,0]=4 991 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [1,0,0,0,0,0|0,0,2]=3 992 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [1,0,0,0,0,0|0,0,2]=3 993 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [1,0,0,0,0,0|1,0,2]=4 994 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [1,0,0,0,0,0|1,0,2]=4 995 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [1,0,0,0,0,0|1,0,2]=4 996 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [1,0,0,0,0,0|1,0,2]=4 997 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [1,0,0,0,0,0|1,0,2]=4 998 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [1,0,0,0,0,0|1,0,2]=4 999 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [1,0,0,0,0,0|1,0,2]=4 1000 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [1,0,0,0,0,0|1,0,2]=4 1001 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [1,0,0,0,0,0|1,0,2]=4 1002 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [1,0,0,0,0,0|1,0,2]=4 1003 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [1,0,0,0,0,0|1,0,2]=4 1004 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [1,0,0,0,0,0|1,0,2]=4 1005 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 1006 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [1,0,0,0,0,0|1,0,2]=4 1007 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [1,0,0,0,0,0|0,0,2]=3 1008 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [1,0,0,0,0,0|0,0,2]=3 1009 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [1,0,0,0,0,0|1,0,2]=4 1010 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [1,0,0,0,0,0|1,0,2]=4 1011 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [1,0,0,0,0,0|1,0,2]=4 1012 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [1,0,0,0,0,0|1,0,2]=4 1013 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [1,0,0,0,0,0|1,0,2]=4 1014 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 1015 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 1016 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [1,0,0,0,0,0|1,0,2]=4 1017 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1018 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1019 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1020 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [1,0,0,0,0,0|1,0,2]=4 1021 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [1,0,0,0,0,0|1,0,2]=4 1022 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [1,0,0,0,0,0|1,0,2]=4 1023 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [1,0,0,0,0,0|1,0,2]=4 1024 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [1,0,0,0,0,0|1,0,2]=4 1025 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [1,0,0,0,0,0|1,0,2]=4 1026 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [1,0,0,0,0,0|0,0,2]=3 1027 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [1,0,0,0,0,0|0,0,2]=3 1028 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [1,0,0,0,0,0|1,0,2]=4 1029 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [1,0,0,0,0,0|1,0,2]=4 1030 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [1,0,0,0,0,0|1,0,2]=4 1031 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [1,0,0,0,0,0|1,0,2]=4 1032 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [1,0,0,0,0,0|1,0,2]=4 1033 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [1,0,0,0,0,0|1,0,2]=4 1034 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [1,0,0,0,0,0|1,0,2]=4 1035 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [1,0,0,0,0,0|1,0,2]=4 1036 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [1,0,0,0,0,0|1,0,2]=4 1037 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [1,0,0,0,0,0|1,0,2]=4 1038 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [1,0,0,0,0,0|1,0,2]=4 1039 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [1,0,0,0,0,0|1,0,2]=4 1040 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1041 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1042 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1043 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [1,0,0,0,0,0|1,0,2]=4 1044 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [1,0,0,0,0,0|0,0,2]=3 1045 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [1,0,0,0,0,0|0,0,2]=3 1046 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [1,0,0,0,0,0|1,0,2]=4 1047 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [1,0,0,0,0,0|1,0,2]=4 1048 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [1,0,0,0,0,0|1,0,2]=4 1049 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [1,0,0,0,0,0|1,0,2]=4 1050 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [1,0,0,0,0,0|1,0,2]=4 1051 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 1052 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 1053 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [1,0,0,0,0,0|1,0,2]=4 1054 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1055 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1056 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1057 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [1,0,0,0,0,0|1,0,2]=4 1058 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [1,0,0,0,0,0|1,0,2]=4 1059 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [1,0,0,0,0,0|1,0,2]=4 1060 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [1,0,0,0,0,0|1,0,2]=4 1061 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [1,0,0,0,0,0|1,0,2]=4 1062 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [1,0,0,0,0,0|1,0,2]=4 1063 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [1,0,0,0,0,0|1,0,2]=4 1064 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [1,0,0,0,0,0|1,0,2]=4 1065 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [1,0,0,0,0,0|1,0,2]=4 1066 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [1,0,0,0,0,0|1,0,2]=4 1067 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [1,0,0,0,0,0|1,0,2]=4 1068 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [1,0,0,0,0,0|1,0,2]=4 1069 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [1,0,0,0,0,0|1,0,2]=4 1070 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [1,0,0,0,0,0|0,0,2]=3 1071 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [1,0,0,0,0,0|1,0,2]=4 1072 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [1,0,0,0,0,0|1,0,2]=4 1073 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [1,0,0,0,0,0|1,0,2]=4 1074 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [1,0,0,0,0,0|1,0,2]=4 1075 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [1,0,0,0,0,0|1,0,2]=4 1076 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1077 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1078 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [1,0,0,0,0,0|1,0,2]=4 1079 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [1,0,0,0,0,0|0,0,2]=3 1080 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [1,0,0,0,0,0|1,0,2]=4 1081 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [1,0,0,0,0,0|1,0,2]=4 1082 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 1083 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 1084 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [1,0,0,0,0,0|1,0,2]=4 1085 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [1,0,0,0,0,0|0,0,2]=3 1086 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [1,0,0,0,0,0|1,0,2]=4 1087 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [1,0,0,0,0,0|1,0,2]=4 1088 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [1,0,0,0,0,0|1,0,2]=4 1089 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [1,0,0,0,0,0|0,0,2]=3 1090 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [1,0,0,0,0,0|1,0,2]=4 1091 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [1,0,0,0,0,0|1,0,2]=4 1092 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [1,0,0,0,0,0|1,0,2]=4 1093 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,0,0,0,0,0|1,0,2]=4 1094 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [1,0,0,0,0,0|1,0,2]=4 1095 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1096 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1097 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [1,0,0,0,0,0|1,0,2]=4 1098 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [1,0,0,0,0,0|0,0,2]=3 1099 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [1,0,0,0,0,0|1,0,2]=4 1100 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [1,0,0,0,0,0|1,0,2]=4 1101 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [1,0,0,0,0,0|1,0,2]=4 1102 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [1,0,0,0,0,0|2,0,1]=4 1103 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [1,0,0,0,0,0|0,0,2]=3 1104 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [1,0,0,0,0,0|1,0,2]=4 1105 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [1,0,0,0,0,0|1,0,2]=4 1106 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [1,0,0,0,0,0|1,0,2]=4 1107 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [1,0,0,0,0,0|1,0,2]=4 1108 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [1,0,0,0,0,0|1,0,2]=4 1109 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [1,0,0,0,0,0|1,0,2]=4 1110 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [1,0,0,0,0,0|1,0,1]=3 1111 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [1,0,0,0,0,0|1,0,1]=3 1112 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [1,0,0,0,0,0|1,0,0]=2 1113 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [1,0,0,0,0,0|1,0,0]=2 1114 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [1,0,0,0,0,0|1,0,0]=2 1115 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [1,0,0,0,0,0|1,0,0]=2 1116 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [1,0,0,0,0,0|1,0,0]=2 1117 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [1,0,0,0,0,0|1,0,0]=2 1118 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [1,0,0,0,0,0|3,0,0]=4 1119 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [1,0,0,0,0,0|1,0,0]=2 1120 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [1,0,0,0,0,0|1,0,0]=2 1121 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [1,0,0,0,0,0|1,0,0]=2 1122 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [1,0,0,0,0,0|1,0,0]=2 1123 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [1,0,0,0,0,0|2,0,0]=3 1124 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [1,0,0,0,0,0|2,0,0]=3 1125 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [1,0,0,0,0,0|2,0,1]=4 1126 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [1,0,0,0,0,0|2,0,1]=4 1127 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [1,0,0,0,0,0|2,0,1]=4 1128 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [1,0,0,0,0,0|2,0,1]=4 1129 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [1,0,0,0,0,0|2,0,1]=4 1130 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [1,0,0,0,0,0|2,0,0]=3 1131 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [1,0,0,0,0,0|2,0,0]=3 1132 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [1,0,0,0,0,0|2,0,0]=3 1133 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [1,0,0,0,0,0|2,0,0]=3 1134 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [1,0,0,0,0,0|2,0,0]=3 1135 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [1,0,0,0,0,0|2,0,0]=3 1136 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [1,0,0,0,0,0|2,0,0]=3 1137 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [1,0,0,0,0,0|2,0,0]=3 1138 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1139 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1140 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1141 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [1,0,0,0,0,0|2,0,1]=4 1142 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1143 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1144 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1145 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [1,0,0,0,0,0|2,0,0]=3 1146 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 1147 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [1,0,0,0,0,0|2,0,0]=3 1148 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1149 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1150 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [1,0,0,0,0,0|2,0,0]=3 1151 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1152 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1153 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1154 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [1,0,0,0,0,0|2,0,0]=3 1155 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [1,0,0,0,0,0|3,0,0]=4 1156 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [1,0,0,0,0,0|2,0,0]=3 1157 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [1,0,0,0,0,0|2,0,0]=3 1158 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [1,0,0,0,0,0|2,0,0]=3 1159 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [1,0,0,0,0,0|3,0,0]=4 1160 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 1161 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [1,0,0,0,0,0|2,0,1]=4 1162 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 1163 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [1,0,0,0,0,0|2,0,1]=4 1164 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 1165 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [1,0,0,0,0,0|2,0,1]=4 1166 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [1,0,0,0,0,0|0,0,2]=3 1167 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [1,0,0,0,0,0|1,0,2]=4 1168 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [1,0,0,0,0,0|1,0,2]=4 1169 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 1170 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [1,0,0,0,0,0|1,0,2]=4 1171 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [1,0,0,0,0,0|1,0,2]=4 1172 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [1,0,0,0,0,0|1,0,2]=4 1173 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [1,0,0,0,0,0|1,0,2]=4 1174 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [1,0,0,0,0,0|1,0,1]=3 1175 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [1,0,0,0,0,0|1,0,1]=3 1176 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [1,0,0,0,0,0|0,0,0]=1 1177 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [1,0,0,0,0,0|0,0,0]=1 1178 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [1,0,0,0,0,0|1,0,0]=2 1179 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [1,0,0,0,0,0|1,0,0]=2 1180 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [1,0,0,0,0,0|1,0,0]=2 1181 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [1,0,0,0,0,0|1,0,0]=2 1182 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [1,0,0,0,0,0|1,0,0]=2 1183 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [1,0,0,0,0,0|1,0,0]=2 1184 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [1,0,0,0,0,0|1,0,0]=2 1185 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [1,0,0,0,0,0|1,0,0]=2 1186 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [1,0,0,0,0,0|1,0,0]=2 1187 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [1,0,0,0,0,0|1,0,0]=2 1188 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [1,0,0,0,0,0|1,0,0]=2 1189 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [1,0,0,0,0,0|1,0,0]=2 1190 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [1,0,0,0,0,0|1,0,0]=2 1191 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1192 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1193 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [1,0,0,0,0,0|1,0,0]=2 1194 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [1,0,0,0,0,0|2,0,0]=3 1195 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [1,0,0,0,0,0|2,0,1]=4 1196 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [1,0,0,0,0,0|2,0,1]=4 1197 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [1,0,0,0,0,0|2,0,1]=4 1198 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 1199 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [1,0,0,0,0,0|1,0,1]=3 1200 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [1,0,0,0,0,0|1,0,1]=3 1201 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 1202 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [1,0,0,0,0,0|2,0,1]=4 1203 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [1,0,0,0,0,0|1,1,1]=4 1204 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [1,0,0,0,0,0|1,1,1]=4 1205 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1206 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [1,0,0,0,0,0|2,0,0]=3 1207 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1208 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [1,0,0,0,0,0|2,0,0]=3 1209 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [1,0,0,0,0,0|2,0,0]=3 1210 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [1,0,0,0,0,0|2,0,0]=3 1211 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [1,0,0,0,0,0|3,0,0]=4 1212 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [1,0,0,0,0,0|3,0,0]=4 1213 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [1,0,0,0,0,0|3,0,0]=4 1214 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [1,0,0,0,0,0|3,0,0]=4 1215 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 1216 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [1,0,0,0,0,0|3,0,0]=4 1217 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [1,0,0,0,0,0|3,0,0]=4 1218 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 1219 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1220 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [1,0,0,0,0,0|3,0,0]=4 1221 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1222 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [1,0,0,0,0,0|3,0,0]=4 1223 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1224 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [1,0,0,0,0,0|2,0,0]=3 1225 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 1226 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 1227 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1228 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [1,0,0,0,0,0|2,0,1]=4 1229 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1230 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1231 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1232 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [1,0,0,0,0,0|1,0,0]=2 1233 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [1,0,0,0,0,0|2,0,0]=3 1234 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1235 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [1,0,0,0,0,0|2,0,0]=3 1236 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [1,0,0,0,0,0|2,0,0]=3 1237 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1238 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1239 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1240 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [1,0,0,0,0,0|2,0,0]=3 1241 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [1,0,0,0,0,0|2,0,0]=3 1242 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1243 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1244 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1245 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [1,0,0,0,0,0|2,0,0]=3 1246 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [1,0,0,0,0,0|2,0,0]=3 1247 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [1,0,0,0,0,0|2,0,0]=3 1248 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [1,0,0,0,0,0|2,0,0]=3 1249 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [1,0,0,0,0,0|2,0,0]=3 1250 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1251 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1252 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1253 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1254 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [1,0,0,0,0,0|2,0,0]=3 1255 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [1,0,0,0,0,0|2,0,0]=3 1256 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1257 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [1,0,0,0,0,0|3,0,0]=4 1258 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [1,0,0,0,0,0|3,0,0]=4 1259 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [1,0,0,0,0,0|2,0,1]=4 1260 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [1,0,0,0,0,0|2,0,1]=4 1261 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [1,0,0,0,0,0|2,0,1]=4 1262 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [1,0,0,0,0,0|2,0,1]=4 1263 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [1,0,0,0,0,0|2,0,0]=3 1264 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [1,0,0,0,0,0|2,0,0]=3 1265 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [1,0,0,0,0,0|2,0,0]=3 1266 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [1,0,0,0,0,0|2,0,0]=3 1267 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [1,0,0,0,0,0|2,0,0]=3 1268 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [1,0,0,0,0,0|2,0,0]=3 1269 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [1,0,0,0,0,0|2,0,0]=3 1270 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [1,0,0,0,0,0|2,0,0]=3 1271 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [1,0,0,0,0,0|2,0,1]=4 1272 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [1,0,0,0,0,0|2,0,1]=4 1273 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [1,0,0,0,0,0|2,0,1]=4 1274 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [1,0,0,0,0,0|2,0,1]=4 1275 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [1,0,0,0,0,0|2,0,1]=4 1276 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [1,0,0,0,0,0|2,0,1]=4 1277 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1278 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [1,0,0,0,0,0|3,0,0]=4 1279 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1280 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1281 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [1,0,0,0,0,0|3,0,0]=4 1282 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [1,0,0,0,0,0|3,0,0]=4 1283 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1284 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1285 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [1,0,0,0,0,0|3,0,0]=4 1286 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [1,0,0,0,0,0|3,0,0]=4 1287 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1288 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [1,0,0,0,0,0|3,0,0]=4 1289 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1290 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [1,0,0,0,0,0|3,0,0]=4 1291 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [1,0,0,0,0,0|2,0,0]=3 1292 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [1,0,0,0,0,0|2,0,1]=4 1293 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [1,0,0,0,0,0|3,0,0]=4 1294 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [1,0,0,0,0,0|2,0,0]=3 1295 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [1,0,0,0,0,0|3,0,0]=4 1296 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [1,0,0,0,0,0|3,0,0]=4 1297 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [1,0,0,0,0,0|3,0,0]=4 1298 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1299 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [1,0,0,0,0,0|3,0,0]=4 1300 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [1,0,0,0,0,0|3,0,0]=4 1301 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [1,0,0,0,0,0|2,0,1]=4 1302 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [1,0,0,0,0,0|1,0,0]=2 1303 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [1,0,0,0,0,0|2,0,0]=3 1304 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [1,0,0,0,0,0|2,0,0]=3 1305 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1306 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1307 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [1,0,0,0,0,0|2,0,0]=3 1308 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [1,0,0,0,0,0|2,0,0]=3 1309 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [1,0,0,0,0,0|3,0,0]=4 1310 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [1,0,0,0,0,0|3,0,0]=4 1311 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [1,0,0,0,0,0|1,0,0]=2 1312 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [1,0,0,0,0,0|2,0,1]=4 1313 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1314 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1315 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [1,0,0,0,0,0|2,0,1]=4 1316 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [1,0,0,0,0,0|2,0,1]=4 1317 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [1,0,0,0,0,0|1,0,0]=2 1318 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [1,0,0,0,0,0|1,0,0]=2 1319 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [1,0,0,0,0,0|1,0,0]=2 1320 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [1,0,0,0,0,0|2,0,0]=3 1321 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [1,0,0,0,0,0|2,0,0]=3 1322 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1323 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1324 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [1,0,0,0,0,0|2,0,0]=3 1325 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [1,0,0,0,0,0|2,0,0]=3 1326 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [1,0,0,0,0,0|2,0,0]=3 1327 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [1,0,0,0,0,0|3,0,0]=4 1328 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [1,0,0,0,0,0|3,0,0]=4 1329 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [1,0,0,0,0,0|3,0,0]=4 1330 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [1,0,0,0,0,0|1,0,0]=2 1331 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [1,0,0,0,0,0|1,0,0]=2 1332 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [1,0,0,0,0,0|2,0,1]=4 1333 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [1,0,0,0,0,0|2,0,1]=4 1334 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [1,0,0,0,0,0|2,0,1]=4 1335 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1336 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1337 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [1,0,0,0,0,0|2,0,1]=4 1338 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1339 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1340 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [1,0,0,0,0,0|2,0,0]=3 1341 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1342 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1343 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [1,0,0,0,0,0|2,0,0]=3 1344 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [1,0,0,0,0,0|3,0,0]=4 1345 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1346 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1347 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [1,0,0,0,0,0|2,0,0]=3 1348 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1349 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1350 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [1,0,0,0,0,0|2,0,0]=3 1351 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [1,0,0,0,0,0|2,0,0]=3 1352 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [1,0,0,0,0,0|2,0,0]=3 1353 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [1,0,0,0,0,0|3,0,0]=4 1354 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [1,0,0,0,0,0|3,0,0]=4 1355 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [1,0,0,0,0,0|3,0,0]=4 1356 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [1,0,0,0,0,0|3,0,0]=4 1357 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [1,0,0,0,0,0|3,0,0]=4 1358 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [1,0,0,0,0,0|3,0,0]=4 1359 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [1,0,0,0,0,0|3,0,0]=4 1360 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [1,0,0,0,0,0|3,0,0]=4 1361 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [1,0,0,0,0,0|3,0,0]=4 1362 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1363 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [1,0,0,0,0,0|3,0,0]=4 1364 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [1,0,0,0,0,0|3,0,0]=4 1365 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [1,0,0,0,0,0|3,0,0]=4 1366 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [1,0,0,0,0,0|3,0,0]=4 1367 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [1,0,0,0,0,0|3,0,0]=4 1368 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [1,0,0,0,0,0|3,0,0]=4 1369 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [1,0,0,0,0,0|3,0,0]=4 1370 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [1,0,0,0,0,0|3,0,0]=4 1371 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [1,0,0,0,0,0|3,0,0]=4 1372 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [1,0,0,0,0,0|3,0,0]=4 1373 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1374 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1375 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1376 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1377 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [1,0,0,0,0,0|3,0,0]=4 1378 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [1,0,0,0,0,0|3,0,0]=4 1379 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1380 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [1,0,0,0,0,0|3,0,0]=4 1381 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1382 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [1,0,0,0,0,0|3,0,0]=4 1383 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1384 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [1,0,0,0,0,0|3,0,0]=4 1385 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [1,0,0,0,0,0|3,0,0]=4 1386 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1387 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1388 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1389 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1390 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [1,0,0,0,0,0|3,0,0]=4 1391 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [1,0,0,0,0,0|3,0,0]=4 1392 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [1,0,0,0,0,0|2,0,0]=3 1393 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [1,0,0,0,0,0|2,0,0]=3 1394 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [1,0,0,0,0,0|1,0,0]=2 1395 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [1,0,0,0,0,0|2,0,1]=4 1396 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 1397 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [1,0,0,0,0,0|1,0,2]=4 1398 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [1,0,0,0,0,0|1,0,2]=4 1399 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [1,0,0,0,0,0|1,0,2]=4 1400 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [1,0,0,0,0,0|1,0,2]=4 1401 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [1,0,0,0,0,0|1,0,2]=4 1402 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [1,0,0,0,0,0|1,0,2]=4 1403 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [1,0,0,0,0,0|1,0,2]=4 1404 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [1,0,0,0,0,0|1,0,0]=2 1405 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [1,0,0,0,0,0|1,0,0]=2 1406 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [1,0,0,0,0,0|1,0,0]=2 1407 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [1,0,0,0,0,0|1,0,0]=2 1408 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [1,0,0,0,0,0|1,0,0]=2 1409 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [1,0,0,0,0,0|1,0,0]=2 1410 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [1,0,0,0,0,0|1,0,0]=2 1411 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [1,0,0,0,0,0|1,0,0]=2 1412 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [1,0,0,0,0,0|1,0,0]=2 1413 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [1,0,0,0,0,0|1,0,0]=2 1414 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [1,0,0,0,0,0|1,0,0]=2 1415 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [1,0,0,0,0,0|1,0,0]=2 1416 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [1,0,0,0,0,0|2,0,0]=3 1417 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [1,0,0,0,0,0|2,0,0]=3 1418 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [1,0,0,0,0,0|2,0,0]=3 1419 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [1,0,0,0,0,0|2,0,0]=3 1420 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [1,0,0,0,0,0|2,0,0]=3 1421 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 1422 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [1,0,0,0,0,0|2,0,0]=3 1423 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [1,0,0,0,0,0|2,0,1]=4 1424 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [1,0,0,0,0,0|2,0,1]=4 1425 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [1,0,0,0,0,0|2,0,1]=4 1426 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [1,0,0,0,0,0|2,0,1]=4 1427 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [1,0,0,0,0,0|2,0,0]=3 1428 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [1,0,0,0,0,0|2,0,0]=3 1429 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [1,0,0,0,0,0|2,0,0]=3 1430 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [1,0,0,0,0,0|2,0,0]=3 1431 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [1,0,0,0,0,0|2,0,0]=3 1432 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [1,0,0,0,0,0|2,0,0]=3 1433 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [1,0,0,0,0,0|2,0,0]=3 1434 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [1,0,0,0,0,0|2,0,0]=3 1435 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [1,0,0,0,0,0|2,0,0]=3 1436 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [1,0,0,0,0,0|2,0,0]=3 1437 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [1,0,0,0,0,0|2,0,0]=3 1438 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [1,0,0,0,0,0|2,0,0]=3 1439 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [1,0,0,0,0,0|2,0,0]=3 1440 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [1,0,0,0,0,0|2,0,0]=3 1441 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [1,0,0,0,0,0|3,0,0]=4 1442 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 1443 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [1,0,0,0,0,0|2,0,1]=4 1444 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [1,0,0,0,0,0|2,0,1]=4 1445 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [1,0,0,0,0,0|2,0,1]=4 1446 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [1,0,0,0,0,0|2,0,0]=3 1447 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [1,0,0,0,0,0|2,0,0]=3 1448 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [1,0,0,0,0,0|2,0,0]=3 1449 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [1,0,0,0,0,0|2,0,0]=3 1450 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [1,0,0,0,0,0|2,0,0]=3 1451 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [1,0,0,0,0,0|3,0,0]=4 1452 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [1,0,0,0,0,0|1,0,0]=2 1453 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [1,0,0,0,0,0|2,0,1]=4 1454 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [1,0,0,0,0,0|2,0,1]=4 1455 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [1,0,0,0,0,0|2,0,0]=3 1456 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [1,0,0,0,0,0|2,0,0]=3 1457 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [1,0,0,0,0,0|2,0,0]=3 1458 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [1,0,0,0,0,0|2,0,0]=3 1459 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [1,0,0,0,0,0|2,0,0]=3 1460 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [1,0,0,0,0,0|3,0,0]=4 1461 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [1,0,0,0,0,0|3,0,0]=4 1462 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1463 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [1,0,0,0,0,0|3,0,0]=4 1464 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [1,0,0,0,0,0|3,0,0]=4 1465 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [1,0,0,0,0,0|3,0,0]=4 1466 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [1,0,0,0,0,0|3,0,0]=4 1467 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [1,0,0,0,0,0|3,0,0]=4 1468 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [1,0,0,0,0,0|3,0,0]=4 1469 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [1,0,0,0,0,0|3,0,0]=4 1470 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [1,0,0,0,0,0|2,0,1]=4 1471 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [1,0,0,0,0,0|2,0,0]=3 1472 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [1,0,0,0,0,0|2,0,0]=3 1473 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1474 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1475 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1476 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [1,0,0,0,0,0|3,0,0]=4 1477 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1478 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [1,0,0,0,0,0|3,0,0]=4 1479 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1480 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1481 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1482 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [1,0,0,0,0,0|3,0,0]=4 1483 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [1,0,0,0,0,0|2,0,1]=4 1484 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [1,0,0,0,0,0|2,0,1]=4 1485 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [1,0,0,0,0,0|2,0,0]=3 1486 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [1,0,0,0,0,0|2,0,0]=3 1487 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [1,0,0,0,0,0|2,0,0]=3 1488 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [1,0,0,0,0,0|2,0,0]=3 1489 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [1,0,0,0,0,0|2,0,0]=3 1490 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [1,0,0,0,0,0|3,0,0]=4 1491 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [1,0,0,0,0,0|3,0,0]=4 1492 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1493 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1494 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [1,0,0,0,0,0|3,0,0]=4 1495 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [1,0,0,0,0,0|3,0,0]=4 1496 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1497 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1498 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [1,0,0,0,0,0|3,0,0]=4 1499 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [1,0,0,0,0,0|3,0,0]=4 1500 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [1,0,0,0,0,0|3,0,0]=4 1501 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [1,0,0,0,0,0|3,0,0]=4 1502 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [1,0,0,0,0,0|3,0,0]=4 1503 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [1,0,0,0,0,0|3,0,0]=4 1504 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [1,0,0,0,0,0|3,0,0]=4 1505 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [1,0,0,0,0,0|3,0,0]=4 1506 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [1,0,0,0,0,0|3,0,0]=4 1507 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [1,0,0,0,0,0|3,0,0]=4 1508 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [1,0,0,0,0,0|2,0,1]=4 1509 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [1,0,0,0,0,0|2,0,0]=3 1510 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [1,0,0,0,0,0|2,0,0]=3 1511 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1512 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1513 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1514 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [1,0,0,0,0,0|3,0,0]=4 1515 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1516 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [1,0,0,0,0,0|3,0,0]=4 1517 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [1,0,0,0,0,0|2,0,1]=4 1518 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [1,0,0,0,0,0|2,0,0]=3 1519 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [1,0,0,0,0,0|2,0,0]=3 1520 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [1,0,0,0,0,0|3,0,0]=4 1521 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1522 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1523 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1524 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [1,0,0,0,0,0|3,0,0]=4 1525 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [1,0,0,0,0,0|2,0,1]=4 1526 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [1,0,0,0,0,0|2,0,1]=4 1527 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [1,0,0,0,0,0|2,0,1]=4 1528 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [1,0,0,0,0,0|2,0,1]=4 1529 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [1,0,0,0,0,0|2,0,1]=4 1530 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [1,0,0,0,0,0|2,0,1]=4 1531 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [1,0,0,0,0,0|2,0,0]=3 1532 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [1,0,0,0,0,0|3,0,0]=4 1533 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [1,0,0,0,0,0|2,0,0]=3 1534 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [1,0,0,0,0,0|2,0,0]=3 1535 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [1,0,0,0,0,0|2,0,0]=3 1536 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [1,0,0,0,0,0|3,0,0]=4 1537 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [1,0,0,0,0,0|3,0,0]=4 1538 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [1,0,0,0,0,0|3,0,0]=4 1539 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,0,0,0,0,0|1,0,2]=4 1540 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,0,0,0,0,0|1,0,2]=4 1541 B9R0.18 C#CCCC(=O)NCCC 11a_100020643023_100000692101 [1,0,0,0,0,0|1,0,2]=4 1542 B9R0.18 C#CCCC(=O)NCCC 1626a_100020643023_100000692101 [1,0,0,0,0,0|1,0,2]=4 1543 B9R0.18 C#CCCC(=O)NCCC 240690a_100020643023_100000692101 [1,0,0,0,0,0|1,0,2]=4 1544 B9R0.18 C#CCCC(=O)NCCC 527a_100020643023_100000692101 [1,0,0,0,0,0|1,0,2]=4 1545 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 1546 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 1547 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 1548 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,0,0,0,0,0|1,0,2]=4 1549 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,0,0,0,0,0|1,0,2]=4 1550 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [1,0,0,0,0,0|3,0,0]=4 1551 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [1,0,0,0,0,0|3,0,0]=4 1552 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [1,0,0,0,0,0|3,0,0]=4 1553 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,0,0,0,0,0|1,0,2]=4 1554 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,0,0,0,0,0|1,0,2]=4 1555 B9R0.18 C=CCCC(=O)NCCC 11a_100020643023_100000749702 [1,0,0,0,0,0|1,0,2]=4 1556 B9R0.18 C=CCCC(=O)NCCC 1626a_100020643023_100000749702 [1,0,0,0,0,0|1,0,2]=4 1557 B9R0.18 C=CCCC(=O)NCCC 240690a_100020643023_100000749702 [1,0,0,0,0,0|1,0,2]=4 1558 B9R0.18 C=CCCC(=O)NCCC 527a_100020643023_100000749702 [1,0,0,0,0,0|1,0,2]=4 1559 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,0,0,0,0,0|1,0,2]=4 1560 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,0,0,0,0,0|1,0,2]=4 1561 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,0,0,0,0,0|1,0,2]=4 1562 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,0,0,0,0,0|1,0,2]=4 1563 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,0,0,0,0,0|1,0,2]=4 1564 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,0,0,0,0,0|1,0,2]=4 1565 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,0,0,0,0,0|1,0,2]=4 1566 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,0,0,0,0,0|1,0,2]=4 1567 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,0,0,0,0,0|1,0,2]=4 1568 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,0,0,0,0,0|1,0,2]=4 1569 B9R0.18 CC=CCC(=O)NCCC 11a_100020643023_100121576822 [1,0,0,0,0,0|1,0,2]=4 1570 B9R0.18 CC=CCC(=O)NCCC 1626a_100020643023_100121576822 [1,0,0,0,0,0|1,0,2]=4 1571 B9R0.18 CC=CCC(=O)NCCC 240690a_100020643023_100121576822 [1,0,0,0,0,0|1,0,2]=4 1572 B9R0.18 CC=CCC(=O)NCCC 527a_100020643023_100121576822 [1,0,0,0,0,0|1,0,2]=4 1573 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,0,0,0,0,0|2,0,1]=4 1574 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,0,0,0,0,0|1,0,1]=3 1575 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,0,0,0,0,0|2,0,1]=4 1576 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,0,0,0,0,0|2,0,1]=4 1577 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,0,0,0,0,0|2,0,1]=4 1578 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,0,0,0,0,0|2,0,1]=4 1579 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,0,0,0,0,0|1,0,1]=3 1580 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,0,0,0,0,0|2,0,1]=4 1581 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,0,0,0,0,0|2,0,1]=4 1582 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,0,0,0,0,0|2,0,1]=4 1583 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,0,0,0,0,0|2,0,1]=4 1584 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,0,0,0,0,0|1,0,2]=4 1585 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,0,0,0,0,0|1,0,2]=4 1586 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,0,0,0,0,0|1,0,2]=4 1587 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [1,0,0,0,0,0|3,0,0]=4 1588 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,0,0,0,0,0|2,0,1]=4 1589 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,0,0,0,0,0|2,0,1]=4 1590 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,0,0,0,0,0|2,0,1]=4 1591 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,0,0,0,0,0|2,0,1]=4 1592 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,0,0,0,0,0|1,0,0]=2 1593 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,0,0,0,0,0|2,0,0]=3 1594 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,0,0,0,0,0|2,0,0]=3 1595 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,0,0,0,0,0|2,0,0]=3 1596 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,0,0,0,0,0|2,0,0]=3 1597 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,0,0,0,0,0|2,0,0]=3 1598 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,0,0,0,0,0|2,0,0]=3 1599 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,0,0,0,0,0|2,0,0]=3 1600 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,0,0,0,0,0|2,0,0]=3 1601 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,0,0,0,0,0|2,0,1]=4 1602 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,0,0,0,0,0|2,0,1]=4 1603 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,0,0,0,0,0|1,0,0]=2 1604 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,0,0,0,0,0|1,0,0]=2 1605 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,0,0,0,0,0|1,0,0]=2 1606 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,0,0,0,0,0|1,0,0]=2 1607 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,0,0,0,0,0|2,0,0]=3 1608 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,0,0,0,0,0|2,0,0]=3 1609 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,0,0,0,0,0|2,0,0]=3 1610 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,0,0,0,0,0|2,0,0]=3 1611 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,0,0,0,0,0|2,0,0]=3 1612 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,0,0,0,0,0|2,0,0]=3 1613 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,0,0,0,0,0|2,0,0]=3 1614 B9R0.18 CCCCC(C)NCCC 2230a_100000126638_100000210303 [1,0,0,0,0,0|2,0,1]=4 1615 B9R0.18 CCCCC(C)NCCC 270004a_100020643023_100000210087 [1,0,0,0,0,0|2,0,1]=4 1616 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,0,0,0,0,0|2,0,1]=4 1617 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,0,0,0,0,0|1,0,1]=3 1618 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,0,0,0,0,0|1,0,1]=3 1619 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,0,0,0,0,0|1,0,1]=3 1620 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,0,0,0,0,0|2,0,1]=4 1621 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,0,0,0,0,0|2,0,1]=4 1622 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,0,0,0,0,0|2,0,1]=4 1623 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,0,0,0,0,0|2,0,1]=4 1624 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,0,0,0,0,0|2,0,1]=4 1625 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,0,0,0,0,0|2,0,1]=4 1626 B9R0.18 CCCCC(C)SCCC 62a_100000210303_200011215066 [1,0,0,0,0,0|1,1,1]=4 1627 B9R0.18 CCCCC(C)SCCC 62a_200011215066_100000210303 [1,0,0,0,0,0|1,1,1]=4 1628 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [1,0,0,0,0,0|3,0,0]=4 1629 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [1,0,0,0,0,0|3,0,0]=4 1630 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [1,0,0,0,0,0|3,0,0]=4 1631 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [1,0,0,0,0,0|3,0,0]=4 1632 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [1,0,0,0,0,0|3,0,0]=4 1633 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [1,0,0,0,0,0|3,0,0]=4 1634 B9R0.18 CCCNC(=O)CCC#N 11a_100020643023_100011934036 [1,0,0,0,0,0|2,0,1]=4 1635 B9R0.18 CCCNC(=O)CCC#N 1626a_100020643023_100011934036 [1,0,0,0,0,0|2,0,1]=4 1636 B9R0.18 CCCNC(=O)CCC#N 240690a_100020643023_100011934036 [1,0,0,0,0,0|2,0,1]=4 1637 B9R0.18 CCCNC(=O)CCC#N 527a_100020643023_100011934036 [1,0,0,0,0,0|2,0,1]=4 1638 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,0,0,0,0,0|2,0,0]=3 1639 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,0,0,0,0,0|2,0,0]=3 1640 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,0,0,0,0,0|2,0,0]=3 1641 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,0,0,0,0,0|2,0,0]=3 1642 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,0,0,0,0,0|2,0,0]=3 1643 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,0,0,0,0,0|2,0,0]=3 1644 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,0,0,0,0,0|2,0,0]=3 1645 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,0,0,0,0,0|2,0,0]=3 1646 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,0,0,0,0,0|2,0,0]=3 1647 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,0,0,0,0,0|2,0,0]=3 1648 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,0,0,0,0,0|2,0,0]=3 1649 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,0,0,0,0,0|2,0,0]=3 1650 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,0,0,0,0,0|2,0,0]=3 1651 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,0,0,0,0,0|2,0,0]=3 1652 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,0,0,0,0,0|2,0,0]=3 1653 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,0,0,0,0,0|2,0,0]=3 1654 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,0,0,0,0,0|2,0,0]=3 1655 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,0,0,0,0,0|2,0,0]=3 1656 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,0,0,0,0,0|2,0,0]=3 1657 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,0,0,0,0,0|2,0,0]=3 1658 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,0,0,0,0,0|2,0,0]=3 1659 B9R0.18 CCCNC(=O)CSCF 62a_100000183358_100015361967 [1,0,0,0,0,0|3,0,0]=4 1660 B9R0.18 CCCNC(=O)CSCF 62a_100015361967_100000183358 [1,0,0,0,0,0|3,0,0]=4 1661 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,0,0,0,0,0|2,0,0]=3 1662 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,0,0,0,0,0|2,0,0]=3 1663 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,0,0,0,0,0|2,0,0]=3 1664 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,0,0,0,0,0|3,0,0]=4 1665 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,0,0,0,0,0|3,0,0]=4 1666 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,0,0,0,0,0|3,0,0]=4 1667 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,0,0,0,0,0|3,0,0]=4 1668 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,0,0,0,0,0|3,0,0]=4 1669 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,0,0,0,0,0|3,0,0]=4 1670 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,0,0,0,0,0|3,0,0]=4 1671 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,0,0,0,0,0|3,0,0]=4 1672 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,0,0,0,0,0|3,0,0]=4 1673 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,0,0,0,0,0|3,0,0]=4 1674 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,0,0,0,0,0|3,0,0]=4 1675 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,0,0,0,0,0|1,0,0]=2 1676 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,0,0,0,0,0|1,0,0]=2 1677 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,0,0,0,0,0|1,0,0]=2 1678 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,0,0,0,0,0|1,0,0]=2 1679 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,0,0,0,0,0|2,0,0]=3 1680 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,0,0,0,0,0|2,0,0]=3 1681 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,0,0,0,0,0|2,0,0]=3 1682 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,0,0,0,0,0|2,0,0]=3 1683 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,0,0,0,0,0|2,0,0]=3 1684 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,0,0,0,0,0|2,0,0]=3 1685 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,0,0,0,0,0|2,0,0]=3 1686 B9R0.18 CCCOC(C)CCCCl 34a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 1687 B9R0.18 CCCOC(C)CCCCl 7a_200000718107_100000210303 [1,0,0,0,0,0|2,0,1]=4 1688 B9R0.18 CCCOC(C)CNCC 2230a_100015185124_100000210202 [1,0,0,0,0,0|2,0,1]=4 1689 B9R0.18 CCCOC(C)CNCC 34a_100015185124_100000210202 [1,0,0,0,0,0|2,0,1]=4 1690 B9R0.18 CCCOC(C)COCC 34a_100000718985_100000210303 [1,0,0,0,0,0|2,0,1]=4 1691 B9R0.18 CCCOC(C)COCC 7a_100000718985_100000210303 [1,0,0,0,0,0|2,0,1]=4 1692 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,0,0,0,0,0|3,0,0]=4 1693 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,0,0,0,0,0|3,0,0]=4 1694 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,0,0,0,0,0|3,0,0]=4 1695 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,0,0,0,0,0|3,0,0]=4 1696 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,0,0,0,0,0|3,0,0]=4 1697 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,0,0,0,0,0|3,0,0]=4 1698 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,0,0,0,0,0|3,0,0]=4 1699 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,0,0,0,0,0|3,0,0]=4 1700 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,0,0,0,0,0|3,0,0]=4 1701 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,0,0,0,0,0|3,0,0]=4 1702 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,0,0,0,0,0|3,0,0]=4 1703 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,0,0,0,0,0|3,0,0]=4 1704 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,0,0,0,0,0|3,0,0]=4 1705 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,0,0,0,0,0|3,0,0]=4 1706 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,0,0,0,0,0|3,0,0]=4 1707 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,0,0,0,0,0|3,0,0]=4 1708 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,0,0,0,0,0|3,0,0]=4 1709 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,0,0,0,0,0|3,0,0]=4 1710 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,0,0,0,0,0|3,0,0]=4 1711 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,0,0,0,0,0|3,0,0]=4 1712 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,0,0,0,0,0|3,0,0]=4 1713 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,0,0,0,0,0|3,0,0]=4 1714 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,0,0,0,0,0|3,0,0]=4 1715 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,0,0,0,0,0|3,0,0]=4 1716 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,0,0,0,0,0|3,0,0]=4 1717 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,0,0,0,0,0|3,0,0]=4 1718 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,0,0,0,0,0|3,0,0]=4 1719 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,0,0,0,0,0|3,0,0]=4 1720 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,0,0,0,0,0|3,0,0]=4 1721 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,0,0,0,0,0|3,0,0]=4 1722 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,0,0,0,0,0|3,0,0]=4 1723 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,0,0,0,0,0|3,0,0]=4 1724 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,0,0,0,0,0|3,0,0]=4 1725 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,0,0,0,0,0|3,0,0]=4 1726 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,0,0,0,0,0|3,0,0]=4 1727 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,0,0,0,0,0|3,0,0]=4 1728 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,0,0,0,0,0|3,0,0]=4 1729 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,0,0,0,0,0|3,0,0]=4 1730 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,0,0,0,0,0|3,0,0]=4 1731 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,0,0,0,0,0|3,0,0]=4 1732 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,0,0,0,0,0|3,0,0]=4 1733 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,0,0,0,0,0|3,0,0]=4 1734 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,0,0,0,0,0|3,0,0]=4 1735 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,0,0,0,0,0|3,0,0]=4 1736 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,0,0,0,0,0|3,0,0]=4 1737 B9R0.45 C#CCCCCOCCC 34a_100000210258_100010269958 [1,0,0,0,0,0|0,0,3]=4 1738 B9R0.45 C#CCCCCOCCC 34a_100000766709_100000210303 [1,0,0,0,0,0|0,0,3]=4 1739 B9R0.45 C#CCCCCOCCC 7a_100000766709_100000210303 [1,0,0,0,0,0|0,0,3]=4 1740 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,0,0,0,0,0|0,0,3]=4 1741 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,0,0,0,0,0|0,0,3]=4 1742 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,0,0,0,0,0|0,0,3]=4 1743 B9R0.45 C=CCCCCOCCC 34a_100000210258_100011215482 [1,0,0,0,0,0|0,0,3]=4 1744 B9R0.45 C=CCCCCOCCC 34a_100000766645_100000210303 [1,0,0,0,0,0|0,0,3]=4 1745 B9R0.45 C=CCCCCOCCC 7a_100000766645_100000210303 [1,0,0,0,0,0|0,0,3]=4 1746 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,0,0,0,0,0|0,0,3]=4 1747 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,0,0,0,0,0|0,0,3]=4 1748 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,0,0,0,0,0|0,0,3]=4 1749 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,0,0,0,0,0|0,0,3]=4 1750 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,0,0,0,0,0|0,0,3]=4 1751 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,0,0,0,0,0|0,0,3]=4 1752 B9R0.45 CC=CCCCOCCC 34a_100020645299_100000210303 [1,0,0,0,0,0|0,0,3]=4 1753 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,0,0,0,0,0|0,0,3]=4 1754 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,0,0,0,0,0|0,0,3]=4 1755 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,0,0,0,0,0|2,0,0]=3 1756 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,0,0,0,0,0|2,0,0]=3 1757 B9R0.45 CCC/C=C/COCCF 34a_100016278788_100011217306 [1,0,0,0,0,0|3,0,0]=4 1758 B9R0.45 CCC/C=C/COCCF 7a_100016278788_100011217306 [1,0,0,0,0,0|3,0,0]=4 1759 B9R0.45 CCC/C=C/COCCO 34a_100016278788_100000211926 [1,0,0,0,0,0|3,0,0]=4 1760 B9R0.45 CCC/C=C/COCCO 7a_100016278788_100000211926 [1,0,0,0,0,0|3,0,0]=4 1761 B9R0.45 CCC/C=C/COCSC 34a_100016278788_100011218213 [1,0,0,0,0,0|3,0,0]=4 1762 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,0,0,0,0,0|2,0,1]=4 1763 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1764 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,0,0,0,0,0|2,0,1]=4 1765 B9R0.45 CCCC#CCOCCC 34a_100000034806_100000210303 [1,0,0,0,0,0|0,0,3]=4 1766 B9R0.45 CCCC#CCOCCC 7a_100000034806_100000210303 [1,0,0,0,0,0|0,0,3]=4 1767 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,0,0,0,0,0|2,0,1]=4 1768 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,0,0,0,0,0|2,0,1]=4 1769 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,0,0,0,0,0|2,0,1]=4 1770 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,0,0,0,0,0|2,0,1]=4 1771 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,0,0,0,0,0|2,0,1]=4 1772 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,0,0,0,0,0|2,0,1]=4 1773 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,0,0,0,0,0|3,0,0]=4 1774 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,0,0,0,0,0|2,0,0]=3 1775 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,0,0,0,0,0|2,0,0]=3 1776 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,0,0,0,0,0|2,0,0]=3 1777 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,0,0,0,0,0|2,0,0]=3 1778 B9R0.45 CCCCC=NNCCC 4a_100000740057_100000210104 [1,0,0,0,0,0|2,0,1]=4 1779 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,0,0,0,0,0|2,0,1]=4 1780 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,0,0,0,0,0|2,0,1]=4 1781 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,0,0,0,0,0|2,0,1]=4 1782 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,0,0,0,0,0|2,0,1]=4 1783 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,0,0,0,0,0|2,0,1]=4 1784 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,0,0,0,0,0|2,0,1]=4 1785 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,0,0,0,0,0|2,0,1]=4 1786 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,0,0,0,0,0|2,0,1]=4 1787 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,0,0,0,0,0|2,0,1]=4 1788 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,0,0,0,0,0|2,0,1]=4 1789 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,0,0,0,0,0|2,0,1]=4 1790 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,0,0,0,0,0|2,0,1]=4 1791 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,0,0,0,0,0|2,0,0]=3 1792 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1793 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1794 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,0,0,0,0,0|2,0,1]=4 1795 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,0,0,0,0,0|2,0,1]=4 1796 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,0,0,0,0,0|2,0,1]=4 1797 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1798 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,0,0,0,0,0|2,0,1]=4 1799 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1800 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,0,0,0,0,0|2,0,1]=4 1801 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,0,0,0,0,0|2,0,1]=4 1802 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1803 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,0,0,0,0,0|2,0,1]=4 1804 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,0,0,0,0,0|2,0,1]=4 1805 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,0,0,0,0,0|2,0,1]=4 1806 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,0,0,0,0,0|2,0,1]=4 1807 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,0,0,0,0,0|2,0,1]=4 1808 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,0,0,0,0,0|2,0,1]=4 1809 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,0,0,0,0,0|2,0,1]=4 1810 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 1811 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,0,0,0,0,0|2,0,1]=4 1812 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,0,0,0,0,0|2,0,1]=4 1813 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,0,0,0,0,0|2,0,1]=4 1814 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1815 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,0,0,0,0,0|1,0,1]=3 1816 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,0,0,0,0,0|2,0,1]=4 1817 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,0,0,0,0,0|2,0,1]=4 1818 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,0,0,0,0,0|2,0,1]=4 1819 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,0,0,0,0,0|2,0,1]=4 1820 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,0,0,0,0,0|2,0,1]=4 1821 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,0,0,0,0,0|2,0,1]=4 1822 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,0,0,0,0,0|2,0,1]=4 1823 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,0,0,0,0,0|1,0,2]=4 1824 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,0,0,0,0,0|1,0,2]=4 1825 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,0,0,0,0,0|1,0,2]=4 1826 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,0,0,0,0,0|1,0,1]=3 1827 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,0,0,0,0,0|0,0,1]=2 1828 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,0,0,0,0,0|0,0,1]=2 1829 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,0,0,0,0,0|0,0,1]=2 1830 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,0,0,0,0,0|1,0,1]=3 1831 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,0,0,0,0,0|1,0,1]=3 1832 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,0,0,0,0,0|1,0,1]=3 1833 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 1834 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,0,0,0,0,0|1,0,1]=3 1835 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,0,0,0,0,0|1,0,1]=3 1836 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,0,0,0,0,0|0,1,1]=3 1837 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,0,0,0,0,0|0,1,1]=3 1838 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,0,0,0,0,0|1,1,1]=4 1839 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,0,0,0,0,0|1,1,1]=4 1840 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,0,0,0,0,0|1,1,1]=4 1841 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,0,0,0,0,0|1,1,1]=4 1842 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,0,0,0,0,0|1,1,1]=4 1843 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,0,0,0,0,0|1,1,1]=4 1844 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,0,0,0,0,0|1,1,1]=4 1845 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,0,0,0,0,0|1,1,1]=4 1846 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,0,0,0,0,0|2,0,0]=3 1847 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,0,0,0,0,0|2,0,0]=3 1848 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,0,0,0,0,0|2,0,0]=3 1849 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,0,0,0,0,0|3,0,0]=4 1850 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,0,0,0,0,0|3,0,0]=4 1851 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,0,0,0,0,0|3,0,0]=4 1852 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,0,0,0,0,0|3,0,0]=4 1853 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,0,0,0,0,0|3,0,0]=4 1854 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,0,0,0,0,0|3,0,0]=4 1855 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,0,0,0,0,0|3,0,0]=4 1856 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,0,0,0,0,0|3,0,0]=4 1857 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,0,0,0,0,0|3,0,0]=4 1858 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,0,0,0,0,0|3,0,0]=4 1859 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,0,0,0,0,0|3,0,0]=4 1860 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,0,0,0,0,0|2,0,0]=3 1861 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,0,0,0,0,0|2,0,0]=3 1862 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,0,0,0,0,0|2,0,0]=3 1863 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,0,0,0,0,0|2,0,0]=3 1864 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,0,0,0,0,0|3,0,0]=4 1865 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,0,0,0,0,0|3,0,0]=4 1866 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,0,0,0,0,0|3,0,0]=4 1867 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,0,0,0,0,0|3,0,0]=4 1868 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,0,0,0,0,0|3,0,0]=4 1869 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,0,0,0,0,0|3,0,0]=4 1870 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,0,0,0,0,0|3,0,0]=4 1871 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,0,0,0,0,0|3,0,0]=4 1872 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,0,0,0,0,0|3,0,0]=4 1873 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 1874 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,0,0,0,0,0|3,0,0]=4 1875 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,0,0,0,0,0|3,0,0]=4 1876 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 1877 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,0,0,0,0,0|3,0,0]=4 1878 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 1879 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,0,0,0,0,0|3,0,0]=4 1880 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,0,0,0,0,0|3,0,0]=4 1881 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,0,0,0,0,0|3,0,0]=4 1882 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,0,0,0,0,0|2,0,0]=3 1883 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,0,0,0,0,0|2,0,0]=3 1884 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,0,0,0,0,0|3,0,0]=4 1885 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,0,0,0,0,0|3,0,0]=4 1886 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,0,0,0,0,0|3,0,0]=4 1887 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,0,0,0,0,0|3,0,0]=4 1888 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,0,0,0,0,0|3,0,0]=4 1889 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,0,0,0,0,0|3,0,0]=4 1890 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,0,0,0,0,0|3,0,0]=4 1891 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,0,0,0,0,0|3,0,0]=4 1892 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,0,0,0,0,0|3,0,0]=4 1893 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,0,0,0,0,0|3,0,0]=4 1894 B9R0.45 CCCCNCCCCF 2230a_100000102301_100000729493 [1,0,0,0,0,0|3,0,0]=4 1895 B9R0.45 CCCCNCCCCF 7a_106832991798_100000729493 [1,0,0,0,0,0|3,0,0]=4 1896 B9R0.45 CCCCNCCCCO 2230a_100000102301_100000210776 [1,0,0,0,0,0|3,0,0]=4 1897 B9R0.45 CCCCNCCCCO 2230a_100000750430_100000210211 [1,0,0,0,0,0|3,0,0]=4 1898 B9R0.45 CCCCNCCCCO 34a_100000750430_100000210210 [1,0,0,0,0,0|3,0,0]=4 1899 B9R0.45 CCCCNCCCCO 7a_106832991798_100000210776 [1,0,0,0,0,0|3,0,0]=4 1900 B9R0.45 CCCCNCCCOC 2230a_100000102301_100000740836 [1,0,0,0,0,0|3,0,0]=4 1901 B9R0.45 CCCCNCCCOC 34a_100150723488_100000210210 [1,0,0,0,0,0|3,0,0]=4 1902 B9R0.45 CCCCNCCCOC 7a_106832991798_100000740836 [1,0,0,0,0,0|3,0,0]=4 1903 B9R0.45 CCCCNCCCSC 2230a_100000749238_100000210211 [1,0,0,0,0,0|3,0,0]=4 1904 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,0,0,0,0,0|3,0,0]=4 1905 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,0,0,0,0,0|3,0,0]=4 1906 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,0,0,0,0,0|3,0,0]=4 1907 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,0,0,0,0,0|3,0,0]=4 1908 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,0,0,0,0,0|3,0,0]=4 1909 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,0,0,0,0,0|3,0,0]=4 1910 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,0,0,0,0,0|3,0,0]=4 1911 B9R0.45 CCCCOCCCCBr 34a_100011216708_100000210210 [1,0,0,0,0,0|3,0,0]=4 1912 B9R0.45 CCCCOCCCCCl 34a_100000210776_100000210210 [1,0,0,0,0,0|3,0,0]=4 1913 B9R0.45 CCCCOCCCCCl 7a_100000210776_100000210211 [1,0,0,0,0,0|3,0,0]=4 1914 B9R0.45 CCCCOCCCCF 34a_100000210227_100000729493 [1,0,0,0,0,0|3,0,0]=4 1915 B9R0.45 CCCCOCCCCF 34a_100011995726_100000210210 [1,0,0,0,0,0|3,0,0]=4 1916 B9R0.45 CCCCOCCCCF 7a_100000210227_100000729493 [1,0,0,0,0,0|3,0,0]=4 1917 B9R0.45 CCCCOCCCCF 7a_100011995726_100000210211 [1,0,0,0,0,0|3,0,0]=4 1918 B9R0.45 CCCCOCCCCI 34a_200012148704_100000210210 [1,0,0,0,0,0|3,0,0]=4 1919 B9R0.45 CCCCOCCCCN 34a_100000750430_100000210210 [1,0,0,0,0,0|3,0,0]=4 1920 B9R0.45 CCCCOCCCCO 34a_100000210227_100011216708 [1,0,0,0,0,0|3,0,0]=4 1921 B9R0.45 CCCCOCCCCO 7a_100000210227_100000210776 [1,0,0,0,0,0|3,0,0]=4 1922 B9R0.45 CCCCOCCCNC 2230a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 1923 B9R0.45 CCCCOCCCNC 34a_100000213112_100000210210 [1,0,0,0,0,0|3,0,0]=4 1924 B9R0.45 CCCCOCCCNC 34a_200000211371_200000210301 [1,0,0,0,0,0|3,0,0]=4 1925 B9R0.45 CCCCOCCCN[13CH3] 2230a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 1926 B9R0.45 CCCCOCCCN[13CH3] 34a_200000211371_200025704644 [1,0,0,0,0,0|3,0,0]=4 1927 B9R0.45 CCCCOCCCOC 34a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 1928 B9R0.45 CCCCOCCCOC 34a_100000740835_100000210210 [1,0,0,0,0,0|3,0,0]=4 1929 B9R0.45 CCCCOCCCOC 34a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 1930 B9R0.45 CCCCOCCCOC 7a_100000210227_100000740836 [1,0,0,0,0,0|3,0,0]=4 1931 B9R0.45 CCCCOCCCOC 7a_200011215613_200000210301 [1,0,0,0,0,0|3,0,0]=4 1932 B9R0.45 CCCCOCCCO[13CH3] 34a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 1933 B9R0.45 CCCCOCCCO[13CH3] 7a_200011215613_200025704644 [1,0,0,0,0,0|3,0,0]=4 1934 B9R0.45 CCCCOCCCSC 34a_100000690336_100000210210 [1,0,0,0,0,0|3,0,0]=4 1935 B9R0.45 CCCCOCCCSC 7a_100000690336_100000210211 [1,0,0,0,0,0|3,0,0]=4 1936 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,0,0,0,0,0|3,0,0]=4 1937 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,0,0,0,0,0|3,0,0]=4 1938 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,0,0,0,0,0|3,0,0]=4 1939 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,0,0,0,0,0|3,0,0]=4 1940 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,0,0,0,0,0|3,0,0]=4 1941 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,0,0,0,0,0|3,0,0]=4 1942 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,0,0,0,0,0|3,0,0]=4 1943 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,0,0,0,0,0|3,0,0]=4 1944 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,0,0,0,0,0|3,0,0]=4 1945 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,0,0,0,0,0|3,0,0]=4 1946 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,0,0,0,0,0|3,0,0]=4 1947 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,0,0,0,0,0|3,0,0]=4 1948 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,0,0,0,0,0|3,0,0]=4 1949 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,0,0,0,0,0|3,0,0]=4 1950 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,0,0,0,0,0|2,0,1]=4 1951 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,0,0,0,0,0|1,0,1]=3 1952 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,0,0,0,0,0|2,0,1]=4 1953 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,0,0,0,0,0|1,1,1]=4 1954 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,0,0,0,0,0|1,1,1]=4 1955 B9R0.45 CCCCSCCCCF 62a_100000210211_100000729493 [1,0,0,0,0,0|3,0,0]=4 1956 B9R0.45 CCCCSCCCCF 62a_100000729493_100000210210 [1,0,0,0,0,0|3,0,0]=4 1957 B9R0.45 CCCCSCCCCO 62a_100000210211_100000210776 [1,0,0,0,0,0|3,0,0]=4 1958 B9R0.45 CCCCSCCCCO 62a_100000210776_100000210210 [1,0,0,0,0,0|3,0,0]=4 1959 B9R0.45 CCCCSCCCOC 62a_100000210211_100000709357 [1,0,0,0,0,0|3,0,0]=4 1960 B9R0.45 CCCCSCCCOC 62a_100000709357_100000210210 [1,0,0,0,0,0|3,0,0]=4 1961 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,0,0,0,0,0|3,0,0]=4 1962 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,0,0,0,0,0|3,0,0]=4 1963 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,0,0,0,0,0|3,0,0]=4 1964 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,0,0,0,0,0|3,0,0]=4 1965 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,0,0,0,0,0|3,0,0]=4 1966 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,0,0,0,0,0|3,0,0]=4 1967 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,0,0,0,0,0|3,0,0]=4 1968 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1969 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,0,0,0,0,0|2,0,1]=4 1970 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,0,0,0,0,0|2,0,1]=4 1971 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,0,0,0,0,0|2,0,1]=4 1972 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,0,0,0,0,0|1,0,1]=3 1973 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,0,0,0,0,0|1,0,1]=3 1974 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1975 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 1976 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,0,0,0,0,0|1,1,1]=4 1977 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,0,0,0,0,0|1,0,1]=3 1978 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,0,0,0,0,0|1,0,1]=3 1979 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,0,0,0,0,0|1,0,1]=3 1980 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,0,0,0,0,0|1,0,1]=3 1981 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,0,0,0,0,0|1,0,1]=3 1982 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,0,0,0,0,0|1,0,1]=3 1983 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,0,0,0,0,0|1,0,1]=3 1984 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,0,0,0,0,0|1,0,1]=3 1985 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,0,0,0,0,0|1,0,1]=3 1986 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,0,0,0,0,0|1,0,1]=3 1987 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,0,0,0,0,0|1,0,1]=3 1988 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,0,0,0,0,0|1,0,1]=3 1989 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,0,0,0,0,0|1,0,1]=3 1990 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,0,0,0,0,0|1,0,1]=3 1991 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,0,0,0,0,0|1,0,1]=3 1992 B9R0.45 CCCOCCCNCF 34a_100011217757_100015361967 [1,0,0,0,0,0|2,0,1]=4 1993 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,0,0,0,0,0|1,0,1]=3 1994 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 1995 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,0,0,0,0,0|1,0,1]=3 1996 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,0,0,0,0,0|1,0,1]=3 1997 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,0,0,0,0,0|1,0,1]=3 1998 B9R0.45 CCCOCCNCCF 2230a_100161115042_100011217306 [1,0,0,0,0,0|2,0,1]=4 1999 B9R0.45 CCCOCCNCCF 34a_100000724931_100011215938 [1,0,0,0,0,0|2,0,1]=4 2000 B9R0.45 CCCOCCNCCF 34a_100161115042_100011217306 [1,0,0,0,0,0|2,0,1]=4 2001 B9R0.45 CCCOCCNCCO 2230a_100016997473_100011215938 [1,0,0,0,0,0|2,0,1]=4 2002 B9R0.45 CCCOCCNCCO 2230a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2003 B9R0.45 CCCOCCNCCO 34a_100016990907_100011215938 [1,0,0,0,0,0|2,0,1]=4 2004 B9R0.45 CCCOCCNCCO 34a_100161115042_100000211926 [1,0,0,0,0,0|2,0,1]=4 2005 B9R0.45 CCCOCCNCOC 2230a_100161115042_100000766300 [1,0,0,0,0,0|2,0,1]=4 2006 B9R0.45 CCCOCCNCSC 2230a_100161115042_100011218213 [1,0,0,0,0,0|2,0,1]=4 2007 B9R0.45 CCCOCCNCSC 34a_100161115042_100011218213 [1,0,0,0,0,0|2,0,1]=4 2008 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,0,0,0,0,0|2,0,1]=4 2009 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,0,0,0,0,0|2,0,1]=4 2010 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,0,0,0,0,0|2,0,1]=4 2011 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,0,0,0,0,0|1,0,1]=3 2012 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,0,0,0,0,0|1,0,1]=3 2013 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,0,0,0,0,0|1,0,1]=3 2014 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,0,0,0,0,0|2,0,1]=4 2015 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,0,0,0,0,0|2,0,1]=4 2016 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,0,0,0,0,0|2,0,1]=4 2017 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,0,0,0,0,0|2,0,1]=4 2018 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,0,0,0,0,0|2,0,1]=4 2019 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,0,0,0,0,0|2,0,1]=4 2020 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,0,0,0,0,0|2,0,1]=4 2021 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,0,0,0,0,0|2,0,1]=4 2022 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,0,0,0,0,0|2,0,1]=4 2023 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,0,0,0,0,0|2,0,1]=4 2024 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,0,0,0,0,0|2,0,1]=4 2025 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2026 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,0,0,0,0,0|2,0,1]=4 2027 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,0,0,0,0,0|2,0,1]=4 2028 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,0,0,0,0,0|1,0,1]=3 2029 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,0,0,0,0,0|1,0,1]=3 2030 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,0,0,0,0,0|1,0,1]=3 2031 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,0,0,0,0,0|1,0,1]=3 2032 B9R0.45 CCCOCCSCCF 62a_100011215938_100011217306 [1,0,0,0,0,0|2,0,1]=4 2033 B9R0.45 CCCOCCSCCF 62a_100011217306_100011215938 [1,0,0,0,0,0|2,0,1]=4 2034 B9R0.45 CCCOCCSCCO 62a_100000211926_100011215938 [1,0,0,0,0,0|2,0,1]=4 2035 B9R0.45 CCCOCCSCCO 62a_100011215938_100000211926 [1,0,0,0,0,0|2,0,1]=4 2036 B9R0.45 CCCOCCSCOC 62a_100000766300_100011215938 [1,0,0,0,0,0|2,0,1]=4 2037 B9R0.45 CCCOCCSCOC 62a_100011215938_100000766300 [1,0,0,0,0,0|2,0,1]=4 2038 B9R0.45 CCCOCCSCSC 62a_100011215938_100011218213 [1,0,0,0,0,0|2,0,1]=4 2039 B9R0.45 CCCOCCSCSC 62a_100011218213_100011215938 [1,0,0,0,0,0|2,0,1]=4 2040 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,0,0,0,0,0|1,1,1]=4 2041 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,0,0,0,0,0|1,1,1]=4 2042 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,0,0,0,0,0|1,1,1]=4 2043 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,0,0,0,0,0|1,1,1]=4 2044 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,0,0,0,0,0|1,1,1]=4 2045 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,0,0,0,0,0|1,1,1]=4 2046 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,0,0,0,0,0|1,1,1]=4 2047 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,0,0,0,0,0|1,1,1]=4 2048 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,0,0,0,0,0|2,0,1]=4 2049 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,0,0,0,0,0|2,0,1]=4 2050 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2051 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,0,0,0,0,0|2,0,1]=4 2052 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,0,0,0,0,0|2,0,1]=4 2053 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,0,0,0,0,0|2,0,1]=4 2054 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,0,0,0,0,0|2,0,1]=4 2055 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [1,0,0,0,0,0|3,0,0]=4 2056 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,0,0,0,0,0|2,0,1]=4 2057 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 2058 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,0,0,0,0,0|2,0,1]=4 2059 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,0,0,0,0,0|2,0,1]=4 2060 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2061 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,0,0,0,0,0|2,0,1]=4 2062 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,0,0,0,0,0|2,0,1]=4 2063 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,0,0,0,0,0|2,0,1]=4 2064 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,0,0,0,0,0|2,0,1]=4 2065 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2066 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,0,0,0,0,0|2,0,1]=4 2067 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,0,0,0,0,0|2,0,1]=4 2068 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,0,0,0,0,0|2,0,1]=4 2069 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,0,0,0,0,0|2,0,1]=4 2070 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,0,0,0,0,0|2,0,1]=4 2071 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,0,0,0,0,0|2,0,1]=4 2072 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,0,0,0,0,0|2,0,1]=4 2073 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 2074 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,0,0,0,0,0|2,0,1]=4 2075 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2076 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,0,0,0,0,0|2,0,1]=4 2077 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,0,0,0,0,0|2,0,1]=4 2078 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,0,0,0,0,0|2,0,1]=4 2079 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,0,0,0,0,0|2,0,1]=4 2080 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,0,0,0,0,0|2,0,1]=4 2081 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,0,0,0,0,0|2,0,1]=4 2082 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,0,0,0,0,0|2,0,1]=4 2083 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,0,0,0,0,0|2,0,1]=4 2084 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,0,0,0,0,0|2,0,1]=4 2085 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,0,0,0,0,0|2,0,1]=4 2086 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,0,0,0,0,0|2,0,1]=4 2087 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,0,0,0,0,0|2,0,1]=4 2088 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,0,0,0,0,0|2,0,1]=4 2089 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,0,0,0,0,0|2,0,1]=4 2090 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,0,0,0,0,0|2,0,1]=4 2091 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,0,0,0,0,0|2,0,1]=4 2092 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,0,0,0,0,0|2,0,1]=4 2093 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,0,0,0,0,0|2,0,1]=4 2094 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2095 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,0,0,0,0,0|2,0,1]=4 2096 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2097 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,0,0,0,0,0|2,0,1]=4 2098 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2099 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,0,0,0,0,0|2,0,1]=4 2100 B11R0.5 C#CCC(=O)CC(=O)OCCC 1458a_100011220946_200011215008 [0,1,0,0,0,0|0,0,3]=4 2101 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,1,0,0,0,0|1,0,2]=4 2102 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,1,0,0,0,0|1,0,2]=4 2103 B11R0.5 C#CCN(C)CC(=O)OCCC 2230a_100000225692_200011215008 [0,1,0,0,0,0|1,0,2]=4 2104 B11R0.5 C#CCN(C)CC(=O)OCCC 34a_100000225692_200011215008 [0,1,0,0,0,0|1,0,2]=4 2105 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 2106 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 2107 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 2108 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [0,1,0,0,0,0|1,0,2]=4 2109 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,1,0,0,0,0|1,0,2]=4 2110 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,1,0,0,0,0|2,0,1]=4 2111 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,1,0,0,0,0|1,0,1]=3 2112 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,1,0,0,0,0|2,0,1]=4 2113 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,1,0,0,0,0|2,0,1]=4 2114 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,1,0,0,0,0|2,0,1]=4 2115 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,1,0,0,0,0|2,0,1]=4 2116 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,1,0,0,0,0|1,0,1]=3 2117 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,1,0,0,0,0|1,0,1]=3 2118 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,1,0,0,0,0|1,0,1]=3 2119 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 2120 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 2121 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,1,0,0,0,0|2,0,1]=4 2122 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,1,0,0,0,0|2,0,1]=4 2123 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,1,0,0,0,0|2,0,1]=4 2124 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,1,0,0,0,0|2,0,1]=4 2125 B11R0.5 C=C(CN(C)CCC)OCOC 269982a_100000747261_100000042856 [0,1,0,0,0,0|3,0,0]=4 2126 B11R0.5 C=CCC(=O)CC(=O)OCCC 1458a_100000210193_200011215008 [0,1,0,0,0,0|0,0,3]=4 2127 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,1,0,0,0,0|1,0,2]=4 2128 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,1,0,0,0,0|1,0,2]=4 2129 B11R0.5 C=CCN(C)CC(=O)OCCC 2230a_100000225617_200011215008 [0,1,0,0,0,0|1,0,2]=4 2130 B11R0.5 C=CCN(C)CC(=O)OCCC 269982a_100000225617_200011215008 [0,1,0,0,0,0|1,0,2]=4 2131 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,1,0,0,0,0|1,0,2]=4 2132 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,1,0,0,0,0|1,0,2]=4 2133 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,1,0,0,0,0|1,0,2]=4 2134 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,1,0,0,0,0|0,0,3]=4 2135 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,1,0,0,0,0|1,0,2]=4 2136 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,1,0,0,0,0|1,0,2]=4 2137 B11R0.5 CC#CC(=O)CC(=O)OCCC 1458a_100000763181_200011215008 [0,1,0,0,0,0|0,0,3]=4 2138 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,1,0,0,0,0|1,0,2]=4 2139 B11R0.5 CC=CC(=O)CC(=O)OCCC 1458a_100000210699_200011215008 [0,1,0,0,0,0|0,0,3]=4 2140 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,1,0,0,0,0|1,0,2]=4 2141 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,1,0,0,0,0|1,0,2]=4 2142 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,1,0,0,0,0|1,0,2]=4 2143 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,1,0,0,0,0|1,0,1]=3 2144 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,1,0,0,0,0|1,0,2]=4 2145 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,1,0,0,0,0|1,0,1]=3 2146 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,1,0,0,0,0|2,0,1]=4 2147 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,1,0,0,0,0|2,0,1]=4 2148 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,1,0,0,0,0|2,0,1]=4 2149 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,1,0,0,0,0|2,0,1]=4 2150 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,1,0,0,0,0|2,0,1]=4 2151 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,1,0,0,0,0|2,0,1]=4 2152 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,1,0,0,0,0|2,0,1]=4 2153 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,1,0,0,0,0|2,0,1]=4 2154 B11R0.5 CCCC(C)CC(=O)C=COC 1458a_100016268678_100011216630 [0,1,0,0,0,0|2,0,1]=4 2155 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,1,0,0,0,0|2,0,1]=4 2156 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,1,0,0,0,0|2,0,1]=4 2157 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,1,0,0,0,0|2,0,0]=3 2158 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,1,0,0,0,0|2,0,0]=3 2159 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,1,0,0,0,0|2,0,0]=3 2160 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,1,0,0,0,0|2,0,0]=3 2161 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,1,0,0,0,0|2,0,0]=3 2162 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,1,0,0,0,0|2,0,0]=3 2163 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,1,0,0,0,0|2,0,0]=3 2164 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,1,0,0,0,0|2,0,0]=3 2165 B11R0.5 CCCC(C)CC(=O)NCC#N 1626a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 2166 B11R0.5 CCCC(C)CC(=O)NCC#N 527a_100000734998_100000748435 [0,1,0,0,0,0|2,0,1]=4 2167 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 2168 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 2169 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 2170 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,1,0,0,0,0|2,0,0]=3 2171 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,1,0,0,0,0|2,0,0]=3 2172 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,1,0,0,0,0|2,0,0]=3 2173 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,1,0,0,0,0|2,0,0]=3 2174 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 2175 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 2176 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 2177 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,1,0,0,0,0|3,0,0]=4 2178 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 2179 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 2180 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 2181 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,1,0,0,0,0|3,0,0]=4 2182 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,1,0,0,0,0|3,0,0]=4 2183 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,1,0,0,0,0|3,0,0]=4 2184 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,1,0,0,0,0|3,0,0]=4 2185 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,1,0,0,0,0|3,0,0]=4 2186 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,1,0,0,0,0|3,0,0]=4 2187 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,1,0,0,0,0|3,0,0]=4 2188 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,1,0,0,0,0|3,0,0]=4 2189 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,1,0,0,0,0|3,0,0]=4 2190 B11R0.5 CCCC(C)NC(=O)NCCF 2708a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 2191 B11R0.5 CCCC(C)NC(=O)NCCF 273464a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 2192 B11R0.5 CCCC(C)NC(=O)NCCF 512a_100000741246_100000724931 [0,1,0,0,0,0|3,0,0]=4 2193 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 2194 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 2195 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,1,0,0,0,0|3,0,0]=4 2196 B11R0.5 CCCC(C)NC(=O)NNCC 273464a_100000741246_100000756455 [0,1,0,0,0,0|3,0,0]=4 2197 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000741246_100000756455 [0,1,0,0,0,0|3,0,0]=4 2198 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000756455_100000741246 [0,1,0,0,0,0|3,0,0]=4 2199 B11R0.5 CCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210211 [0,1,0,0,0,0|1,0,2]=4 2200 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,1,0,0,0,0|1,0,1]=3 2201 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,1,0,0,0,0|2,0,1]=4 2202 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,1,0,0,0,0|2,0,1]=4 2203 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,1,0,0,0,0|2,0,1]=4 2204 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,1,0,0,0,0|1,0,0]=2 2205 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,1,0,0,0,0|1,0,0]=2 2206 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,1,0,0,0,0|2,0,0]=3 2207 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,1,0,0,0,0|2,0,0]=3 2208 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,1,0,0,0,0|2,0,0]=3 2209 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,1,0,0,0,0|2,0,0]=3 2210 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,1,0,0,0,0|2,0,0]=3 2211 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,1,0,0,0,0|2,0,0]=3 2212 B11R0.5 CCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210183 [0,1,0,0,0,0|3,0,0]=4 2213 B11R0.5 CCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000210183 [0,1,0,0,0,0|3,0,0]=4 2214 B11R0.5 CCCCC(=O)N[C@H](C)COC 11a_100000764878_100000210183 [0,1,0,0,0,0|3,0,0]=4 2215 B11R0.5 CCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000210183 [0,1,0,0,0,0|3,0,0]=4 2216 B11R0.5 CCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000210183 [0,1,0,0,0,0|3,0,0]=4 2217 B11R0.5 CCCCC(=O)N[C@H](C)COC 527a_100000764878_100000210183 [0,1,0,0,0,0|3,0,0]=4 2218 B11R0.5 CCCCN(C)CC(C)CCC 2230a_100000207549_100011216630 [0,1,0,0,0,0|3,0,0]=4 2219 B11R0.5 CCCCN(C)CC(C)CCC 269982a_100000207549_100011216630 [0,1,0,0,0,0|3,0,0]=4 2220 B11R0.5 CCCCN(C)CC(C)CCC 270004a_100000207549_100000243154 [0,1,0,0,0,0|3,0,0]=4 2221 B11R0.5 CCCNC(=O)C=C(C)CCC 11a_100020643023_100020676950 [0,1,0,0,0,0|1,0,2]=4 2222 B11R0.5 CCCNC(=O)C=C(C)CCC 1626a_100020643023_100020676950 [0,1,0,0,0,0|1,0,2]=4 2223 B11R0.5 CCCNC(=O)C=C(C)CCC 240690a_100020643023_100020676950 [0,1,0,0,0,0|1,0,2]=4 2224 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,1,0,0,0,0|1,0,1]=3 2225 B11R0.5 CCCNC(=O)CC(=O)CCO 1458a_100011216618_100000183358 [0,1,0,0,0,0|2,0,1]=4 2226 B11R0.5 CCCNC(=O)CC(=O)COC 1458a_100000210968_100000183358 [0,1,0,0,0,0|2,0,1]=4 2227 B11R0.5 CCCNC(=O)CC(=O)CSC 1458a_100000184570_100000183358 [0,1,0,0,0,0|2,0,1]=4 2228 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,1,0,0,0,0|2,0,1]=4 2229 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,1,0,0,0,0|1,0,0]=2 2230 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,1,0,0,0,0|1,0,0]=2 2231 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,1,0,0,0,0|1,0,0]=2 2232 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,1,0,0,0,0|1,0,0]=2 2233 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,1,0,0,0,0|2,0,0]=3 2234 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,1,0,0,0,0|2,0,0]=3 2235 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,1,0,0,0,0|2,0,0]=3 2236 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,1,0,0,0,0|2,0,0]=3 2237 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,1,0,0,0,0|2,0,0]=3 2238 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,1,0,0,0,0|2,0,0]=3 2239 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,1,0,0,0,0|2,0,0]=3 2240 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,1,0,0,0,0|2,0,0]=3 2241 B11R0.5 CCCNC(=O)CN(C)CCF 2230a_100000684209_100011217306 [0,1,0,0,0,0|3,0,0]=4 2242 B11R0.5 CCCNC(=O)CN(C)CCF 269982a_100000684209_100011217306 [0,1,0,0,0,0|3,0,0]=4 2243 B11R0.5 CCCNC(=O)CN(C)CCO 2230a_100000210263_100000183358 [0,1,0,0,0,0|3,0,0]=4 2244 B11R0.5 CCCNC(=O)CN(C)CCO 2230a_100000684209_100000211926 [0,1,0,0,0,0|3,0,0]=4 2245 B11R0.5 CCCNC(=O)CN(C)CCO 269982a_100000210263_100000183358 [0,1,0,0,0,0|3,0,0]=4 2246 B11R0.5 CCCNC(=O)CN(C)CCO 269982a_100000684209_100000211926 [0,1,0,0,0,0|3,0,0]=4 2247 B11R0.5 CCCNC(=O)CN(C)COC 2230a_100000684209_100000766300 [0,1,0,0,0,0|3,0,0]=4 2248 B11R0.5 CCCNC(=O)CN(C)COC 269982a_100000684209_100000766300 [0,1,0,0,0,0|3,0,0]=4 2249 B11R0.5 CCCNC(=O)CN(C)CSC 2230a_100000684209_100011218213 [0,1,0,0,0,0|3,0,0]=4 2250 B11R0.5 CCCNC(=O)CN(C)CSC 269982a_100000684209_100011218213 [0,1,0,0,0,0|3,0,0]=4 2251 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 2252 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 2253 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 2254 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,1,0,0,0,0|2,0,0]=3 2255 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,1,0,0,0,0|2,0,0]=3 2256 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,1,0,0,0,0|2,0,0]=3 2257 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,1,0,0,0,0|2,0,0]=3 2258 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,1,0,0,0,0|2,0,0]=3 2259 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,1,0,0,0,0|2,0,0]=3 2260 B11R0.5 CCCNC(=O)N[C@H](C)CCO 2708a_100020643023_100000706166 [0,1,0,0,0,0|3,0,0]=4 2261 B11R0.5 CCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100020643023 [0,1,0,0,0,0|3,0,0]=4 2262 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100000706166_100020643023 [0,1,0,0,0,0|3,0,0]=4 2263 B11R0.5 CCCNC(=O)N[C@H](C)CCO 512a_100020643023_100000706166 [0,1,0,0,0,0|3,0,0]=4 2264 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100000764878_100020643023 [0,1,0,0,0,0|3,0,0]=4 2265 B11R0.5 CCCNC(=O)N[C@H](C)COC 2708a_100020643023_100000764878 [0,1,0,0,0,0|3,0,0]=4 2266 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100000764878_100020643023 [0,1,0,0,0,0|3,0,0]=4 2267 B11R0.5 CCCNC(=O)N[C@H](C)COC 273464a_100020643023_100000764878 [0,1,0,0,0,0|3,0,0]=4 2268 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100000764878_100020643023 [0,1,0,0,0,0|3,0,0]=4 2269 B11R0.5 CCCNC(=O)N[C@H](C)COC 512a_100020643023_100000764878 [0,1,0,0,0,0|3,0,0]=4 2270 B11R0.5 CCCOC(=O)CC(=O)CC#N 1458a_100051588842_200011215008 [0,1,0,0,0,0|1,0,2]=4 2271 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,1,0,0,0,0|0,0,1]=2 2272 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,1,0,0,0,0|1,0,1]=3 2273 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,1,0,0,0,0|1,0,1]=3 2274 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,1,0,0,0,0|1,0,1]=3 2275 B11R0.5 CCCOC(=O)CN(C)CC#N 2230a_100000748184_200011215008 [0,1,0,0,0,0|2,0,1]=4 2276 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,1,0,0,0,0|1,0,0]=2 2277 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,1,0,0,0,0|1,0,0]=2 2278 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [0,1,0,0,0,0|2,0,0]=3 2279 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [0,1,0,0,0,0|2,0,0]=3 2280 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,1,0,0,0,0|3,0,0]=4 2281 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,1,0,0,0,0|3,0,0]=4 2282 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,1,0,0,0,0|3,0,0]=4 2283 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,1,0,0,0,0|3,0,0]=4 2284 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 2285 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 2286 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 2287 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,1,0,0,0,0|3,0,0]=4 2288 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,1,0,0,0,0|3,0,0]=4 2289 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,1,0,0,0,0|3,0,0]=4 2290 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,1,0,0,0,0|3,0,0]=4 2291 B11R0.5 CCNNC(=O)CC(C)SCC 22a_100000756455_200011311441 [0,1,0,0,0,0|3,0,0]=4 2292 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,1,0,0,0,0|3,0,0]=4 2293 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,1,0,0,0,0|3,0,0]=4 2294 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,1,0,0,0,0|3,0,0]=4 2295 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,1,0,0,0,0|3,0,0]=4 2296 B11R0.5 CCSC(C)CC(=O)NCCF 11a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 2297 B11R0.5 CCSC(C)CC(=O)NCCF 1626a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 2298 B11R0.5 CCSC(C)CC(=O)NCCF 240690a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 2299 B11R0.5 CCSC(C)CC(=O)NCCF 527a_100000724931_200011311441 [0,1,0,0,0,0|3,0,0]=4 2300 B11R0.5 CCSC(C)CC(=O)NCCO 240690a_100000210304_200011311441 [0,1,0,0,0,0|3,0,0]=4 2301 B11R0.5 CCSC(C)CC(=O)NCCO 527a_100000210304_200011311441 [0,1,0,0,0,0|3,0,0]=4 2302 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [0,1,0,0,0,0|1,0,2]=4 2303 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [0,1,0,0,0,0|1,0,2]=4 2304 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [0,1,0,0,0,0|1,0,2]=4 2305 B11R0.11 C#CCNC(=O)C(C)CCCC 11a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 2306 B11R0.11 C#CCNC(=O)C(C)CCCC 1626a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 2307 B11R0.11 C#CCNC(=O)C(C)CCCC 240690a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 2308 B11R0.11 C#CCNC(=O)C(C)CCCC 527a_100000212058_100000725509 [0,1,0,0,0,0|1,0,2]=4 2309 B11R0.11 C#CCNC(=O)C(O)CCCC 240690a_100000212058_100000720857 [0,1,0,0,0,0|1,0,2]=4 2310 B11R0.11 C#CCNC(=O)C(O)CCCC 527a_100000212058_100000720857 [0,1,0,0,0,0|1,0,2]=4 2311 B11R0.11 C#CCNC(C)C(=O)OCCC 34a_100000212058_100000760410 [0,1,0,0,0,0|1,0,2]=4 2312 B11R0.11 C#CCOC(C)C(=O)OCCC 34a_100000037348_100000184674 [0,1,0,0,0,0|1,0,2]=4 2313 B11R0.11 C#CCOC(C)C(=O)OCCC 34a_100000210247_100000760410 [0,1,0,0,0,0|1,0,2]=4 2314 B11R0.11 C#CCOC(C)C(=O)OCCC 7a_100000037348_100000038162 [0,1,0,0,0,0|1,0,2]=4 2315 B11R0.11 C#CCSC(C)C(=O)OCCC 62a_100000038162_100000760410 [0,1,0,0,0,0|1,0,2]=4 2316 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [0,1,0,0,0,0|1,0,2]=4 2317 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [0,1,0,0,0,0|1,0,2]=4 2318 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [0,1,0,0,0,0|1,0,2]=4 2319 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [0,1,0,0,0,0|1,0,2]=4 2320 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [0,1,0,0,0,0|1,0,2]=4 2321 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [0,1,0,0,0,0|1,0,2]=4 2322 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [0,1,0,0,0,0|1,0,2]=4 2323 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [0,1,0,0,0,0|1,0,2]=4 2324 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [0,1,0,0,0,0|1,0,2]=4 2325 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [0,1,0,0,0,0|1,0,2]=4 2326 B11R0.11 C=CCNC(C)C(=O)OCCC 2230a_100020586998_100000760410 [0,1,0,0,0,0|1,0,2]=4 2327 B11R0.11 C=CCOC(C)C(=O)OCCC 34a_100000037348_100015514636 [0,1,0,0,0,0|1,0,2]=4 2328 B11R0.11 C=CCOC(C)C(=O)OCCC 34a_200000210373_100000760410 [0,1,0,0,0,0|1,0,2]=4 2329 B11R0.11 C=CCOC(C)C(=O)OCCC 7a_100000037348_100015514636 [0,1,0,0,0,0|1,0,2]=4 2330 B11R0.11 C=CCSC(C)C(=O)OCCC 62a_100000210623_100000760410 [0,1,0,0,0,0|1,0,2]=4 2331 B11R0.11 C=CCSC(C)C(=O)OCCC 62a_100000760410_100000210623 [0,1,0,0,0,0|1,0,2]=4 2332 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [0,1,0,0,0,0|1,0,2]=4 2333 B11R0.11 CC#CCC(=O)C(O)CCCC 1458a_100000720857_100000748600 [0,1,0,0,0,0|1,0,2]=4 2334 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [0,1,0,0,0,0|1,0,2]=4 2335 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [0,1,0,0,0,0|1,0,2]=4 2336 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [0,1,0,0,0,0|1,0,2]=4 2337 B11R0.11 CCC#CC(=O)C(C)CCCC 1458a_100011827653_200011215066 [0,1,0,0,0,0|1,0,1]=3 2338 B11R0.11 CCC/C=C(\C)/C(=O)CCCC 1458a_200020648666_100000210211 [0,1,0,0,0,0|1,0,2]=4 2339 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 11a_100020643023_200020648666 [0,1,0,0,0,0|1,0,2]=4 2340 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 1626a_100020643023_200020648666 [0,1,0,0,0,0|1,0,2]=4 2341 B11R0.11 CCC/C=C(\C)/C(=O)NCCC 240690a_100020643023_200020648666 [0,1,0,0,0,0|1,0,2]=4 2342 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [0,1,0,0,0,0|1,0,1]=3 2343 B11R0.11 CCC=CC(=O)N(C)CCCC 11a_100000207549_100000212282 [0,1,0,0,0,0|2,0,1]=4 2344 B11R0.11 CCC=CC(=O)N(C)CCCC 1626a_100000207549_100000212282 [0,1,0,0,0,0|2,0,1]=4 2345 B11R0.11 CCC=CC(=O)N(C)CCCC 240690a_100000207549_100000212282 [0,1,0,0,0,0|2,0,1]=4 2346 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [0,1,0,0,0,0|1,0,1]=3 2347 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,1,0,0,0,0|1,0,0]=2 2348 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,1,0,0,0,0|1,0,0]=2 2349 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,1,0,0,0,0|1,0,0]=2 2350 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [0,1,0,0,0,0|2,0,0]=3 2351 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [0,1,0,0,0,0|2,0,0]=3 2352 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [0,1,0,0,0,0|2,0,0]=3 2353 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [0,1,0,0,0,0|2,0,0]=3 2354 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [0,1,0,0,0,0|2,0,0]=3 2355 B11R0.11 CCCCC(=O)N(C)CCCO 240690a_100000213112_100000210183 [0,1,0,0,0,0|3,0,0]=4 2356 B11R0.11 CCCCC(=O)N(C)CCCO 527a_100000213112_100000210183 [0,1,0,0,0,0|3,0,0]=4 2357 B11R0.11 CCCCC(=O)N(C)CCOC 11a_100000743101_100000210183 [0,1,0,0,0,0|3,0,0]=4 2358 B11R0.11 CCCCC(=O)N(C)CCOC 1626a_100000743101_100000210183 [0,1,0,0,0,0|3,0,0]=4 2359 B11R0.11 CCCCC(=O)N(C)CCOC 240690a_100000743101_100000210183 [0,1,0,0,0,0|3,0,0]=4 2360 B11R0.11 CCCCC(=O)N(C)CCOC 527a_100000743101_100000210183 [0,1,0,0,0,0|3,0,0]=4 2361 B11R0.11 CCCCC(=O)N(C)CCSC 11a_100000686725_100000210183 [0,1,0,0,0,0|3,0,0]=4 2362 B11R0.11 CCCCC(=O)N(C)CCSC 1626a_100000686725_100000210183 [0,1,0,0,0,0|3,0,0]=4 2363 B11R0.11 CCCCC(=O)N(C)CCSC 240690a_100000686725_100000210183 [0,1,0,0,0,0|3,0,0]=4 2364 B11R0.11 CCCCC(=O)N(C)CCSC 527a_100000686725_100000210183 [0,1,0,0,0,0|3,0,0]=4 2365 B11R0.11 CCCCC(C)C(=O)C#CCO 1458a_100000049017_200011215066 [0,1,0,0,0,0|2,0,1]=4 2366 B11R0.11 CCCCC(C)C(=O)C=COC 1458a_100016268678_200011215066 [0,1,0,0,0,0|2,0,1]=4 2367 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [0,1,0,0,0,0|2,0,1]=4 2368 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [0,1,0,0,0,0|2,0,1]=4 2369 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,1,0,0,0,0|2,0,0]=3 2370 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,1,0,0,0,0|2,0,0]=3 2371 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,1,0,0,0,0|2,0,0]=3 2372 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,1,0,0,0,0|2,0,0]=3 2373 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,1,0,0,0,0|2,0,0]=3 2374 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,1,0,0,0,0|2,0,0]=3 2375 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,1,0,0,0,0|2,0,0]=3 2376 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [0,1,0,0,0,0|2,0,0]=3 2377 B11R0.11 CCCCC(C)C(=O)NCC#N 1626a_100000734998_100000725509 [0,1,0,0,0,0|2,0,1]=4 2378 B11R0.11 CCCCC(C)C(=O)NCC#N 527a_100000734998_100000725509 [0,1,0,0,0,0|2,0,1]=4 2379 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,1,0,0,0,0|1,0,0]=2 2380 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,1,0,0,0,0|1,0,0]=2 2381 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,1,0,0,0,0|1,0,0]=2 2382 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,1,0,0,0,0|1,0,0]=2 2383 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [0,1,0,0,0,0|2,0,0]=3 2384 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [0,1,0,0,0,0|2,0,0]=3 2385 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [0,1,0,0,0,0|2,0,0]=3 2386 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [0,1,0,0,0,0|2,0,0]=3 2387 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,1,0,0,0,0|2,0,0]=3 2388 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,1,0,0,0,0|2,0,0]=3 2389 B11R0.11 CCCCC(C)C(=O)NNCC 22a_100000756455_100000725509 [0,1,0,0,0,0|2,0,0]=3 2390 B11R0.11 CCCCC(C)N(C)CCCC 2230a_100000207549_200011215066 [0,1,0,0,0,0|3,0,0]=4 2391 B11R0.11 CCCCC(C)N(C)CCCC 269982a_100000207549_200011215066 [0,1,0,0,0,0|3,0,0]=4 2392 B11R0.11 CCCCC(C)N(C)CCCC 270004a_100000207549_100000210087 [0,1,0,0,0,0|3,0,0]=4 2393 B11R0.11 CCCCC(O)C(=O)CCC#N 1458a_100000720857_100011215226 [0,1,0,0,0,0|2,0,1]=4 2394 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,1,0,0,0,0|2,0,0]=3 2395 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,1,0,0,0,0|2,0,0]=3 2396 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,1,0,0,0,0|2,0,0]=3 2397 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,1,0,0,0,0|2,0,0]=3 2398 B11R0.11 CCCCC(O)C(=O)NCC#N 527a_100000734998_100000720857 [0,1,0,0,0,0|2,0,1]=4 2399 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,1,0,0,0,0|1,0,0]=2 2400 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,1,0,0,0,0|1,0,0]=2 2401 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [0,1,0,0,0,0|2,0,0]=3 2402 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [0,1,0,0,0,0|2,0,0]=3 2403 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,1,0,0,0,0|2,0,0]=3 2404 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,1,0,0,0,0|2,0,0]=3 2405 B11R0.11 CCCCC(O)C(=O)NNCC 22a_100000756455_100000720857 [0,1,0,0,0,0|2,0,0]=3 2406 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [0,1,0,0,0,0|3,0,0]=4 2407 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [0,1,0,0,0,0|3,0,0]=4 2408 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [0,1,0,0,0,0|3,0,0]=4 2409 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [0,1,0,0,0,0|3,0,0]=4 2410 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [0,1,0,0,0,0|3,0,0]=4 2411 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [0,1,0,0,0,0|3,0,0]=4 2412 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [0,1,0,0,0,0|3,0,0]=4 2413 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [0,1,0,0,0,0|3,0,0]=4 2414 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [0,1,0,0,0,0|3,0,0]=4 2415 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [0,1,0,0,0,0|3,0,0]=4 2416 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [0,1,0,0,0,0|3,0,0]=4 2417 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [0,1,0,0,0,0|3,0,0]=4 2418 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [0,1,0,0,0,0|3,0,0]=4 2419 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [0,1,0,0,0,0|3,0,0]=4 2420 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [0,1,0,0,0,0|3,0,0]=4 2421 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [0,1,0,0,0,0|3,0,0]=4 2422 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [0,1,0,0,0,0|3,0,0]=4 2423 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [0,1,0,0,0,0|3,0,0]=4 2424 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [0,1,0,0,0,0|3,0,0]=4 2425 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [0,1,0,0,0,0|3,0,0]=4 2426 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [0,1,0,0,0,0|2,0,0]=3 2427 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [0,1,0,0,0,0|2,0,0]=3 2428 B11R0.11 CCCCN(C)C(=O)NCCF 273464a_100000724931_100000207549 [0,1,0,0,0,0|3,0,0]=4 2429 B11R0.11 CCCCN(C)C(=O)NCCO 273464a_100000210304_100000207549 [0,1,0,0,0,0|3,0,0]=4 2430 B11R0.11 CCCNC(=O)C(=O)CCCF 1458a_200011297150_100011934791 [0,1,0,0,0,0|2,0,1]=4 2431 B11R0.11 CCCNC(=O)C(=O)CCCO 1458a_200011297150_100011215043 [0,1,0,0,0,0|2,0,1]=4 2432 B11R0.11 CCCNC(=O)C(=O)CCOC 1458a_200011297150_100000233755 [0,1,0,0,0,0|2,0,1]=4 2433 B11R0.11 CCCNC(=O)C(=O)CCSC 1458a_200011297150_100000751147 [0,1,0,0,0,0|2,0,1]=4 2434 B11R0.11 CCCNC(=O)C(=O)NCCC 1626a_100020643023_200011297150 [0,1,0,0,0,0|2,0,1]=4 2435 B11R0.11 CCCNC(=O)C(=O)NCCC 240690a_100020643023_200011297150 [0,1,0,0,0,0|2,0,1]=4 2436 B11R0.11 CCCNC(=O)C(=O)NCCC 527a_100020643023_200011297150 [0,1,0,0,0,0|2,0,1]=4 2437 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [0,1,0,0,0,0|2,0,0]=3 2438 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [0,1,0,0,0,0|2,0,0]=3 2439 B11R0.11 CCCNC(=O)C(C)NCCF 2230a_100025744714_100011217306 [0,1,0,0,0,0|3,0,0]=4 2440 B11R0.11 CCCNC(=O)C(C)NCCF 34a_100000724931_100000230305 [0,1,0,0,0,0|3,0,0]=4 2441 B11R0.11 CCCNC(=O)C(C)NCCF 34a_100025744714_100011217306 [0,1,0,0,0,0|3,0,0]=4 2442 B11R0.11 CCCNC(=O)C(C)NCCO 2230a_100016997473_100000230305 [0,1,0,0,0,0|3,0,0]=4 2443 B11R0.11 CCCNC(=O)C(C)NCCO 2230a_100025744714_100000211926 [0,1,0,0,0,0|3,0,0]=4 2444 B11R0.11 CCCNC(=O)C(C)NCCO 34a_100016990907_100000230305 [0,1,0,0,0,0|3,0,0]=4 2445 B11R0.11 CCCNC(=O)C(C)NCCO 34a_100025744714_100000211926 [0,1,0,0,0,0|3,0,0]=4 2446 B11R0.11 CCCNC(=O)C(C)NCOC 2230a_100025744714_100000766300 [0,1,0,0,0,0|3,0,0]=4 2447 B11R0.11 CCCNC(=O)C(C)NCSC 2230a_100025744714_100011218213 [0,1,0,0,0,0|3,0,0]=4 2448 B11R0.11 CCCNC(=O)C(C)NCSC 34a_100025744714_100011218213 [0,1,0,0,0,0|3,0,0]=4 2449 B11R0.11 CCCNC(=O)C(C)OCCBr 34a_100000211926_100000230305 [0,1,0,0,0,0|3,0,0]=4 2450 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [0,1,0,0,0,0|2,0,0]=3 2451 B11R0.11 CCCNC(=O)C(C)OCCN 34a_100000210304_100000230305 [0,1,0,0,0,0|3,0,0]=4 2452 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [0,1,0,0,0,0|2,0,0]=3 2453 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [0,1,0,0,0,0|2,0,0]=3 2454 B11R0.11 CCCNC(=O)C(C)SCCF 62a_100000230305_100011217306 [0,1,0,0,0,0|3,0,0]=4 2455 B11R0.11 CCCNC(=O)C(C)SCCF 62a_100011217306_100000230305 [0,1,0,0,0,0|3,0,0]=4 2456 B11R0.11 CCCNC(=O)C(C)SCCO 62a_100000211926_100000230305 [0,1,0,0,0,0|3,0,0]=4 2457 B11R0.11 CCCNC(=O)C(C)SCCO 62a_100000230305_100000211926 [0,1,0,0,0,0|3,0,0]=4 2458 B11R0.11 CCCNC(=O)C(C)SCOC 62a_100000230305_100000766300 [0,1,0,0,0,0|3,0,0]=4 2459 B11R0.11 CCCNC(=O)C(C)SCOC 62a_100000766300_100000230305 [0,1,0,0,0,0|3,0,0]=4 2460 B11R0.11 CCCNC(=O)C(C)SCSC 62a_100000230305_100011218213 [0,1,0,0,0,0|3,0,0]=4 2461 B11R0.11 CCCNC(=O)C(C)SCSC 62a_100011218213_100000230305 [0,1,0,0,0,0|3,0,0]=4 2462 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [0,1,0,0,0,0|2,0,0]=3 2463 B11R0.11 CCCNC(=O)N(C)CCCO 2708a_100020643023_100000213112 [0,1,0,0,0,0|3,0,0]=4 2464 B11R0.11 CCCNC(=O)N(C)CCCO 273464a_100020643023_100000213112 [0,1,0,0,0,0|3,0,0]=4 2465 B11R0.11 CCCNC(=O)N(C)CCOC 2708a_100020643023_100000743101 [0,1,0,0,0,0|3,0,0]=4 2466 B11R0.11 CCCNC(=O)N(C)CCOC 273464a_100020643023_100000743101 [0,1,0,0,0,0|3,0,0]=4 2467 B11R0.11 CCCNC(=O)N(C)CCSC 2708a_100020643023_100000686725 [0,1,0,0,0,0|3,0,0]=4 2468 B11R0.11 CCCNC(=O)N(C)CCSC 273464a_100020643023_100000686725 [0,1,0,0,0,0|3,0,0]=4 2469 B11R0.11 CCCOC(=O)C(=NNCC)C 4a_100000756455_100010632825 [0,1,0,0,0,0|2,0,1]=4 2470 B11R0.11 CCCOC(=O)C(C)NCCF 34a_100000724931_100000760410 [0,1,0,0,0,0|2,0,0]=3 2471 B11R0.11 CCCOC(=O)C(C)NCCO 2230a_100016997473_100000760410 [0,1,0,0,0,0|2,0,0]=3 2472 B11R0.11 CCCOC(=O)C(C)NCCO 34a_100016990907_100000760410 [0,1,0,0,0,0|2,0,0]=3 2473 B11R0.11 CCCOC(=O)C(C)OCC#N 7a_100000037348_100011215382 [0,1,0,0,0,0|2,0,1]=4 2474 B11R0.11 CCCOC(=O)C(C)OCC=O 34a_100000037348_200009817547 [0,1,0,0,0,0|2,0,1]=4 2475 B11R0.11 CCCOC(=O)C(C)OCC=O 7a_100000037348_200015260668 [0,1,0,0,0,0|2,0,1]=4 2476 B11R0.11 CCCOC(=O)C(C)OCCBr 34a_100000211926_100000760410 [0,1,0,0,0,0|2,0,0]=3 2477 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,1,0,0,0,0|1,0,0]=2 2478 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,1,0,0,0,0|1,0,0]=2 2479 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,1,0,0,0,0|1,0,0]=2 2480 B11R0.11 CCCOC(=O)C(C)OCCF 34a_100000037348_100011217306 [0,1,0,0,0,0|2,0,0]=3 2481 B11R0.11 CCCOC(=O)C(C)OCCF 7a_100000037348_100011217306 [0,1,0,0,0,0|2,0,0]=3 2482 B11R0.11 CCCOC(=O)C(C)OCCN 34a_100000210304_100000760410 [0,1,0,0,0,0|2,0,0]=3 2483 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [0,1,0,0,0,0|2,0,0]=3 2484 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [0,1,0,0,0,0|2,0,0]=3 2485 B11R0.11 CCCOC(=O)C(C)OCSC 34a_100000037348_100011218213 [0,1,0,0,0,0|2,0,0]=3 2486 B11R0.11 CCCOC(=O)C(C)SCC#N 62a_100000760410_100011215382 [0,1,0,0,0,0|2,0,1]=4 2487 B11R0.11 CCCOC(=O)C(C)SCC#N 62a_100011215382_100000760410 [0,1,0,0,0,0|2,0,1]=4 2488 B11R0.11 CCCOC(=O)C(C)SCC=O 62a_100000760410_200015260668 [0,1,0,0,0,0|2,0,1]=4 2489 B11R0.11 CCCOC(=O)C(C)SCC=O 62a_200015260668_100000760410 [0,1,0,0,0,0|2,0,1]=4 2490 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,1,0,0,0,0|1,0,0]=2 2491 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,1,0,0,0,0|1,0,0]=2 2492 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100000760410_100011217306 [0,1,0,0,0,0|2,0,0]=3 2493 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100011217306_100000760410 [0,1,0,0,0,0|2,0,0]=3 2494 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000211926_100000760410 [0,1,0,0,0,0|2,0,0]=3 2495 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000760410_100000211926 [0,1,0,0,0,0|2,0,0]=3 2496 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000760410_100000766300 [0,1,0,0,0,0|2,0,0]=3 2497 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000766300_100000760410 [0,1,0,0,0,0|2,0,0]=3 2498 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100000760410_100011218213 [0,1,0,0,0,0|2,0,0]=3 2499 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100011218213_100000760410 [0,1,0,0,0,0|2,0,0]=3 2500 B11R0.11 CCNNC(=O)C(O)CCSC 22a_100000756455_100000685904 [0,1,0,0,0,0|3,0,0]=4 2501 B11R0.11 COCCC(=O)C(O)CCSC 1458a_100000685904_100000233755 [0,1,0,0,0,0|3,0,0]=4 2502 B11R0.11 CSCCC(=O)C(O)CCSC 1458a_100000685904_100000751147 [0,1,0,0,0,0|3,0,0]=4 2503 B11R0.11 CSCCC(O)C(=O)CCCF 1458a_100000685904_100011934791 [0,1,0,0,0,0|3,0,0]=4 2504 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,1,0,0,0,0|3,0,0]=4 2505 B11R0.11 CSCCC(O)C(=O)NCCF 240690a_100000724931_100000685904 [0,1,0,0,0,0|3,0,0]=4 2506 B11R0.11 CSCCC(O)C(=O)NCCO 240690a_100000210304_100000685904 [0,1,0,0,0,0|3,0,0]=4 2507 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000181311_100000731252 [0,1,0,0,0,0|1,0,2]=4 2508 B11R0.46 C#CCCCC(=O)CCC(C)C 1458a_100000690238_100000210312 [0,1,0,0,0,0|1,0,2]=4 2509 B11R0.46 C#CCCCC(=O)CCC(C)O 1458a_100000690238_100012276601 [0,1,0,0,0,0|1,0,2]=4 2510 B11R0.46 C#CCCCC(=O)NCC(C)C 11a_100000210953_100000690238 [0,1,0,0,0,0|1,0,2]=4 2511 B11R0.46 C#CCCCC(=O)NCC(C)C 1626a_100000210953_100000690238 [0,1,0,0,0,0|1,0,2]=4 2512 B11R0.46 C#CCCCC(=O)NCC(C)C 240690a_100000210953_100000690238 [0,1,0,0,0,0|1,0,2]=4 2513 B11R0.46 C#CCCCC(=O)NCC(C)C 527a_100000210953_100000690238 [0,1,0,0,0,0|1,0,2]=4 2514 B11R0.46 C#CCCCC(=O)NCC(C)O 11a_100000210904_100000690238 [0,1,0,0,0,0|1,0,2]=4 2515 B11R0.46 C#CCCCC(=O)NCC(C)O 240690a_100000210904_100000690238 [0,1,0,0,0,0|1,0,2]=4 2516 B11R0.46 C#CCCCC(=O)NCC(C)O 527a_100000210904_100000690238 [0,1,0,0,0,0|1,0,2]=4 2517 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,1,0,0,0,0|1,0,1]=3 2518 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,1,0,0,0,0|1,0,1]=3 2519 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,1,0,0,0,0|2,0,1]=4 2520 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,1,0,0,0,0|2,0,1]=4 2521 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,1,0,0,0,0|2,0,1]=4 2522 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,1,0,0,0,0|2,0,1]=4 2523 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,1,0,0,0,0|2,0,1]=4 2524 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,1,0,0,0,0|2,0,1]=4 2525 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,1,0,0,0,0|2,0,1]=4 2526 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,1,0,0,0,0|2,0,1]=4 2527 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,1,0,0,0,0|2,0,1]=4 2528 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,1,0,0,0,0|2,0,1]=4 2529 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,1,0,0,0,0|2,0,1]=4 2530 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,1,0,0,0,0|2,0,1]=4 2531 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,1,0,0,0,0|2,0,1]=4 2532 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,1,0,0,0,0|2,0,1]=4 2533 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,1,0,0,0,0|2,0,1]=4 2534 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,1,0,0,0,0|2,0,1]=4 2535 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,1,0,0,0,0|1,0,1]=3 2536 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,1,0,0,0,0|1,0,1]=3 2537 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,1,0,0,0,0|1,0,1]=3 2538 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,1,0,0,0,0|1,0,1]=3 2539 B11R0.46 C=C(C)CNC(=O)CCCCO 1626a_100000765925_100000695505 [0,1,0,0,0,0|2,0,1]=4 2540 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [0,1,0,0,0,0|2,0,1]=4 2541 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [0,1,0,0,0,0|2,0,1]=4 2542 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [0,1,0,0,0,0|2,0,1]=4 2543 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [0,1,0,0,0,0|2,0,1]=4 2544 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [0,1,0,0,0,0|2,0,1]=4 2545 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [0,1,0,0,0,0|2,0,1]=4 2546 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [0,1,0,0,0,0|2,0,1]=4 2547 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [0,1,0,0,0,0|2,0,1]=4 2548 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [0,1,0,0,0,0|2,0,1]=4 2549 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [0,1,0,0,0,0|2,0,1]=4 2550 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [0,1,0,0,0,0|2,0,1]=4 2551 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [0,1,0,0,0,0|2,0,1]=4 2552 B11R0.46 C=C(C)CNC(=O)CCSCC 11a_100000765925_100000230768 [0,1,0,0,0,0|2,0,1]=4 2553 B11R0.46 C=C(C)CNC(=O)CCSCC 1626a_100000765925_100000230768 [0,1,0,0,0,0|2,0,1]=4 2554 B11R0.46 C=C(C)CNC(=O)CCSCC 240690a_100000765925_100000230768 [0,1,0,0,0,0|2,0,1]=4 2555 B11R0.46 C=C(C)CNC(=O)CCSCC 527a_100000765925_100000230768 [0,1,0,0,0,0|2,0,1]=4 2556 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [0,1,0,0,0,0|2,0,1]=4 2557 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [0,1,0,0,0,0|2,0,1]=4 2558 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [0,1,0,0,0,0|2,0,1]=4 2559 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [0,1,0,0,0,0|2,0,1]=4 2560 B11R0.46 C=C(C)CNC(=O)CSCCC 11a_100000765925_100000217233 [0,1,0,0,0,0|2,0,1]=4 2561 B11R0.46 C=C(C)CNC(=O)CSCCC 1626a_100000765925_100000217233 [0,1,0,0,0,0|2,0,1]=4 2562 B11R0.46 C=C(C)CNC(=O)CSCCC 240690a_100000765925_100000217233 [0,1,0,0,0,0|2,0,1]=4 2563 B11R0.46 C=C(C)CNC(=O)CSCCC 527a_100000765925_100000217233 [0,1,0,0,0,0|2,0,1]=4 2564 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [0,1,0,0,0,0|2,0,1]=4 2565 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [0,1,0,0,0,0|2,0,1]=4 2566 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [0,1,0,0,0,0|2,0,1]=4 2567 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [0,1,0,0,0,0|2,0,1]=4 2568 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [0,1,0,0,0,0|2,0,1]=4 2569 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [0,1,0,0,0,0|2,0,1]=4 2570 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,1,0,0,0,0|1,0,2]=4 2571 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,1,0,0,0,0|1,0,2]=4 2572 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,1,0,0,0,0|1,0,2]=4 2573 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000181311_100000757094 [0,1,0,0,0,0|1,0,2]=4 2574 B11R0.46 C=CCCCC(=O)CCC(C)C 1458a_100000766728_100000210312 [0,1,0,0,0,0|1,0,2]=4 2575 B11R0.46 C=CCCCC(=O)CCC(C)O 1458a_100000766728_100012276601 [0,1,0,0,0,0|1,0,2]=4 2576 B11R0.46 C=CCCCC(=O)NCC(C)C 11a_100000210953_100000766728 [0,1,0,0,0,0|1,0,2]=4 2577 B11R0.46 C=CCCCC(=O)NCC(C)C 1626a_100000210953_100000766728 [0,1,0,0,0,0|1,0,2]=4 2578 B11R0.46 C=CCCCC(=O)NCC(C)C 240690a_100000210953_100000766728 [0,1,0,0,0,0|1,0,2]=4 2579 B11R0.46 C=CCCCC(=O)NCC(C)C 527a_100000210953_100000766728 [0,1,0,0,0,0|1,0,2]=4 2580 B11R0.46 C=CCCCC(=O)NCC(C)O 11a_100000210904_100000766728 [0,1,0,0,0,0|1,0,2]=4 2581 B11R0.46 C=CCCCC(=O)NCC(C)O 240690a_100000210904_100000766728 [0,1,0,0,0,0|1,0,2]=4 2582 B11R0.46 C=CCCCC(=O)NCC(C)O 527a_100000210904_100000766728 [0,1,0,0,0,0|1,0,2]=4 2583 B11R0.46 CC(C)C=CC(=O)CCCCF 1458a_100016268746_100000729493 [0,1,0,0,0,0|2,0,1]=4 2584 B11R0.46 CC(C)C=CC(=O)CCCCO 1458a_100016268746_100000210776 [0,1,0,0,0,0|2,0,1]=4 2585 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000075515_100000210312 [0,1,0,0,0,0|2,0,1]=4 2586 B11R0.46 CC(C)CCC(=O)CCCC#N 1458a_100000181311_100000211468 [0,1,0,0,0,0|2,0,1]=4 2587 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,1,0,0,0,0|2,0,0]=3 2588 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,1,0,0,0,0|2,0,0]=3 2589 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,1,0,0,0,0|2,0,0]=3 2590 B11R0.46 CC(C)CCC(=O)COCCO 1458a_100000708028_100000210312 [0,1,0,0,0,0|3,0,0]=4 2591 B11R0.46 CC(C)CCC(=O)NCCCF 11a_100015189416_100000181311 [0,1,0,0,0,0|3,0,0]=4 2592 B11R0.46 CC(C)CCC(=O)NCCCF 1626a_100015189416_100000181311 [0,1,0,0,0,0|3,0,0]=4 2593 B11R0.46 CC(C)CCC(=O)NCCCF 240690a_100015189416_100000181311 [0,1,0,0,0,0|3,0,0]=4 2594 B11R0.46 CC(C)CCC(=O)NCCCF 527a_100015189416_100000181311 [0,1,0,0,0,0|3,0,0]=4 2595 B11R0.46 CC(C)CCC(=O)NCCCO 240690a_100000182051_100000181311 [0,1,0,0,0,0|3,0,0]=4 2596 B11R0.46 CC(C)CCC(=O)NCCCO 527a_100000182051_100000181311 [0,1,0,0,0,0|3,0,0]=4 2597 B11R0.46 CC(C)CNC(=O)CCCC#N 11a_100000210953_100000075515 [0,1,0,0,0,0|2,0,1]=4 2598 B11R0.46 CC(C)CNC(=O)CCCC#N 1626a_100000210953_100000075515 [0,1,0,0,0,0|2,0,1]=4 2599 B11R0.46 CC(C)CNC(=O)CCCC#N 240690a_100000210953_100000075515 [0,1,0,0,0,0|2,0,1]=4 2600 B11R0.46 CC(C)CNC(=O)CCCC#N 527a_100000210953_100000075515 [0,1,0,0,0,0|2,0,1]=4 2601 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [0,1,0,0,0,0|2,0,0]=3 2602 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [0,1,0,0,0,0|2,0,0]=3 2603 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [0,1,0,0,0,0|2,0,0]=3 2604 B11R0.46 CC(C)CNC(=O)CNCCF 34a_100000724931_100000183291 [0,1,0,0,0,0|3,0,0]=4 2605 B11R0.46 CC(C)CNC(=O)CNCCO 2230a_100016997473_100000183291 [0,1,0,0,0,0|3,0,0]=4 2606 B11R0.46 CC(C)CNC(=O)CNCCO 34a_100016990907_100000183291 [0,1,0,0,0,0|3,0,0]=4 2607 B11R0.46 CC(C)CNC(=O)COCCBr 34a_100000211926_100000183291 [0,1,0,0,0,0|3,0,0]=4 2608 B11R0.46 CC(C)CNC(=O)COCCN 34a_100000210304_100000183291 [0,1,0,0,0,0|3,0,0]=4 2609 B11R0.46 CC(C)CNC(=O)COCCO 1626a_100000210953_100000708028 [0,1,0,0,0,0|3,0,0]=4 2610 B11R0.46 CC(C)CNC(=O)COCCO 240690a_100000210953_100000708028 [0,1,0,0,0,0|3,0,0]=4 2611 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100000183291_100011217306 [0,1,0,0,0,0|3,0,0]=4 2612 B11R0.46 CC(C)CNC(=O)CSCCF 62a_100011217306_100000183291 [0,1,0,0,0,0|3,0,0]=4 2613 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000183291_100000211926 [0,1,0,0,0,0|3,0,0]=4 2614 B11R0.46 CC(C)CNC(=O)CSCCO 62a_100000211926_100000183291 [0,1,0,0,0,0|3,0,0]=4 2615 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100000210953_100015189416 [0,1,0,0,0,0|3,0,0]=4 2616 B11R0.46 CC(C)CNC(=O)NCCCF 2708a_100015189416_100000210953 [0,1,0,0,0,0|3,0,0]=4 2617 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100000210953_100015189416 [0,1,0,0,0,0|3,0,0]=4 2618 B11R0.46 CC(C)CNC(=O)NCCCF 273464a_100015189416_100000210953 [0,1,0,0,0,0|3,0,0]=4 2619 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100000210953_100015189416 [0,1,0,0,0,0|3,0,0]=4 2620 B11R0.46 CC(C)CNC(=O)NCCCF 512a_100015189416_100000210953 [0,1,0,0,0,0|3,0,0]=4 2621 B11R0.46 CC(C)CNC(=O)NCCCO 2708a_100000210953_100000182051 [0,1,0,0,0,0|3,0,0]=4 2622 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000182051_100000210953 [0,1,0,0,0,0|3,0,0]=4 2623 B11R0.46 CC(C)CNC(=O)NCCCO 273464a_100000210953_100000182051 [0,1,0,0,0,0|3,0,0]=4 2624 B11R0.46 CC(C)CNC(=O)NCCCO 512a_100000210953_100000182051 [0,1,0,0,0,0|3,0,0]=4 2625 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [0,1,0,0,0,0|3,0,0]=4 2626 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,1,0,0,0,0|3,0,0]=4 2627 B11R0.46 CC(C)SCC(=O)CCCCF 1458a_100000241585_100000729493 [0,1,0,0,0,0|3,0,0]=4 2628 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [0,1,0,0,0,0|3,0,0]=4 2629 B11R0.46 CC(O)CCC(=O)CCCC#N 1458a_100000075515_100012276601 [0,1,0,0,0,0|2,0,1]=4 2630 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,1,0,0,0,0|2,0,0]=3 2631 B11R0.46 CC(O)CCC(=O)COCCO 1458a_100000708028_100012276601 [0,1,0,0,0,0|3,0,0]=4 2632 B11R0.46 CC(O)CCC(=O)NCCCF 1626a_100015189416_100000718519 [0,1,0,0,0,0|3,0,0]=4 2633 B11R0.46 CC(O)CNC(=O)CCCC#N 11a_100000210904_100000075515 [0,1,0,0,0,0|2,0,1]=4 2634 B11R0.46 CC(O)CNC(=O)CCCC#N 240690a_100000210904_100000075515 [0,1,0,0,0,0|2,0,1]=4 2635 B11R0.46 CC(O)CNC(=O)CCCC#N 527a_100000210904_100000075515 [0,1,0,0,0,0|2,0,1]=4 2636 B11R0.46 CC(O)CNC(=O)COCCO 240690a_100000210904_100000708028 [0,1,0,0,0,0|3,0,0]=4 2637 B11R0.46 CC(O)CNC(=O)NCCCF 2708a_100015189416_100000210904 [0,1,0,0,0,0|3,0,0]=4 2638 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100000210904_100015189416 [0,1,0,0,0,0|3,0,0]=4 2639 B11R0.46 CC(O)CNC(=O)NCCCF 273464a_100015189416_100000210904 [0,1,0,0,0,0|3,0,0]=4 2640 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100000210904_100015189416 [0,1,0,0,0,0|3,0,0]=4 2641 B11R0.46 CC(O)CNC(=O)NCCCF 512a_100015189416_100000210904 [0,1,0,0,0,0|3,0,0]=4 2642 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000182051_100000210904 [0,1,0,0,0,0|3,0,0]=4 2643 B11R0.46 CC(O)CNC(=O)NCCCO 273464a_100000210904_100000182051 [0,1,0,0,0,0|3,0,0]=4 2644 B11R0.46 CC(O)CNC(=O)NCCCO 512a_100000210904_100000182051 [0,1,0,0,0,0|3,0,0]=4 2645 B11R0.46 CC/C=C/CC(=O)CCC(C)C 1458a_100016274230_100000210312 [0,1,0,0,0,0|1,0,2]=4 2646 B11R0.46 CC/C=C/CC(=O)CCC(C)O 1458a_100016274230_100012276601 [0,1,0,0,0,0|1,0,2]=4 2647 B11R0.46 CC/C=C/CC(=O)NCC(C)C 11a_100000210953_100016274230 [0,1,0,0,0,0|1,0,2]=4 2648 B11R0.46 CC/C=C/CC(=O)NCC(C)C 1626a_100000210953_100016274230 [0,1,0,0,0,0|1,0,2]=4 2649 B11R0.46 CC/C=C/CC(=O)NCC(C)C 240690a_100000210953_100016274230 [0,1,0,0,0,0|1,0,2]=4 2650 B11R0.46 CC/C=C/CC(=O)NCC(C)C 527a_100000210953_100016274230 [0,1,0,0,0,0|1,0,2]=4 2651 B11R0.46 CC/C=C/CC(=O)NCC(C)O 11a_100000210904_100016274230 [0,1,0,0,0,0|1,0,2]=4 2652 B11R0.46 CC/C=C/CC(=O)NCC(C)O 240690a_100000210904_100016274230 [0,1,0,0,0,0|1,0,2]=4 2653 B11R0.46 CC/C=C/CC(=O)NCC(C)O 527a_100000210904_100016274230 [0,1,0,0,0,0|1,0,2]=4 2654 B11R0.46 CC/C=C\CC(=O)CCC(C)C 1458a_100000181311_100103147603 [0,1,0,0,0,0|1,0,2]=4 2655 B11R0.46 CCC#CCC(=O)CCC(C)C 1458a_100000181311_100009813939 [0,1,0,0,0,0|1,0,2]=4 2656 B11R0.46 CCCC#CC(=O)CCC(C)C 1458a_200011218047_100000210312 [0,1,0,0,0,0|1,0,2]=4 2657 B11R0.46 CCCC#CC(=O)CCC(C)O 1458a_200011218047_100012276601 [0,1,0,0,0,0|1,0,2]=4 2658 B11R0.46 CCCC#CC(=O)NCC(C)C 240690a_100000210953_200011218047 [0,1,0,0,0,0|1,0,2]=4 2659 B11R0.46 CCCC#CC(=O)NCC(C)O 240690a_100000210904_200011218047 [0,1,0,0,0,0|1,0,2]=4 2660 B11R0.46 CCCC=CC(=O)CCC(C)C 1458a_100000212230_100000210312 [0,1,0,0,0,0|1,0,2]=4 2661 B11R0.46 CCCC=CC(=O)CCC(C)O 1458a_100000212230_100012276601 [0,1,0,0,0,0|1,0,2]=4 2662 B11R0.46 CCCC=CC(=O)NCC(C)C 11a_100000210953_100000212230 [0,1,0,0,0,0|1,0,2]=4 2663 B11R0.46 CCCC=CC(=O)NCC(C)C 1626a_100000210953_100000212230 [0,1,0,0,0,0|1,0,2]=4 2664 B11R0.46 CCCC=CC(=O)NCC(C)C 240690a_100000210953_100000212230 [0,1,0,0,0,0|1,0,2]=4 2665 B11R0.46 CCCC=CC(=O)NCC(C)O 11a_100000210904_100000212230 [0,1,0,0,0,0|1,0,2]=4 2666 B11R0.46 CCCC=CC(=O)NCC(C)O 240690a_100000210904_100000212230 [0,1,0,0,0,0|1,0,2]=4 2667 B11R0.46 CCCCCC(=NNC(C)C)C 4a_100000741168_100000211708 [0,1,0,0,0,0|3,0,0]=4 2668 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,1,0,0,0,0|1,0,1]=3 2669 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,1,0,0,0,0|1,0,2]=4 2670 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,1,0,0,0,0|1,0,2]=4 2671 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,1,0,0,0,0|2,0,1]=4 2672 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,1,0,0,0,0|1,0,0]=2 2673 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,1,0,0,0,0|1,0,0]=2 2674 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,1,0,0,0,0|1,0,0]=2 2675 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,1,0,0,0,0|3,0,0]=4 2676 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,1,0,0,0,0|2,0,0]=3 2677 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,1,0,0,0,0|2,0,1]=4 2678 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,1,0,0,0,0|2,0,0]=3 2679 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,1,0,0,0,0|2,0,0]=3 2680 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,1,0,0,0,0|2,0,1]=4 2681 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,1,0,0,0,0|2,0,0]=3 2682 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,1,0,0,0,0|2,0,0]=3 2683 B11R0.46 CCCCCC(=O)COC(F)F 1458a_200000719455_100000210326 [0,1,0,0,0,0|3,0,0]=4 2684 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,1,0,0,0,0|2,0,1]=4 2685 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,1,0,0,0,0|2,0,0]=3 2686 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,1,0,0,0,0|2,0,0]=3 2687 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,1,0,0,0,0|2,0,0]=3 2688 B11R0.46 CCCCCC(=O)CSC(F)F 1458a_114828291038_100000210326 [0,1,0,0,0,0|3,0,0]=4 2689 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 2690 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 2691 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,1,0,0,0,0|2,0,1]=4 2692 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,1,0,0,0,0|1,0,0]=2 2693 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,1,0,0,0,0|1,0,0]=2 2694 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,1,0,0,0,0|1,0,0]=2 2695 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,1,0,0,0,0|1,0,0]=2 2696 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,1,0,0,0,0|1,0,0]=2 2697 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,1,0,0,0,0|1,0,0]=2 2698 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,1,0,0,0,0|1,0,0]=2 2699 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [0,1,0,0,0,0|2,0,0]=3 2700 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [0,1,0,0,0,0|2,0,0]=3 2701 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [0,1,0,0,0,0|2,0,0]=3 2702 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [0,1,0,0,0,0|2,0,0]=3 2703 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,1,0,0,0,0|2,0,1]=4 2704 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,1,0,0,0,0|2,0,1]=4 2705 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [0,1,0,0,0,0|2,0,0]=3 2706 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000210953_200011218191 [0,1,0,0,0,0|2,0,1]=4 2707 B11R0.46 CCCCCC(C)NCC(C)C 2230a_100000211957_100000210760 [0,1,0,0,0,0|2,0,1]=4 2708 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000210953_100000211708 [0,1,0,0,0,0|2,0,1]=4 2709 B11R0.46 CCCCCC(C)NCC(C)C 270004a_100000211957_100000210432 [0,1,0,0,0,0|2,0,1]=4 2710 B11R0.46 CCCCCC(C)NCC(C)C 34a_100000210953_200011218191 [0,1,0,0,0,0|2,0,1]=4 2711 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000210904_200011218191 [0,1,0,0,0,0|2,0,1]=4 2712 B11R0.46 CCCCCC(C)NCC(C)O 2230a_100000211957_100011218427 [0,1,0,0,0,0|2,0,1]=4 2713 B11R0.46 CCCCCC(C)NCC(C)O 270004a_100000210904_100000211708 [0,1,0,0,0,0|2,0,1]=4 2714 B11R0.46 CCCCCC(C)NCC(C)O 34a_100000210904_200011218191 [0,1,0,0,0,0|2,0,1]=4 2715 B11R0.46 CCCCCC(C)NC[C@@H](C)O 2230a_100000211957_100009817552 [0,1,0,0,0,0|2,0,1]=4 2716 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,1,0,0,0,0|1,0,2]=4 2717 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [0,1,0,0,0,0|1,0,1]=3 2718 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,1,0,0,0,0|1,0,1]=3 2719 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,1,0,0,0,0|1,0,1]=3 2720 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,1,0,0,0,0|1,0,1]=3 2721 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [0,1,0,0,0,0|1,0,1]=3 2722 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,1,0,0,0,0|1,0,1]=3 2723 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,1,0,0,0,0|1,0,1]=3 2724 B11R0.46 CCCCCC(C)OCC(F)F 34a_100000743014_200011218191 [0,1,0,0,0,0|2,0,1]=4 2725 B11R0.46 CCCCCC(C)OCC(F)F 34a_100011215632_100011934356 [0,1,0,0,0,0|2,0,1]=4 2726 B11R0.46 CCCCCC(C)OCC(F)F 7a_100011215632_100011934356 [0,1,0,0,0,0|2,0,1]=4 2727 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [0,1,0,0,0,0|1,0,1]=3 2728 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [0,1,0,0,0,0|1,0,1]=3 2729 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,1,0,0,0,0|1,0,1]=3 2730 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,1,0,0,0,0|1,0,1]=3 2731 B11R0.46 CCCCCC(C)SCC(C)C 62a_100000210624_200011218191 [0,1,0,0,0,0|1,1,1]=4 2732 B11R0.46 CCCCCC(C)SCC(C)C 62a_200011218191_100000210760 [0,1,0,0,0,0|1,1,1]=4 2733 B11R0.46 CCCCCC(C)SCC(C)O 62a_100011218427_200011218191 [0,1,0,0,0,0|1,1,1]=4 2734 B11R0.46 CCCCCC(C)SCC(C)O 62a_200011218191_100011218427 [0,1,0,0,0,0|1,1,1]=4 2735 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_100009817552_200011218191 [0,1,0,0,0,0|1,1,1]=4 2736 B11R0.46 CCCCCC(C)SC[C@@H](C)O 62a_200011218191_100009817552 [0,1,0,0,0,0|1,1,1]=4 2737 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000223495_100000210312 [0,1,0,0,0,0|3,0,0]=4 2738 B11R0.46 CCCCCN(C)CCC(C)C 2230a_100000742789_100000210326 [0,1,0,0,0,0|3,0,0]=4 2739 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000223495_100000210312 [0,1,0,0,0,0|3,0,0]=4 2740 B11R0.46 CCCCCN(C)CCC(C)C 269982a_100000742789_100000210215 [0,1,0,0,0,0|3,0,0]=4 2741 B11R0.46 CCCCCN(C)CCC(C)O 2230a_100000223495_100012276601 [0,1,0,0,0,0|3,0,0]=4 2742 B11R0.46 CCCCCN(C)CCC(C)O 269982a_100000223495_100012276601 [0,1,0,0,0,0|3,0,0]=4 2743 B11R0.46 CCCCNC(=O)C=CC(C)C 11a_100000102301_100016268746 [0,1,0,0,0,0|2,0,1]=4 2744 B11R0.46 CCCCNC(=O)C=CC(C)C 1626a_100000102301_100016268746 [0,1,0,0,0,0|2,0,1]=4 2745 B11R0.46 CCCCNC(=O)C=CC(C)C 240690a_100000102301_100016268746 [0,1,0,0,0,0|2,0,1]=4 2746 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,1,0,0,0,0|2,0,0]=3 2747 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,1,0,0,0,0|2,0,0]=3 2748 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,1,0,0,0,0|2,0,0]=3 2749 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,1,0,0,0,0|2,0,0]=3 2750 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,1,0,0,0,0|2,0,0]=3 2751 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [0,1,0,0,0,0|3,0,0]=4 2752 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [0,1,0,0,0,0|3,0,0]=4 2753 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [0,1,0,0,0,0|3,0,0]=4 2754 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [0,1,0,0,0,0|3,0,0]=4 2755 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [0,1,0,0,0,0|3,0,0]=4 2756 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [0,1,0,0,0,0|3,0,0]=4 2757 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,1,0,0,0,0|3,0,0]=4 2758 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,1,0,0,0,0|3,0,0]=4 2759 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,1,0,0,0,0|3,0,0]=4 2760 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,1,0,0,0,0|3,0,0]=4 2761 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,1,0,0,0,0|3,0,0]=4 2762 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,1,0,0,0,0|3,0,0]=4 2763 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,1,0,0,0,0|3,0,0]=4 2764 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,1,0,0,0,0|3,0,0]=4 2765 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,1,0,0,0,0|3,0,0]=4 2766 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,1,0,0,0,0|3,0,0]=4 2767 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,1,0,0,0,0|3,0,0]=4 2768 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,1,0,0,0,0|3,0,0]=4 2769 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,1,0,0,0,0|3,0,0]=4 2770 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,1,0,0,0,0|2,0,0]=3 2771 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,1,0,0,0,0|2,0,0]=3 2772 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,1,0,0,0,0|2,0,0]=3 2773 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,1,0,0,0,0|2,0,0]=3 2774 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,1,0,0,0,0|2,0,0]=3 2775 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,1,0,0,0,0|2,0,0]=3 2776 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,1,0,0,0,0|2,0,0]=3 2777 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,1,0,0,0,0|2,0,0]=3 2778 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,1,0,0,0,0|2,0,0]=3 2779 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,1,0,0,0,0|2,0,0]=3 2780 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,1,0,0,0,0|2,0,0]=3 2781 B11R0.46 CCCCNC(=O)NCC(F)F 2708a_100000102301_100000765723 [0,1,0,0,0,0|3,0,0]=4 2782 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000102301_100000765723 [0,1,0,0,0,0|3,0,0]=4 2783 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000765723_100000102301 [0,1,0,0,0,0|3,0,0]=4 2784 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000102301_100000765723 [0,1,0,0,0,0|3,0,0]=4 2785 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000765723_100000102301 [0,1,0,0,0,0|3,0,0]=4 2786 B11R0.46 CCCCNC(=O)NNC(C)C 273464a_100000102301_100000741168 [0,1,0,0,0,0|3,0,0]=4 2787 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000102301_100000741168 [0,1,0,0,0,0|3,0,0]=4 2788 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000741168_100000102301 [0,1,0,0,0,0|3,0,0]=4 2789 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,1,0,0,0,0|3,0,0]=4 2790 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,1,0,0,0,0|3,0,0]=4 2791 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,1,0,0,0,0|3,0,0]=4 2792 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,1,0,0,0,0|3,0,0]=4 2793 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,1,0,0,0,0|3,0,0]=4 2794 B11R0.46 CCCNNC(=O)CCC(C)C 22a_100000740057_100000181311 [0,1,0,0,0,0|3,0,0]=4 2795 B11R0.46 CCCNNC(=O)NCC(C)C 273464a_100000210953_100000740057 [0,1,0,0,0,0|3,0,0]=4 2796 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000210953_100000740057 [0,1,0,0,0,0|3,0,0]=4 2797 B11R0.46 CCCNNC(=O)NCC(C)C 512a_100000740057_100000210953 [0,1,0,0,0,0|3,0,0]=4 2798 B11R0.46 CCCNNC(=O)NCC(C)O 273464a_100000210904_100000740057 [0,1,0,0,0,0|3,0,0]=4 2799 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000210904_100000740057 [0,1,0,0,0,0|3,0,0]=4 2800 B11R0.46 CCCNNC(=O)NCC(C)O 512a_100000740057_100000210904 [0,1,0,0,0,0|3,0,0]=4 2801 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,1,0,0,0,0|2,0,0]=3 2802 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,1,0,0,0,0|2,0,0]=3 2803 B11R0.46 CCCOCC(=O)NCC(C)C 11a_100000210953_100000745993 [0,1,0,0,0,0|2,0,0]=3 2804 B11R0.46 CCCOCC(=O)NCC(C)C 1626a_100000210953_100000745993 [0,1,0,0,0,0|2,0,0]=3 2805 B11R0.46 CCCOCC(=O)NCC(C)C 240690a_100000210953_100000745993 [0,1,0,0,0,0|2,0,0]=3 2806 B11R0.46 CCCOCC(=O)NCC(C)C 34a_100000210258_100000183291 [0,1,0,0,0,0|2,0,0]=3 2807 B11R0.46 CCCOCC(=O)NCC(C)C 527a_100000210953_100000745993 [0,1,0,0,0,0|2,0,0]=3 2808 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,1,0,0,0,0|2,0,0]=3 2809 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,1,0,0,0,0|2,0,0]=3 2810 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,1,0,0,0,0|2,0,0]=3 2811 B11R0.46 CCCOCC(=O)NCC(F)F 11a_100000765723_100000745993 [0,1,0,0,0,0|3,0,0]=4 2812 B11R0.46 CCCOCC(=O)NCC(F)F 1626a_100000765723_100000745993 [0,1,0,0,0,0|3,0,0]=4 2813 B11R0.46 CCCOCC(=O)NCC(F)F 240690a_100000765723_100000745993 [0,1,0,0,0,0|3,0,0]=4 2814 B11R0.46 CCCOCC(=O)NCC(F)F 527a_100000765723_100000745993 [0,1,0,0,0,0|3,0,0]=4 2815 B11R0.46 CCCOCC(=O)NNC(C)C 22a_100000741168_100000745993 [0,1,0,0,0,0|3,0,0]=4 2816 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,1,0,0,0,0|2,0,0]=3 2817 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,1,0,0,0,0|2,0,0]=3 2818 B11R0.46 CCCSCC(=O)NCC(C)C 11a_100000210953_100000217233 [0,1,0,0,0,0|2,0,0]=3 2819 B11R0.46 CCCSCC(=O)NCC(C)C 1626a_100000210953_100000217233 [0,1,0,0,0,0|2,0,0]=3 2820 B11R0.46 CCCSCC(=O)NCC(C)C 240690a_100000210953_100000217233 [0,1,0,0,0,0|2,0,0]=3 2821 B11R0.46 CCCSCC(=O)NCC(C)C 527a_100000210953_100000217233 [0,1,0,0,0,0|2,0,0]=3 2822 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000183291_100000210303 [0,1,0,0,0,0|2,0,0]=3 2823 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000210303_100000183291 [0,1,0,0,0,0|2,0,0]=3 2824 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,1,0,0,0,0|2,0,0]=3 2825 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,1,0,0,0,0|2,0,0]=3 2826 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,1,0,0,0,0|2,0,0]=3 2827 B11R0.46 CCCSCC(=O)NCC(F)F 11a_100000765723_100000217233 [0,1,0,0,0,0|3,0,0]=4 2828 B11R0.46 CCCSCC(=O)NCC(F)F 1626a_100000765723_100000217233 [0,1,0,0,0,0|3,0,0]=4 2829 B11R0.46 CCCSCC(=O)NCC(F)F 240690a_100000765723_100000217233 [0,1,0,0,0,0|3,0,0]=4 2830 B11R0.46 CCCSCC(=O)NCC(F)F 527a_100000765723_100000217233 [0,1,0,0,0,0|3,0,0]=4 2831 B11R0.46 CCCSCC(=O)NNC(C)C 22a_100000741168_100000217233 [0,1,0,0,0,0|3,0,0]=4 2832 B11R0.46 CCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215890 [0,1,0,0,0,0|2,0,1]=4 2833 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,1,0,0,0,0|2,0,0]=3 2834 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,1,0,0,0,0|2,0,0]=3 2835 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,1,0,0,0,0|2,0,0]=3 2836 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,1,0,0,0,0|3,0,0]=4 2837 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [0,1,0,0,0,0|3,0,0]=4 2838 B11R0.46 CCOCCC(=O)CSC(C)C 1458a_100000241585_100011215890 [0,1,0,0,0,0|3,0,0]=4 2839 B11R0.46 CCOCCC(=O)NCC(C)C 11a_100000210953_100000749530 [0,1,0,0,0,0|2,0,0]=3 2840 B11R0.46 CCOCCC(=O)NCC(C)C 1626a_100000210953_100000749530 [0,1,0,0,0,0|2,0,0]=3 2841 B11R0.46 CCOCCC(=O)NCC(C)C 240690a_100000210953_100000749530 [0,1,0,0,0,0|2,0,0]=3 2842 B11R0.46 CCOCCC(=O)NCC(C)C 527a_100000210953_100000749530 [0,1,0,0,0,0|2,0,0]=3 2843 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,1,0,0,0,0|2,0,0]=3 2844 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,1,0,0,0,0|2,0,0]=3 2845 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,1,0,0,0,0|2,0,0]=3 2846 B11R0.46 CCOCCC(=O)NCC(F)F 11a_100000765723_100000749530 [0,1,0,0,0,0|3,0,0]=4 2847 B11R0.46 CCOCCC(=O)NCC(F)F 1626a_100000765723_100000749530 [0,1,0,0,0,0|3,0,0]=4 2848 B11R0.46 CCOCCC(=O)NCC(F)F 240690a_100000765723_100000749530 [0,1,0,0,0,0|3,0,0]=4 2849 B11R0.46 CCOCCC(=O)NCC(F)F 527a_100000765723_100000749530 [0,1,0,0,0,0|3,0,0]=4 2850 B11R0.46 CCOCCC(=O)NNC(C)C 22a_100000741168_100000749530 [0,1,0,0,0,0|3,0,0]=4 2851 B11R0.46 CCSCCC(=O)C=CC(C)C 1458a_100016268746_100000757381 [0,1,0,0,0,0|2,0,1]=4 2852 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,1,0,0,0,0|2,0,0]=3 2853 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,1,0,0,0,0|2,0,0]=3 2854 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,1,0,0,0,0|2,0,0]=3 2855 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [0,1,0,0,0,0|3,0,0]=4 2856 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [0,1,0,0,0,0|3,0,0]=4 2857 B11R0.46 CCSCCC(=O)CSC(C)C 1458a_100000241585_100000757381 [0,1,0,0,0,0|3,0,0]=4 2858 B11R0.46 CCSCCC(=O)NCC(C)C 11a_100000210953_100000230768 [0,1,0,0,0,0|2,0,0]=3 2859 B11R0.46 CCSCCC(=O)NCC(C)C 1626a_100000210953_100000230768 [0,1,0,0,0,0|2,0,0]=3 2860 B11R0.46 CCSCCC(=O)NCC(C)C 240690a_100000210953_100000230768 [0,1,0,0,0,0|2,0,0]=3 2861 B11R0.46 CCSCCC(=O)NCC(C)C 527a_100000210953_100000230768 [0,1,0,0,0,0|2,0,0]=3 2862 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,1,0,0,0,0|2,0,0]=3 2863 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,1,0,0,0,0|2,0,0]=3 2864 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,1,0,0,0,0|2,0,0]=3 2865 B11R0.46 CCSCCC(=O)NCC(F)F 11a_100000765723_100000230768 [0,1,0,0,0,0|3,0,0]=4 2866 B11R0.46 CCSCCC(=O)NCC(F)F 1626a_100000765723_100000230768 [0,1,0,0,0,0|3,0,0]=4 2867 B11R0.46 CCSCCC(=O)NCC(F)F 240690a_100000765723_100000230768 [0,1,0,0,0,0|3,0,0]=4 2868 B11R0.46 CCSCCC(=O)NCC(F)F 527a_100000765723_100000230768 [0,1,0,0,0,0|3,0,0]=4 2869 B11R0.46 CCSCCC(=O)NNC(C)C 22a_100000741168_100000230768 [0,1,0,0,0,0|3,0,0]=4 2870 B11R0.46 CNCCCC(=O)NCC(C)C 2230a_106832991635_100011194448 [0,1,0,0,0,0|2,0,0]=3 2871 B11R0.46 CNCCCC(=O)NCC(C)C 34a_100102657272_100011194448 [0,1,0,0,0,0|2,0,0]=3 2872 B11R0.46 CNCCCC(=O)NCC(C)C 7a_106832991635_100011194448 [0,1,0,0,0,0|2,0,0]=3 2873 B11R0.46 COCCCC(=O)C=CC(C)C 1458a_100016268746_100000740836 [0,1,0,0,0,0|2,0,1]=4 2874 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,1,0,0,0,0|2,0,0]=3 2875 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,1,0,0,0,0|2,0,0]=3 2876 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,1,0,0,0,0|2,0,0]=3 2877 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [0,1,0,0,0,0|3,0,0]=4 2878 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [0,1,0,0,0,0|3,0,0]=4 2879 B11R0.46 COCCCC(=O)CSC(C)C 1458a_100000241585_100000740836 [0,1,0,0,0,0|3,0,0]=4 2880 B11R0.46 COCCCC(=O)NCC(C)C 11a_100000210953_100000741012 [0,1,0,0,0,0|2,0,0]=3 2881 B11R0.46 COCCCC(=O)NCC(C)C 1626a_100000210953_100000741012 [0,1,0,0,0,0|2,0,0]=3 2882 B11R0.46 COCCCC(=O)NCC(C)C 240690a_100000210953_100000741012 [0,1,0,0,0,0|2,0,0]=3 2883 B11R0.46 COCCCC(=O)NCC(C)C 34a_100138415774_100011194448 [0,1,0,0,0,0|2,0,0]=3 2884 B11R0.46 COCCCC(=O)NCC(C)C 527a_100000210953_100000741012 [0,1,0,0,0,0|2,0,0]=3 2885 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,1,0,0,0,0|2,0,0]=3 2886 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,1,0,0,0,0|2,0,0]=3 2887 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,1,0,0,0,0|2,0,0]=3 2888 B11R0.46 COCCCC(=O)NCC(F)F 11a_100000765723_100000741012 [0,1,0,0,0,0|3,0,0]=4 2889 B11R0.46 COCCCC(=O)NCC(F)F 1626a_100000765723_100000741012 [0,1,0,0,0,0|3,0,0]=4 2890 B11R0.46 COCCCC(=O)NCC(F)F 240690a_100000765723_100000741012 [0,1,0,0,0,0|3,0,0]=4 2891 B11R0.46 COCCCC(=O)NCC(F)F 527a_100000765723_100000741012 [0,1,0,0,0,0|3,0,0]=4 2892 B11R0.46 COCCCC(=O)NNC(C)C 22a_100000741168_100000741012 [0,1,0,0,0,0|3,0,0]=4 2893 B11R0.46 COCCCC(C)OCC(C)C 34a_200011539412_100000210624 [0,1,0,0,0,0|2,0,1]=4 2894 B11R0.46 COCCCC(C)OCC(C)C 7a_200011539412_100000210760 [0,1,0,0,0,0|2,0,1]=4 2895 B11R0.46 COCCCC(C)OCC(C)O 34a_200011539412_100011218427 [0,1,0,0,0,0|2,0,1]=4 2896 B11R0.46 COCCCC(C)OCC(C)O 7a_200011539412_100011218427 [0,1,0,0,0,0|2,0,1]=4 2897 B11R0.46 COCCCC(C)OC[C@@H](C)O 34a_200011539412_100009817552 [0,1,0,0,0,0|2,0,1]=4 2898 B11R0.46 COCCCC(C)OC[C@@H](C)O 7a_200011539412_100009817552 [0,1,0,0,0,0|2,0,1]=4 2899 B11R0.46 COCCNC(=O)CCC(C)C 1626a_100000209980_100000181311 [0,1,0,0,0,0|3,0,0]=4 2900 B11R0.46 COCCNC(=O)CCC(C)C 240690a_100000209980_100000181311 [0,1,0,0,0,0|3,0,0]=4 2901 B11R0.46 COCCNC(=O)CCC(C)C 527a_100000209980_100000181311 [0,1,0,0,0,0|3,0,0]=4 2902 B11R0.46 COCCNC(=O)CCC(C)O 1626a_100000209980_100000718519 [0,1,0,0,0,0|3,0,0]=4 2903 B11R0.46 COCCNC(=O)NCC(C)C 2708a_100000210953_100000209980 [0,1,0,0,0,0|3,0,0]=4 2904 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000209980_100000210953 [0,1,0,0,0,0|3,0,0]=4 2905 B11R0.46 COCCNC(=O)NCC(C)C 273464a_100000210953_100000209980 [0,1,0,0,0,0|3,0,0]=4 2906 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000209980_100000210904 [0,1,0,0,0,0|3,0,0]=4 2907 B11R0.46 COCCNC(=O)NCC(C)O 273464a_100000210904_100000209980 [0,1,0,0,0,0|3,0,0]=4 2908 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000183291_100000766300 [0,1,0,0,0,0|3,0,0]=4 2909 B11R0.46 COCSCC(=O)NCC(C)C 62a_100000766300_100000183291 [0,1,0,0,0,0|3,0,0]=4 2910 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,1,0,0,0,0|2,0,0]=3 2911 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,1,0,0,0,0|2,0,0]=3 2912 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [0,1,0,0,0,0|2,0,0]=3 2913 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [0,1,0,0,0,0|2,0,0]=3 2914 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [0,1,0,0,0,0|2,0,0]=3 2915 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [0,1,0,0,0,0|2,0,0]=3 2916 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [0,1,0,0,0,0|2,0,0]=3 2917 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [0,1,0,0,0,0|2,0,0]=3 2918 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,1,0,0,0,0|2,0,0]=3 2919 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,1,0,0,0,0|2,0,0]=3 2920 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,1,0,0,0,0|2,0,0]=3 2921 B11R0.46 CSCCCC(=O)NCC(F)F 11a_100000765723_100000173376 [0,1,0,0,0,0|3,0,0]=4 2922 B11R0.46 CSCCCC(=O)NCC(F)F 1626a_100000765723_100000173376 [0,1,0,0,0,0|3,0,0]=4 2923 B11R0.46 CSCCCC(=O)NCC(F)F 240690a_100000765723_100000173376 [0,1,0,0,0,0|3,0,0]=4 2924 B11R0.46 CSCCCC(=O)NCC(F)F 527a_100000765723_100000173376 [0,1,0,0,0,0|3,0,0]=4 2925 B11R0.46 CSCCCC(=O)NNC(C)C 22a_100000741168_100000173376 [0,1,0,0,0,0|3,0,0]=4 2926 B11R0.46 CSCCNC(=O)CCC(C)C 11a_100020590264_100000181311 [0,1,0,0,0,0|3,0,0]=4 2927 B11R0.46 CSCCNC(=O)CCC(C)C 1626a_100020590264_100000181311 [0,1,0,0,0,0|3,0,0]=4 2928 B11R0.46 CSCCNC(=O)CCC(C)C 240690a_100020590264_100000181311 [0,1,0,0,0,0|3,0,0]=4 2929 B11R0.46 CSCCNC(=O)CCC(C)C 527a_100020590264_100000181311 [0,1,0,0,0,0|3,0,0]=4 2930 B11R0.46 CSCCNC(=O)CCC(C)O 1626a_100020590264_100000718519 [0,1,0,0,0,0|3,0,0]=4 2931 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100000210953_100020590264 [0,1,0,0,0,0|3,0,0]=4 2932 B11R0.46 CSCCNC(=O)NCC(C)C 2708a_100020590264_100000210953 [0,1,0,0,0,0|3,0,0]=4 2933 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100000210953_100020590264 [0,1,0,0,0,0|3,0,0]=4 2934 B11R0.46 CSCCNC(=O)NCC(C)C 273464a_100020590264_100000210953 [0,1,0,0,0,0|3,0,0]=4 2935 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100000210953_100020590264 [0,1,0,0,0,0|3,0,0]=4 2936 B11R0.46 CSCCNC(=O)NCC(C)C 512a_100020590264_100000210953 [0,1,0,0,0,0|3,0,0]=4 2937 B11R0.46 CSCCNC(=O)NCC(C)O 2708a_100020590264_100000210904 [0,1,0,0,0,0|3,0,0]=4 2938 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100000210904_100020590264 [0,1,0,0,0,0|3,0,0]=4 2939 B11R0.46 CSCCNC(=O)NCC(C)O 273464a_100020590264_100000210904 [0,1,0,0,0,0|3,0,0]=4 2940 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100000210904_100020590264 [0,1,0,0,0,0|3,0,0]=4 2941 B11R0.46 CSCCNC(=O)NCC(C)O 512a_100020590264_100000210904 [0,1,0,0,0,0|3,0,0]=4 2942 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100000183291_100011218213 [0,1,0,0,0,0|3,0,0]=4 2943 B11R0.46 CSCSCC(=O)NCC(C)C 62a_100011218213_100000183291 [0,1,0,0,0,0|3,0,0]=4 2944 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,1,0,0,0,0|3,0,0]=4 2945 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,1,0,0,0,0|3,0,0]=4 2946 B11R0.46 O=C(CCCCO)NCC(F)F 1626a_100000765723_100000695505 [0,1,0,0,0,0|3,0,0]=4 2947 B11R0.70 C#CC(C)NCC(=O)OCCC 2230a_100000707721_200011215008 [0,1,0,0,0,0|1,0,2]=4 2948 B11R0.70 C#CC(C)NCC(=O)OCCC 34a_100000707721_200011215008 [0,1,0,0,0,0|1,0,2]=4 2949 B11R0.70 C#CC(C)SCC(=O)OCCC 62a_200000035995_200011215008 [0,1,0,0,0,0|1,0,2]=4 2950 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [0,1,0,0,0,0|1,0,2]=4 2951 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 2952 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 2953 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 2954 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [0,1,0,0,0,0|1,0,2]=4 2955 B11R0.70 C#CCNC(=O)CCC(O)CC 1626a_100000212058_203496584001 [0,1,0,0,0,0|1,0,2]=4 2956 B11R0.70 C#CCNC(=O)CCC(O)CC 240690a_100000212058_203496584001 [0,1,0,0,0,0|1,0,2]=4 2957 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 34a_100009815206_200011215008 [0,1,0,0,0,0|1,0,2]=4 2958 B11R0.70 C#C[C@@H](C)OCC(=O)OCCC 7a_100009815206_200011215008 [0,1,0,0,0,0|1,0,2]=4 2959 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [0,1,0,0,0,0|1,0,2]=4 2960 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000042856_100000758301 [0,1,0,0,0,0|3,0,0]=4 2961 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000758301_100000042856 [0,1,0,0,0,0|3,0,0]=4 2962 B11R0.70 C=CC(C)OCC(=O)OCCC 34a_100000695699_200011215008 [0,1,0,0,0,0|1,0,2]=4 2963 B11R0.70 C=CC(C)SCC(=O)OCCC 62a_100011215867_200011215008 [0,1,0,0,0,0|1,0,2]=4 2964 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,1,0,0,0,0|1,0,2]=4 2965 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [0,1,0,0,0,0|1,0,2]=4 2966 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [0,1,0,0,0,0|1,0,2]=4 2967 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [0,1,0,0,0,0|1,0,2]=4 2968 B11R0.70 C=CCNC(=O)CCC(O)CC 1626a_100020586998_203496584001 [0,1,0,0,0,0|1,0,2]=4 2969 B11R0.70 C=CCNC(=O)CCC(O)CC 240690a_100020586998_203496584001 [0,1,0,0,0,0|1,0,2]=4 2970 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [0,1,0,0,0,0|1,0,2]=4 2971 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [0,1,0,0,0,0|1,0,2]=4 2972 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [0,1,0,0,0,0|1,0,2]=4 2973 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [0,1,0,0,0,0|1,0,2]=4 2974 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [0,1,0,0,0,0|1,0,2]=4 2975 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [0,1,0,0,0,0|1,0,2]=4 2976 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [0,1,0,0,0,0|2,0,1]=4 2977 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,1,0,0,0,0|2,0,0]=3 2978 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,1,0,0,0,0|2,0,0]=3 2979 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,1,0,0,0,0|2,0,0]=3 2980 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,1,0,0,0,0|2,0,0]=3 2981 B11R0.70 CCC(C)CCC(=O)NCC#N 1626a_100000734998_100000701222 [0,1,0,0,0,0|2,0,1]=4 2982 B11R0.70 CCC(C)CCC(=O)NCC#N 527a_100000734998_100000701222 [0,1,0,0,0,0|2,0,1]=4 2983 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,1,0,0,0,0|2,0,0]=3 2984 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,1,0,0,0,0|2,0,0]=3 2985 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,1,0,0,0,0|2,0,0]=3 2986 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,1,0,0,0,0|2,0,0]=3 2987 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,1,0,0,0,0|2,0,0]=3 2988 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,1,0,0,0,0|2,0,0]=3 2989 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,1,0,0,0,0|2,0,1]=4 2990 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,1,0,0,0,0|2,0,1]=4 2991 B11R0.70 CCC(C)CNC(=O)CCOC 11a_100020588543_100000749529 [0,1,0,0,0,0|3,0,0]=4 2992 B11R0.70 CCC(C)CNC(=O)CCOC 1626a_100020588543_100000749529 [0,1,0,0,0,0|3,0,0]=4 2993 B11R0.70 CCC(C)CNC(=O)CCOC 240690a_100020588543_100000749529 [0,1,0,0,0,0|3,0,0]=4 2994 B11R0.70 CCC(C)CNC(=O)CCOC 527a_100020588543_100000749529 [0,1,0,0,0,0|3,0,0]=4 2995 B11R0.70 CCC(C)CNC(=O)CCSC 11a_100020588543_100000174002 [0,1,0,0,0,0|3,0,0]=4 2996 B11R0.70 CCC(C)CNC(=O)CCSC 1626a_100020588543_100000174002 [0,1,0,0,0,0|3,0,0]=4 2997 B11R0.70 CCC(C)CNC(=O)CCSC 240690a_100020588543_100000174002 [0,1,0,0,0,0|3,0,0]=4 2998 B11R0.70 CCC(C)CNC(=O)CCSC 527a_100020588543_100000174002 [0,1,0,0,0,0|3,0,0]=4 2999 B11R0.70 CCC(C)CNC(=O)NCCF 2708a_100020588543_100000724931 [0,1,0,0,0,0|3,0,0]=4 3000 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100000724931_100020588543 [0,1,0,0,0,0|3,0,0]=4 3001 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100020588543_100000724931 [0,1,0,0,0,0|3,0,0]=4 3002 B11R0.70 CCC(C)CNC(=O)NCCF 512a_100020588543_100000724931 [0,1,0,0,0,0|3,0,0]=4 3003 B11R0.70 CCC(C)CNC(=O)NCCO 2708a_100020588543_100000210304 [0,1,0,0,0,0|3,0,0]=4 3004 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100000210304_100020588543 [0,1,0,0,0,0|3,0,0]=4 3005 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100020588543_100000210304 [0,1,0,0,0,0|3,0,0]=4 3006 B11R0.70 CCC(C)CNC(=O)NCCO 512a_100020588543_100000210304 [0,1,0,0,0,0|3,0,0]=4 3007 B11R0.70 CCC(C)NCC(=O)NCCF 2230a_100000725713_100000758301 [0,1,0,0,0,0|3,0,0]=4 3008 B11R0.70 CCC(O)CCC(=O)NCC#N 1626a_100000734998_203496584001 [0,1,0,0,0,0|2,0,1]=4 3009 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,1,0,0,0,0|2,0,0]=3 3010 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,1,0,0,0,0|2,0,0]=3 3011 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,1,0,0,0,0|2,0,0]=3 3012 B11R0.70 CCC(O)CNC(=O)CCOC 11a_100011218483_100000749529 [0,1,0,0,0,0|3,0,0]=4 3013 B11R0.70 CCC(O)CNC(=O)CCOC 240690a_100011218483_100000749529 [0,1,0,0,0,0|3,0,0]=4 3014 B11R0.70 CCC(O)CNC(=O)CCOC 527a_100011218483_100000749529 [0,1,0,0,0,0|3,0,0]=4 3015 B11R0.70 CCC(O)CNC(=O)CCSC 11a_100011218483_100000174002 [0,1,0,0,0,0|3,0,0]=4 3016 B11R0.70 CCC(O)CNC(=O)CCSC 240690a_100011218483_100000174002 [0,1,0,0,0,0|3,0,0]=4 3017 B11R0.70 CCC(O)CNC(=O)CCSC 527a_100011218483_100000174002 [0,1,0,0,0,0|3,0,0]=4 3018 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100000724931_100011218483 [0,1,0,0,0,0|3,0,0]=4 3019 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100011218483_100000724931 [0,1,0,0,0,0|3,0,0]=4 3020 B11R0.70 CCC(O)CNC(=O)NCCF 512a_100011218483_100000724931 [0,1,0,0,0,0|3,0,0]=4 3021 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100000210304_100011218483 [0,1,0,0,0,0|3,0,0]=4 3022 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100011218483_100000210304 [0,1,0,0,0,0|3,0,0]=4 3023 B11R0.70 CCC(O)CNC(=O)NCCO 512a_100011218483_100000210304 [0,1,0,0,0,0|3,0,0]=4 3024 B11R0.70 CCC=CC(=O)NCC(C)CC 11a_100020588543_100000212282 [0,1,0,0,0,0|2,0,1]=4 3025 B11R0.70 CCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212282 [0,1,0,0,0,0|2,0,1]=4 3026 B11R0.70 CCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212282 [0,1,0,0,0,0|2,0,1]=4 3027 B11R0.70 CCC=CC(=O)NCC(O)CC 11a_100011218483_100000212282 [0,1,0,0,0,0|2,0,1]=4 3028 B11R0.70 CCC=CC(=O)NCC(O)CC 240690a_100011218483_100000212282 [0,1,0,0,0,0|2,0,1]=4 3029 B11R0.70 CCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210211 [0,1,0,0,0,0|2,0,1]=4 3030 B11R0.70 CCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210211 [0,1,0,0,0,0|2,0,1]=4 3031 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,1,0,0,0,0|1,0,0]=2 3032 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,1,0,0,0,0|2,0,0]=3 3033 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,1,0,0,0,0|2,0,0]=3 3034 B11R0.70 CCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210211 [0,1,0,0,0,0|2,0,1]=4 3035 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,1,0,0,0,0|2,0,0]=3 3036 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,1,0,0,0,0|2,0,0]=3 3037 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,1,0,0,0,0|2,0,0]=3 3038 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,1,0,0,0,0|2,0,0]=3 3039 B11R0.70 CCCCC(=O)NCC(C)CO 240690a_100000744482_100000210183 [0,1,0,0,0,0|3,0,0]=4 3040 B11R0.70 CCCCC(=O)NCC(C)CO 527a_100000744482_100000210183 [0,1,0,0,0,0|3,0,0]=4 3041 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,1,0,0,0,0|2,0,0]=3 3042 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,1,0,0,0,0|2,0,0]=3 3043 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,1,0,0,0,0|2,0,0]=3 3044 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210183 [0,1,0,0,0,0|3,0,0]=4 3045 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210183 [0,1,0,0,0,0|3,0,0]=4 3046 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210183 [0,1,0,0,0,0|3,0,0]=4 3047 B11R0.70 CCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210183 [0,1,0,0,0,0|3,0,0]=4 3048 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210183 [0,1,0,0,0,0|3,0,0]=4 3049 B11R0.70 CCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210183 [0,1,0,0,0,0|3,0,0]=4 3050 B11R0.70 CCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210183 [0,1,0,0,0,0|3,0,0]=4 3051 B11R0.70 CCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000210183 [0,1,0,0,0,0|3,0,0]=4 3052 B11R0.70 CCCCC(=O)NNC(C)CC 22a_100000718999_100000210183 [0,1,0,0,0,0|3,0,0]=4 3053 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,1,0,0,0,0|1,0,1]=3 3054 B11R0.70 CCCNC(=O)CCC(=O)CF 1458a_100000199543_100015361967 [0,1,0,0,0,0|2,0,1]=4 3055 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 3056 B11R0.70 CCCNC(=O)CCC(=O)NC 11a_106832991635_100000199543 [0,1,0,0,0,0|2,0,1]=4 3057 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 3058 B11R0.70 CCCNC(=O)CCC(=O)NC 1626a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 3059 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 3060 B11R0.70 CCCNC(=O)CCC(=O)NC 240690a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 3061 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100020643023_100011309844 [0,1,0,0,0,0|2,0,1]=4 3062 B11R0.70 CCCNC(=O)CCC(=O)NC 527a_100102657272_100000199543 [0,1,0,0,0,0|2,0,1]=4 3063 B11R0.70 CCCNC(=O)CCC(=O)OC 11a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 3064 B11R0.70 CCCNC(=O)CCC(=O)OC 1626a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 3065 B11R0.70 CCCNC(=O)CCC(=O)OC 240690a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 3066 B11R0.70 CCCNC(=O)CCC(=O)OC 527a_100020643023_100000187943 [0,1,0,0,0,0|2,0,1]=4 3067 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,1,0,0,0,0|1,0,0]=2 3068 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,1,0,0,0,0|1,0,0]=2 3069 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,1,0,0,0,0|1,0,0]=2 3070 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,1,0,0,0,0|1,0,0]=2 3071 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,1,0,0,0,0|1,0,0]=2 3072 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,1,0,0,0,0|1,0,0]=2 3073 B11R0.70 CCCNC(=O)CCN(C)CC 240690a_100020643023_100000755305 [0,1,0,0,0,0|2,0,0]=3 3074 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [0,1,0,0,0,0|2,0,0]=3 3075 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [0,1,0,0,0,0|2,0,0]=3 3076 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [0,1,0,0,0,0|2,0,0]=3 3077 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [0,1,0,0,0,0|2,0,0]=3 3078 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 3079 B11R0.70 CCCNC(=O)CNC(=O)CC 11a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 3080 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 3081 B11R0.70 CCCNC(=O)CNC(=O)CC 1626a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 3082 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 3083 B11R0.70 CCCNC(=O)CNC(=O)CC 240690a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 3084 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100000174927_100000210414 [0,1,0,0,0,0|2,0,1]=4 3085 B11R0.70 CCCNC(=O)CNC(=O)CC 527a_100020643023_100000194589 [0,1,0,0,0,0|2,0,1]=4 3086 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000174927_100000758301 [0,1,0,0,0,0|2,0,0]=3 3087 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000209981_100000183358 [0,1,0,0,0,0|2,0,0]=3 3088 B11R0.70 CCCNC(=O)CNC(C)CO 2230a_100000174927_100012180447 [0,1,0,0,0,0|3,0,0]=4 3089 B11R0.70 CCCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183358 [0,1,0,0,0,0|3,0,0]=4 3090 B11R0.70 CCCNC(=O)COC(C)CC 7a_100000210228_100000183358 [0,1,0,0,0,0|2,0,0]=3 3091 B11R0.70 CCCNC(=O)COC(C)CF 34a_100016041109_100000183358 [0,1,0,0,0,0|3,0,0]=4 3092 B11R0.70 CCCNC(=O)COC(C)CF 7a_100016041109_100000183358 [0,1,0,0,0,0|3,0,0]=4 3093 B11R0.70 CCCNC(=O)COC(C)CN 34a_100000210904_100000183358 [0,1,0,0,0,0|3,0,0]=4 3094 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000183358_100000758301 [0,1,0,0,0,0|2,0,0]=3 3095 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000758301_100000183358 [0,1,0,0,0,0|2,0,0]=3 3096 B11R0.70 CCCNC(=O)CSC(C)CO 62a_100012180447_100000183358 [0,1,0,0,0,0|3,0,0]=4 3097 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100000183358_100009879195 [0,1,0,0,0,0|3,0,0]=4 3098 B11R0.70 CCCNC(=O)CSC(C)OC 62a_100009879195_100000183358 [0,1,0,0,0,0|3,0,0]=4 3099 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100000183358_100016084084 [0,1,0,0,0,0|3,0,0]=4 3100 B11R0.70 CCCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183358 [0,1,0,0,0,0|3,0,0]=4 3101 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020588543_100020643023 [0,1,0,0,0,0|2,0,0]=3 3102 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020643023_100020588543 [0,1,0,0,0,0|2,0,0]=3 3103 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020588543_100020643023 [0,1,0,0,0,0|2,0,0]=3 3104 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020643023_100020588543 [0,1,0,0,0,0|2,0,0]=3 3105 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020588543_100020643023 [0,1,0,0,0,0|2,0,0]=3 3106 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020643023_100020588543 [0,1,0,0,0,0|2,0,0]=3 3107 B11R0.70 CCCNC(=O)NCC(C)CO 2708a_100020643023_100000744482 [0,1,0,0,0,0|3,0,0]=4 3108 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100000744482_100020643023 [0,1,0,0,0,0|3,0,0]=4 3109 B11R0.70 CCCNC(=O)NCC(C)CO 273464a_100020643023_100000744482 [0,1,0,0,0,0|3,0,0]=4 3110 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100000744482_100020643023 [0,1,0,0,0,0|3,0,0]=4 3111 B11R0.70 CCCNC(=O)NCC(C)CO 512a_100020643023_100000744482 [0,1,0,0,0,0|3,0,0]=4 3112 B11R0.70 CCCNC(=O)NCC(O)CC 2708a_100020643023_100011218483 [0,1,0,0,0,0|2,0,0]=3 3113 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100011218483_100020643023 [0,1,0,0,0,0|2,0,0]=3 3114 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100020643023_100011218483 [0,1,0,0,0,0|2,0,0]=3 3115 B11R0.70 CCCNC(=O)NCC(O)CC 512a_100011218483_100020643023 [0,1,0,0,0,0|2,0,0]=3 3116 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100020643023 [0,1,0,0,0,0|3,0,0]=4 3117 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 2708a_100020643023_100020591295 [0,1,0,0,0,0|3,0,0]=4 3118 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100020643023 [0,1,0,0,0,0|3,0,0]=4 3119 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 273464a_100020643023_100020591295 [0,1,0,0,0,0|3,0,0]=4 3120 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100020643023 [0,1,0,0,0,0|3,0,0]=4 3121 B11R0.70 CCCNC(=O)NC[C@@H](C)OC 512a_100020643023_100020591295 [0,1,0,0,0,0|3,0,0]=4 3122 B11R0.70 CCCNC(=O)NC[C@@H](F)CO 2708a_100020643023_100015665980 [0,1,0,0,0,0|3,0,0]=4 3123 B11R0.70 CCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100020643023 [0,1,0,0,0,0|3,0,0]=4 3124 B11R0.70 CCCNC(=O)NC[C@@H](F)CO 273464a_100020643023_100015665980 [0,1,0,0,0,0|3,0,0]=4 3125 B11R0.70 CCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100020643023 [0,1,0,0,0,0|3,0,0]=4 3126 B11R0.70 CCCNC(=O)NC[C@@H](F)CO 512a_100020643023_100015665980 [0,1,0,0,0,0|3,0,0]=4 3127 B11R0.70 CCCNC(=O)NC[C@H](O)CO 2708a_100020643023_100020644852 [0,1,0,0,0,0|3,0,0]=4 3128 B11R0.70 CCCNC(=O)NC[C@H](O)CO 273464a_100020643023_100020644852 [0,1,0,0,0,0|3,0,0]=4 3129 B11R0.70 CCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100020643023 [0,1,0,0,0,0|3,0,0]=4 3130 B11R0.70 CCCNC(=O)NNC(C)CC 273464a_100020643023_100000718999 [0,1,0,0,0,0|3,0,0]=4 3131 B11R0.70 CCCNC(=O)NNC(C)CC 512a_100000718999_100020643023 [0,1,0,0,0,0|3,0,0]=4 3132 B11R0.70 CCCNC(=O)NNC(C)CC 512a_100020643023_100000718999 [0,1,0,0,0,0|3,0,0]=4 3133 B11R0.70 CCCOC(=O)CNC(C)C#N 2230a_100000737613_200011215008 [0,1,0,0,0,0|2,0,1]=4 3134 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,1,0,0,0,0|1,0,0]=2 3135 B11R0.70 CCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200011215008 [0,1,0,0,0,0|2,0,0]=3 3136 B11R0.70 CCCOC(=O)COC(C)C#N 34a_100011218135_200011215008 [0,1,0,0,0,0|2,0,1]=4 3137 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,1,0,0,0,0|1,0,0]=2 3138 B11R0.70 CCCOC(=O)COC(C)CF 34a_100016041109_200011215008 [0,1,0,0,0,0|2,0,0]=3 3139 B11R0.70 CCCOC(=O)COC(C)CF 7a_100016041109_200011215008 [0,1,0,0,0,0|2,0,0]=3 3140 B11R0.70 CCCOC(=O)COC(C)CN 34a_100000210904_200011215008 [0,1,0,0,0,0|2,0,0]=3 3141 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_100000703298_200011215008 [0,1,0,0,0,0|2,0,1]=4 3142 B11R0.70 CCCOC(=O)CSC(C)C#N 62a_200011215008_100000703298 [0,1,0,0,0,0|2,0,1]=4 3143 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,1,0,0,0,0|1,0,0]=2 3144 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,1,0,0,0,0|1,0,0]=2 3145 B11R0.70 CCCOC(=O)CSC(C)CO 62a_100012180447_200011215008 [0,1,0,0,0,0|2,0,0]=3 3146 B11R0.70 CCCOC(=O)CSC(C)OC 62a_100009879195_200011215008 [0,1,0,0,0,0|2,0,0]=3 3147 B11R0.70 CCCOC(=O)CSC(C)OC 62a_200011215008_100009879195 [0,1,0,0,0,0|2,0,0]=3 3148 B11R0.70 CCCOC(=O)CSC(F)C#N 62a_200000117898_200011215008 [0,1,0,0,0,0|2,0,1]=4 3149 B11R0.70 CCCOC(=O)CSC(F)C#N 62a_200011215008_200000117898 [0,1,0,0,0,0|2,0,1]=4 3150 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_100016084084_200011215008 [0,1,0,0,0,0|2,0,0]=3 3151 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_200011215008_100016084084 [0,1,0,0,0,0|2,0,0]=3 3152 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,1,0,0,0,0|1,0,1]=3 3153 B11R0.70 CCCOC(=O)OCC(=O)CO 1458a_100000210174_200000139673 [0,1,0,0,0,0|2,0,1]=4 3154 B11R0.70 CCCOC(=O)OCN(C)CC 269982a_100000225621_200000139673 [0,1,0,0,0,0|2,0,0]=3 3155 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,1,0,0,0,0|1,0,1]=3 3156 B11R0.70 CCCOC(C)CNC(C)CC 2230a_100015185124_100000758301 [0,1,0,0,0,0|2,0,1]=4 3157 B11R0.70 CCCOC(C)CNC(C)CC 34a_100015185124_100011215416 [0,1,0,0,0,0|2,0,1]=4 3158 B11R0.70 CCN(C)CCC(=O)CCCF 1458a_100000755305_100011934791 [0,1,0,0,0,0|3,0,0]=4 3159 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,1,0,0,0,0|3,0,0]=4 3160 B11R0.70 CCN(C)CCC(=O)CCOC 1458a_100000755305_100000233755 [0,1,0,0,0,0|3,0,0]=4 3161 B11R0.70 CCN(C)CCC(=O)CCSC 1458a_100000755305_100000751147 [0,1,0,0,0,0|3,0,0]=4 3162 B11R0.70 CCN(C)CCC(=O)NCCF 240690a_100000724931_100000755305 [0,1,0,0,0,0|3,0,0]=4 3163 B11R0.70 CCN(C)CCC(=O)NCCO 240690a_100000210304_100000755305 [0,1,0,0,0,0|3,0,0]=4 3164 B11R0.70 CCNNC(=O)CCC(C)CC 22a_100000756455_100000701222 [0,1,0,0,0,0|2,0,0]=3 3165 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [0,1,0,0,0,0|2,0,0]=3 3166 B11R0.70 CCNNC(=O)CCN(C)CC 22a_100000756455_100000755305 [0,1,0,0,0,0|3,0,0]=4 3167 B11R0.70 CCNNC(=O)NCC(C)CC 273464a_100020588543_100000756455 [0,1,0,0,0,0|3,0,0]=4 3168 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100000756455_100020588543 [0,1,0,0,0,0|3,0,0]=4 3169 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100020588543_100000756455 [0,1,0,0,0,0|3,0,0]=4 3170 B11R0.70 CCNNC(=O)NCC(O)CC 273464a_100011218483_100000756455 [0,1,0,0,0,0|3,0,0]=4 3171 B11R0.70 CCNNC(=O)NCC(O)CC 512a_100011218483_100000756455 [0,1,0,0,0,0|3,0,0]=4 3172 B11R0.70 CCOCC(=O)NCC(C)CC 11a_100020588543_100000211967 [0,1,0,0,0,0|3,0,0]=4 3173 B11R0.70 CCOCC(=O)NCC(C)CC 1626a_100020588543_100000211967 [0,1,0,0,0,0|3,0,0]=4 3174 B11R0.70 CCOCC(=O)NCC(C)CC 240690a_100020588543_100000211967 [0,1,0,0,0,0|3,0,0]=4 3175 B11R0.70 CCOCC(=O)NCC(C)CC 527a_100020588543_100000211967 [0,1,0,0,0,0|3,0,0]=4 3176 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [0,1,0,0,0,0|3,0,0]=4 3177 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [0,1,0,0,0,0|3,0,0]=4 3178 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [0,1,0,0,0,0|3,0,0]=4 3179 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [0,1,0,0,0,0|3,0,0]=4 3180 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,1,0,0,0,0|3,0,0]=4 3181 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [0,1,0,0,0,0|3,0,0]=4 3182 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [0,1,0,0,0,0|3,0,0]=4 3183 B11R0.70 CCS(=O)CCC(=O)NCCF 11a_100000724931_100011387550 [0,1,0,0,0,0|3,0,0]=4 3184 B11R0.70 CCS(=O)CCC(=O)NCCF 1626a_100000724931_100011387550 [0,1,0,0,0,0|3,0,0]=4 3185 B11R0.70 CCS(=O)CCC(=O)NCCF 240690a_100000724931_100011387550 [0,1,0,0,0,0|3,0,0]=4 3186 B11R0.70 CCS(=O)CCC(=O)NCCF 527a_100000724931_100011387550 [0,1,0,0,0,0|3,0,0]=4 3187 B11R0.70 CCS(=O)CCC(=O)NCCO 240690a_100000210304_100011387550 [0,1,0,0,0,0|3,0,0]=4 3188 B11R0.70 CCS(=O)CCC(=O)NCCO 527a_100000210304_100011387550 [0,1,0,0,0,0|3,0,0]=4 3189 B11R0.70 CCSCC(=O)NCC(C)CC 11a_100020588543_100000230394 [0,1,0,0,0,0|3,0,0]=4 3190 B11R0.70 CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230394 [0,1,0,0,0,0|3,0,0]=4 3191 B11R0.70 CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230394 [0,1,0,0,0,0|3,0,0]=4 3192 B11R0.70 CCSCC(=O)NCC(C)CC 527a_100020588543_100000230394 [0,1,0,0,0,0|3,0,0]=4 3193 B11R0.70 CCSCC(=O)NCC(O)CC 11a_100011218483_100000230394 [0,1,0,0,0,0|3,0,0]=4 3194 B11R0.70 CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230394 [0,1,0,0,0,0|3,0,0]=4 3195 B11R0.70 CCSCC(=O)NCC(O)CC 527a_100011218483_100000230394 [0,1,0,0,0,0|3,0,0]=4 3196 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,1,0,0,0,0|1,0,2]=4 3197 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,1,0,0,0,0|1,0,2]=4 3198 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,1,0,0,0,0|1,0,2]=4 3199 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,1,0,0,0,0|1,0,2]=4 3200 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,1,0,0,0,0|1,0,2]=4 3201 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,1,0,0,0,0|1,0,2]=4 3202 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,1,0,0,0,0|1,0,2]=4 3203 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,1,0,0,0,0|1,0,2]=4 3204 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,1,0,0,0,0|1,0,2]=4 3205 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,1,0,0,0,0|1,0,2]=4 3206 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,1,0,0,0,0|1,0,2]=4 3207 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,1,0,0,0,0|1,0,2]=4 3208 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,1,0,0,0,0|1,0,2]=4 3209 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 3210 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 3211 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 3212 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,1,0,0,0,0|1,0,2]=4 3213 B11R0.81 C#CCCCCC(=O)C#CCC 1458a_100011827653_100010269958 [0,1,0,0,0,0|1,0,2]=4 3214 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,1,0,0,0,0|1,0,2]=4 3215 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,1,0,0,0,0|1,0,1]=3 3216 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,1,0,0,0,0|1,0,1]=3 3217 B11R0.81 C#CCCCCC(=O)CCCF 1458a_100000696528_100011934791 [0,1,0,0,0,0|2,0,1]=4 3218 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,1,0,0,0,0|2,0,1]=4 3219 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000696528_100000233755 [0,1,0,0,0,0|2,0,1]=4 3220 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000749529_100010269958 [0,1,0,0,0,0|2,0,1]=4 3221 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000174002_100010269958 [0,1,0,0,0,0|2,0,1]=4 3222 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000696528_100000751147 [0,1,0,0,0,0|2,0,1]=4 3223 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,1,0,0,0,0|2,0,1]=4 3224 B11R0.81 C#CCCCCC(=O)CSCC 1458a_100000230394_100010269958 [0,1,0,0,0,0|2,0,1]=4 3225 B11R0.81 C#CCCCCC(=O)NCCC 11a_100020643023_100000696528 [0,1,0,0,0,0|1,0,1]=3 3226 B11R0.81 C#CCCCCC(=O)NCCC 1626a_100020643023_100000696528 [0,1,0,0,0,0|1,0,1]=3 3227 B11R0.81 C#CCCCCC(=O)NCCC 240690a_100020643023_100000696528 [0,1,0,0,0,0|1,0,1]=3 3228 B11R0.81 C#CCCCCC(=O)NCCC 527a_100020643023_100000696528 [0,1,0,0,0,0|1,0,1]=3 3229 B11R0.81 C#CCCCCC(=O)NCCF 11a_100000724931_100000696528 [0,1,0,0,0,0|2,0,1]=4 3230 B11R0.81 C#CCCCCC(=O)NCCF 1626a_100000724931_100000696528 [0,1,0,0,0,0|2,0,1]=4 3231 B11R0.81 C#CCCCCC(=O)NCCF 240690a_100000724931_100000696528 [0,1,0,0,0,0|2,0,1]=4 3232 B11R0.81 C#CCCCCC(=O)NCCF 527a_100000724931_100000696528 [0,1,0,0,0,0|2,0,1]=4 3233 B11R0.81 C#CCCCCC(=O)NCCO 240690a_100000210304_100000696528 [0,1,0,0,0,0|2,0,1]=4 3234 B11R0.81 C#CCCCCC(=O)NCCO 527a_100000210304_100000696528 [0,1,0,0,0,0|2,0,1]=4 3235 B11R0.81 C#CCCCCC(=O)NNCC 22a_100000756455_100000696528 [0,1,0,0,0,0|2,0,1]=4 3236 B11R0.81 C#CCCCNC(=O)CCCC 11a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3237 B11R0.81 C#CCCCNC(=O)CCCC 1626a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3238 B11R0.81 C#CCCCNC(=O)CCCC 240690a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3239 B11R0.81 C#CCCCNC(=O)CCCC 527a_100000718082_100000210183 [0,1,0,0,0,0|1,0,2]=4 3240 B11R0.81 C#CCCCNC(=O)NCCC 2708a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3241 B11R0.81 C#CCCCNC(=O)NCCC 2708a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3242 B11R0.81 C#CCCCNC(=O)NCCC 273464a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3243 B11R0.81 C#CCCCNC(=O)NCCC 273464a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3244 B11R0.81 C#CCCCNC(=O)NCCC 512a_100000718082_100020643023 [0,1,0,0,0,0|1,0,2]=4 3245 B11R0.81 C#CCCCNC(=O)NCCC 512a_100020643023_100000718082 [0,1,0,0,0,0|1,0,2]=4 3246 B11R0.81 C#CCCNCC(=O)NCCC 2230a_100000174927_100000688953 [0,1,0,0,0,0|1,0,2]=4 3247 B11R0.81 C#CCCNCC(=O)NCCC 34a_100000755551_100000183358 [0,1,0,0,0,0|1,0,2]=4 3248 B11R0.81 C#CCCNCC(=O)OCCC 34a_100000755551_200011215008 [0,1,0,0,0,0|0,0,2]=3 3249 B11R0.81 C#CCCOCC(=O)NCCC 34a_100011215631_100000183358 [0,1,0,0,0,0|1,0,2]=4 3250 B11R0.81 C#CCCOCC(=O)OCCC 34a_100011215631_200011215008 [0,1,0,0,0,0|0,0,2]=3 3251 B11R0.81 C#CCCSCC(=O)NCCC 62a_100000183358_100000688953 [0,1,0,0,0,0|1,0,2]=4 3252 B11R0.81 C#CCCSCC(=O)NCCC 62a_100000688953_100000183358 [0,1,0,0,0,0|1,0,2]=4 3253 B11R0.81 C#CCCSCC(=O)OCCC 62a_100000688953_200011215008 [0,1,0,0,0,0|0,0,2]=3 3254 B11R0.81 C#CCCSCC(=O)OCCC 62a_200011215008_100000688953 [0,1,0,0,0,0|0,0,2]=3 3255 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3256 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3257 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3258 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,1,0,0,0,0|1,0,2]=4 3259 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,1,0,0,0,0|1,0,2]=4 3260 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,1,0,0,0,0|1,0,2]=4 3261 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,1,0,0,0,0|1,0,2]=4 3262 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 3263 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 3264 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 3265 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,1,0,0,0,0|1,0,2]=4 3266 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 3267 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 3268 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 3269 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,1,0,0,0,0|1,0,2]=4 3270 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3271 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3272 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3273 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3274 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,1,0,0,0,0|1,0,2]=4 3275 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,1,0,0,0,0|1,0,2]=4 3276 B11R0.81 C#CCNCOC(=O)OCCC 34a_100000212058_200000139673 [0,1,0,0,0,0|1,0,2]=4 3277 B11R0.81 C#CCOCCC(=O)CCCC 1458a_100000210183_100010402529 [0,1,0,0,0,0|1,0,2]=4 3278 B11R0.81 C#CCOCCC(=O)CCCC 1458a_100000693358_100000210211 [0,1,0,0,0,0|1,0,2]=4 3279 B11R0.81 C#CCOCCC(=O)NCCC 11a_100020643023_100000693358 [0,1,0,0,0,0|1,0,2]=4 3280 B11R0.81 C#CCOCCC(=O)NCCC 1626a_100020643023_100000693358 [0,1,0,0,0,0|1,0,2]=4 3281 B11R0.81 C#CCOCCC(=O)NCCC 240690a_100020643023_100000693358 [0,1,0,0,0,0|1,0,2]=4 3282 B11R0.81 C#CCOCCC(=O)NCCC 527a_100020643023_100000693358 [0,1,0,0,0,0|1,0,2]=4 3283 B11R0.81 C#CCOCOC(=O)OCCC 34a_100000210247_200000139673 [0,1,0,0,0,0|1,0,2]=4 3284 B11R0.81 C#CCSCOC(=O)OCCC 62a_100000038162_200000139673 [0,1,0,0,0,0|1,0,2]=4 3285 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,1,0,0,0,0|1,0,2]=4 3286 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,1,0,0,0,0|1,0,2]=4 3287 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,1,0,0,0,0|1,0,2]=4 3288 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,1,0,0,0,0|1,0,2]=4 3289 B11R0.81 C/C=C/COCC(=O)NCCC 34a_100016270725_100000183358 [0,1,0,0,0,0|1,0,2]=4 3290 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [0,1,0,0,0,0|0,0,2]=3 3291 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100000183358_100102629194 [0,1,0,0,0,0|1,0,2]=4 3292 B11R0.81 C/C=C/CSCC(=O)NCCC 62a_100102629194_100000183358 [0,1,0,0,0,0|1,0,2]=4 3293 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [0,1,0,0,0,0|0,0,2]=3 3294 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [0,1,0,0,0,0|0,0,2]=3 3295 B11R0.81 C=C(CNCCCF)OCOC 34a_100015189416_100000042856 [0,1,0,0,0,0|3,0,0]=4 3296 B11R0.81 C=C(COCCCBr)OCOC 34a_100011217188_100000042856 [0,1,0,0,0,0|3,0,0]=4 3297 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,1,0,0,0,0|2,0,0]=3 3298 B11R0.81 C=C(COCCCCl)OCOC 34a_100000230001_100000042856 [0,1,0,0,0,0|3,0,0]=4 3299 B11R0.81 C=C(COCCCF)OCOC 34a_100000759539_100000042856 [0,1,0,0,0,0|3,0,0]=4 3300 B11R0.81 C=C(COCCCN)OCOC 34a_100000182051_100000042856 [0,1,0,0,0,0|3,0,0]=4 3301 B11R0.81 C=C(COCCOC)OCOC 34a_100000210237_100000042856 [0,1,0,0,0,0|3,0,0]=4 3302 B11R0.81 C=C(COCCSC)OCOC 34a_100000230434_100000042856 [0,1,0,0,0,0|3,0,0]=4 3303 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,1,0,0,0,0|2,0,0]=3 3304 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,1,0,0,0,0|2,0,0]=3 3305 B11R0.81 C=C(CSCCCF)OCOC 62a_100000042856_100011934791 [0,1,0,0,0,0|3,0,0]=4 3306 B11R0.81 C=C(CSCCCF)OCOC 62a_100011934791_100000042856 [0,1,0,0,0,0|3,0,0]=4 3307 B11R0.81 C=C(CSCCCO)OCOC 62a_100000042856_100011215043 [0,1,0,0,0,0|3,0,0]=4 3308 B11R0.81 C=C(CSCCCO)OCOC 62a_100011215043_100000042856 [0,1,0,0,0,0|3,0,0]=4 3309 B11R0.81 C=C(CSCCOC)OCOC 62a_100000042856_100000233755 [0,1,0,0,0,0|3,0,0]=4 3310 B11R0.81 C=C(CSCCOC)OCOC 62a_100000233755_100000042856 [0,1,0,0,0,0|3,0,0]=4 3311 B11R0.81 C=C(CSCCSC)OCOC 62a_100000042856_100000751147 [0,1,0,0,0,0|3,0,0]=4 3312 B11R0.81 C=C(CSCCSC)OCOC 62a_100000212216_100000042856 [0,1,0,0,0,0|3,0,0]=4 3313 B11R0.81 C=C(CSCOCC)OCOC 62a_100000042856_100000739092 [0,1,0,0,0,0|3,0,0]=4 3314 B11R0.81 C=C(CSCOCC)OCOC 62a_100000739092_100000042856 [0,1,0,0,0,0|3,0,0]=4 3315 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,1,0,0,0,0|1,0,2]=4 3316 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,1,0,0,0,0|1,0,2]=4 3317 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,1,0,0,0,0|1,0,2]=4 3318 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,1,0,0,0,0|1,0,2]=4 3319 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,1,0,0,0,0|1,0,2]=4 3320 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,1,0,0,0,0|1,0,2]=4 3321 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,1,0,0,0,0|1,0,2]=4 3322 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,1,0,0,0,0|1,0,2]=4 3323 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,1,0,0,0,0|1,0,2]=4 3324 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,1,0,0,0,0|1,0,2]=4 3325 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,1,0,0,0,0|1,0,2]=4 3326 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,1,0,0,0,0|1,0,2]=4 3327 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,1,0,0,0,0|1,0,2]=4 3328 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,1,0,0,0,0|1,0,2]=4 3329 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,1,0,0,0,0|1,0,2]=4 3330 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,1,0,0,0,0|1,0,2]=4 3331 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,1,0,0,0,0|1,0,2]=4 3332 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,1,0,0,0,0|1,0,1]=3 3333 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,1,0,0,0,0|1,0,1]=3 3334 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,1,0,0,0,0|2,0,1]=4 3335 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,1,0,0,0,0|2,0,1]=4 3336 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,1,0,0,0,0|2,0,1]=4 3337 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,1,0,0,0,0|2,0,1]=4 3338 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,1,0,0,0,0|2,0,1]=4 3339 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,1,0,0,0,0|2,0,1]=4 3340 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,1,0,0,0,0|2,0,1]=4 3341 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,1,0,0,0,0|2,0,1]=4 3342 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,1,0,0,0,0|1,0,1]=3 3343 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,1,0,0,0,0|1,0,1]=3 3344 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,1,0,0,0,0|1,0,1]=3 3345 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,1,0,0,0,0|1,0,1]=3 3346 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,1,0,0,0,0|2,0,1]=4 3347 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,1,0,0,0,0|2,0,1]=4 3348 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,1,0,0,0,0|2,0,1]=4 3349 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,1,0,0,0,0|2,0,1]=4 3350 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,1,0,0,0,0|2,0,1]=4 3351 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,1,0,0,0,0|2,0,1]=4 3352 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,1,0,0,0,0|2,0,1]=4 3353 B11R0.81 C=CCCCNC(=O)CCCC 11a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3354 B11R0.81 C=CCCCNC(=O)CCCC 1626a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3355 B11R0.81 C=CCCCNC(=O)CCCC 240690a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3356 B11R0.81 C=CCCCNC(=O)CCCC 527a_100000700776_100000210183 [0,1,0,0,0,0|1,0,2]=4 3357 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3358 B11R0.81 C=CCCCNC(=O)NCCC 2708a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3359 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3360 B11R0.81 C=CCCCNC(=O)NCCC 273464a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3361 B11R0.81 C=CCCCNC(=O)NCCC 512a_100000700776_100020643023 [0,1,0,0,0,0|1,0,2]=4 3362 B11R0.81 C=CCCCNC(=O)NCCC 512a_100020643023_100000700776 [0,1,0,0,0,0|1,0,2]=4 3363 B11R0.81 C=CCCNCC(=O)NCCC 2230a_100000174927_100000754431 [0,1,0,0,0,0|1,0,2]=4 3364 B11R0.81 C=CCCNCC(=O)NCCC 2230a_100015191253_100000183358 [0,1,0,0,0,0|1,0,2]=4 3365 B11R0.81 C=CCCNCC(=O)OCCC 2230a_100015191253_200011215008 [0,1,0,0,0,0|0,0,2]=3 3366 B11R0.81 C=CCCOCC(=O)NCCC 34a_100011205117_100000183358 [0,1,0,0,0,0|1,0,2]=4 3367 B11R0.81 C=CCCOCC(=O)OCCC 34a_100011205117_200011215008 [0,1,0,0,0,0|0,0,2]=3 3368 B11R0.81 C=CCCSCC(=O)NCCC 62a_100000183358_100000754431 [0,1,0,0,0,0|1,0,2]=4 3369 B11R0.81 C=CCCSCC(=O)NCCC 62a_100000754431_100000183358 [0,1,0,0,0,0|1,0,2]=4 3370 B11R0.81 C=CCCSCC(=O)OCCC 62a_100000754431_200011215008 [0,1,0,0,0,0|0,0,2]=3 3371 B11R0.81 C=CCCSCC(=O)OCCC 62a_200011215008_100000754431 [0,1,0,0,0,0|0,0,2]=3 3372 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3373 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3374 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,1,0,0,0,0|1,0,2]=4 3375 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,1,0,0,0,0|1,0,2]=4 3376 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,1,0,0,0,0|1,0,2]=4 3377 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,1,0,0,0,0|1,0,2]=4 3378 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,1,0,0,0,0|1,0,2]=4 3379 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,1,0,0,0,0|1,0,2]=4 3380 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,1,0,0,0,0|1,0,2]=4 3381 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,1,0,0,0,0|1,0,2]=4 3382 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,1,0,0,0,0|1,0,2]=4 3383 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,1,0,0,0,0|1,0,2]=4 3384 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,1,0,0,0,0|1,0,2]=4 3385 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,1,0,0,0,0|1,0,2]=4 3386 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,1,0,0,0,0|1,0,2]=4 3387 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,1,0,0,0,0|1,0,2]=4 3388 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,1,0,0,0,0|1,0,2]=4 3389 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3390 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3391 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,1,0,0,0,0|1,0,2]=4 3392 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,1,0,0,0,0|1,0,2]=4 3393 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,1,0,0,0,0|1,0,2]=4 3394 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,1,0,0,0,0|0,0,2]=3 3395 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,1,0,0,0,0|0,0,2]=3 3396 B11R0.81 C=CCOC(=O)CNCCCF 2230a_100015189416_100000033060 [0,1,0,0,0,0|1,0,2]=4 3397 B11R0.81 C=CCOC(=O)CNCCCF 34a_100015189416_100000033060 [0,1,0,0,0,0|1,0,2]=4 3398 B11R0.81 C=CCOC(=O)CNCCOC 2230a_100000209980_100000033060 [0,1,0,0,0,0|1,0,2]=4 3399 B11R0.81 C=CCOC(=O)CNCCSC 2230a_100020590264_100000033060 [0,1,0,0,0,0|1,0,2]=4 3400 B11R0.81 C=CCOC(=O)COCCCBr 34a_100011217188_100000033060 [0,1,0,0,0,0|1,0,2]=4 3401 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,1,0,0,0,0|0,0,2]=3 3402 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,1,0,0,0,0|0,0,2]=3 3403 B11R0.81 C=CCOC(=O)COCCCCl 34a_100000230001_100000033060 [0,1,0,0,0,0|1,0,2]=4 3404 B11R0.81 C=CCOC(=O)COCCCF 34a_100000759539_100000033060 [0,1,0,0,0,0|1,0,2]=4 3405 B11R0.81 C=CCOC(=O)COCCCN 34a_100000182051_100000033060 [0,1,0,0,0,0|1,0,2]=4 3406 B11R0.81 C=CCOC(=O)COCCOC 34a_100000210237_100000033060 [0,1,0,0,0,0|1,0,2]=4 3407 B11R0.81 C=CCOC(=O)COCCSC 34a_100000230434_100000033060 [0,1,0,0,0,0|1,0,2]=4 3408 B11R0.81 C=CCOC(=O)COCCSC 7a_100000230434_100000033060 [0,1,0,0,0,0|1,0,2]=4 3409 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,1,0,0,0,0|0,0,2]=3 3410 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,1,0,0,0,0|0,0,2]=3 3411 B11R0.81 C=CCOC(=O)CSCCCF 62a_100000033060_100011934791 [0,1,0,0,0,0|1,0,2]=4 3412 B11R0.81 C=CCOC(=O)CSCCCF 62a_100011934791_100000033060 [0,1,0,0,0,0|1,0,2]=4 3413 B11R0.81 C=CCOC(=O)CSCCCO 62a_100000033060_100011215043 [0,1,0,0,0,0|1,0,2]=4 3414 B11R0.81 C=CCOC(=O)CSCCCO 62a_100011215043_100000033060 [0,1,0,0,0,0|1,0,2]=4 3415 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000033060_100000233755 [0,1,0,0,0,0|1,0,2]=4 3416 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000233755_100000033060 [0,1,0,0,0,0|1,0,2]=4 3417 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000033060_100000751147 [0,1,0,0,0,0|1,0,2]=4 3418 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000212216_100000033060 [0,1,0,0,0,0|1,0,2]=4 3419 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000033060_100000739092 [0,1,0,0,0,0|1,0,2]=4 3420 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000739092_100000033060 [0,1,0,0,0,0|1,0,2]=4 3421 B11R0.81 C=CCOCCC(=O)CCCC 1458a_200011217002_100000210211 [0,1,0,0,0,0|1,0,2]=4 3422 B11R0.81 C=CCOCCC(=O)NCCC 11a_100020643023_200011217002 [0,1,0,0,0,0|1,0,2]=4 3423 B11R0.81 C=CCOCCC(=O)NCCC 1626a_100020643023_200011217002 [0,1,0,0,0,0|1,0,2]=4 3424 B11R0.81 C=CCOCCC(=O)NCCC 240690a_100020643023_200011217002 [0,1,0,0,0,0|1,0,2]=4 3425 B11R0.81 C=CCOCCC(=O)NCCC 527a_100020643023_200011217002 [0,1,0,0,0,0|1,0,2]=4 3426 B11R0.81 C=CCOCOC(=O)OCCC 34a_200000210373_200000139673 [0,1,0,0,0,0|1,0,2]=4 3427 B11R0.81 C=CCSCOC(=O)OCCC 62a_100000210623_200000139673 [0,1,0,0,0,0|1,0,2]=4 3428 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,1,0,0,0,0|1,0,2]=4 3429 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,1,0,0,0,0|1,0,2]=4 3430 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,1,0,0,0,0|1,0,2]=4 3431 B11R0.81 CC#CCC(=O)CSCCCC 1458a_100000191162_100000748600 [0,1,0,0,0,0|1,0,2]=4 3432 B11R0.81 CC#CCNCC(=O)NCCC 2230a_100000174927_100000748600 [0,1,0,0,0,0|1,0,2]=4 3433 B11R0.81 CC#CCNCC(=O)NCCC 2230a_100000685387_100000183358 [0,1,0,0,0,0|1,0,2]=4 3434 B11R0.81 CC#CCNCC(=O)NCCC 34a_100000685387_100000183358 [0,1,0,0,0,0|1,0,2]=4 3435 B11R0.81 CC#CCNCC(=O)OCCC 2230a_100000685387_200011215008 [0,1,0,0,0,0|0,0,2]=3 3436 B11R0.81 CC#CCNCC(=O)OCCC 34a_100000685387_200011215008 [0,1,0,0,0,0|0,0,2]=3 3437 B11R0.81 CC#CCOCC(=O)NCCC 34a_100000761923_100000183358 [0,1,0,0,0,0|1,0,2]=4 3438 B11R0.81 CC#CCOCC(=O)OCCC 34a_100000761923_200011215008 [0,1,0,0,0,0|0,0,2]=3 3439 B11R0.81 CC#CCSCC(=O)NCCC 62a_100000183358_100000748600 [0,1,0,0,0,0|1,0,2]=4 3440 B11R0.81 CC#CCSCC(=O)NCCC 62a_100000748600_100000183358 [0,1,0,0,0,0|1,0,2]=4 3441 B11R0.81 CC#CCSCC(=O)OCCC 62a_100000748600_200011215008 [0,1,0,0,0,0|0,0,2]=3 3442 B11R0.81 CC#CCSCC(=O)OCCC 62a_200011215008_100000748600 [0,1,0,0,0,0|0,0,2]=3 3443 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,1,0,0,0,0|1,0,1]=3 3444 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,1,0,0,0,0|2,0,1]=4 3445 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,1,0,0,0,0|2,0,1]=4 3446 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,1,0,0,0,0|2,0,1]=4 3447 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,1,0,0,0,0|2,0,1]=4 3448 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,1,0,0,0,0|1,0,2]=4 3449 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,1,0,0,0,0|1,0,2]=4 3450 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,1,0,0,0,0|1,0,2]=4 3451 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,1,0,0,0,0|1,0,2]=4 3452 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,1,0,0,0,0|1,0,2]=4 3453 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,1,0,0,0,0|1,0,2]=4 3454 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,1,0,0,0,0|1,0,2]=4 3455 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,1,0,0,0,0|1,0,2]=4 3456 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,1,0,0,0,0|1,0,2]=4 3457 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,1,0,0,0,0|1,0,2]=4 3458 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,1,0,0,0,0|1,0,2]=4 3459 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 3460 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 3461 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 3462 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,1,0,0,0,0|1,0,2]=4 3463 B11R0.81 CC=CCNCC(=O)NCCC 2230a_100000174927_100000070051 [0,1,0,0,0,0|1,0,2]=4 3464 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000070051_100000183358 [0,1,0,0,0,0|1,0,2]=4 3465 B11R0.81 CC=CCSCC(=O)NCCC 62a_100000183358_100000070051 [0,1,0,0,0,0|1,0,2]=4 3466 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [0,1,0,0,0,0|0,0,2]=3 3467 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [0,1,0,0,0,0|0,0,2]=3 3468 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,1,0,0,0,0|2,0,1]=4 3469 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [0,1,0,0,0,0|1,0,2]=4 3470 B11R0.81 CCC#CC(=O)CCCCC#N 1458a_100011827653_100000211819 [0,1,0,0,0,0|1,0,2]=4 3471 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,1,0,0,0,0|1,0,1]=3 3472 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,1,0,0,0,0|1,0,1]=3 3473 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,1,0,0,0,0|1,0,1]=3 3474 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [0,1,0,0,0,0|1,0,1]=3 3475 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [0,1,0,0,0,0|1,0,1]=3 3476 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [0,1,0,0,0,0|1,0,1]=3 3477 B11R0.81 CCC#CC(=O)CCOCCO 1458a_100011827653_100011215305 [0,1,0,0,0,0|2,0,1]=4 3478 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,1,0,0,0,0|1,0,1]=3 3479 B11R0.81 CCC#CC(=O)NNCCCC 22a_100025702795_100011827653 [0,1,0,0,0,0|2,0,1]=4 3480 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,1,0,0,0,0|1,0,1]=3 3481 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,1,0,0,0,0|2,0,1]=4 3482 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,1,0,0,0,0|2,0,1]=4 3483 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,1,0,0,0,0|2,0,1]=4 3484 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,1,0,0,0,0|2,0,1]=4 3485 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,1,0,0,0,0|1,0,1]=3 3486 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,1,0,0,0,0|1,0,1]=3 3487 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,1,0,0,0,0|1,0,1]=3 3488 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,1,0,0,0,0|1,0,1]=3 3489 B11R0.81 CCC/C=C/CC(=O)NCCF 11a_100000724931_200016266809 [0,1,0,0,0,0|2,0,1]=4 3490 B11R0.81 CCC/C=C/CC(=O)NCCF 1626a_100000724931_200016266809 [0,1,0,0,0,0|2,0,1]=4 3491 B11R0.81 CCC/C=C/CC(=O)NCCF 240690a_100000724931_200016266809 [0,1,0,0,0,0|2,0,1]=4 3492 B11R0.81 CCC/C=C/CC(=O)NCCF 527a_100000724931_200016266809 [0,1,0,0,0,0|2,0,1]=4 3493 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,1,0,0,0,0|2,0,1]=4 3494 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,1,0,0,0,0|2,0,1]=4 3495 B11R0.81 CCC/C=C/CC(=O)NNCC 22a_100000756455_200016266809 [0,1,0,0,0,0|2,0,1]=4 3496 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [0,1,0,0,0,0|1,0,2]=4 3497 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,1,0,0,0,0|1,0,2]=4 3498 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,1,0,0,0,0|1,0,1]=3 3499 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,1,0,0,0,0|1,0,1]=3 3500 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,1,0,0,0,0|1,0,1]=3 3501 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,1,0,0,0,0|1,0,1]=3 3502 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,1,0,0,0,0|1,0,1]=3 3503 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,1,0,0,0,0|1,0,1]=3 3504 B11R0.81 CCC=CC(=O)CCOCCO 1458a_100000212282_100011215305 [0,1,0,0,0,0|2,0,1]=4 3505 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,1,0,0,0,0|1,0,1]=3 3506 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3507 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3508 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,1,0,0,0,0|1,0,1]=3 3509 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,1,0,0,0,0|2,0,1]=4 3510 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,1,0,0,0,0|2,0,1]=4 3511 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,1,0,0,0,0|2,0,1]=4 3512 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3513 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3514 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,1,0,0,0,0|2,0,1]=4 3515 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,1,0,0,0,0|2,0,1]=4 3516 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,1,0,0,0,0|2,0,1]=4 3517 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,1,0,0,0,0|2,0,1]=4 3518 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3519 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3520 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,1,0,0,0,0|2,0,1]=4 3521 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,1,0,0,0,0|2,0,1]=4 3522 B11R0.81 CCCC=NNC(=O)CCCC 4a_100000189769_100000185831 [0,1,0,0,0,0|2,0,1]=4 3523 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,1,0,0,0,0|1,0,1]=3 3524 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,1,0,0,0,0|1,0,0]=2 3525 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,1,0,0,0,0|1,0,0]=2 3526 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,1,0,0,0,0|1,0,0]=2 3527 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,1,0,0,0,0|1,0,0]=2 3528 B11R0.81 CCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210211 [0,1,0,0,0,0|3,0,0]=4 3529 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,1,0,0,0,0|1,0,0]=2 3530 B11R0.81 CCCCC(=O)CCOCC#N 1458a_100000210183_200000047693 [0,1,0,0,0,0|2,0,1]=4 3531 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,1,0,0,0,0|1,0,0]=2 3532 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,1,0,0,0,0|2,0,0]=3 3533 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,1,0,0,0,0|2,0,0]=3 3534 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,1,0,0,0,0|2,0,0]=3 3535 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,1,0,0,0,0|2,0,0]=3 3536 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,1,0,0,0,0|2,0,0]=3 3537 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3538 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3539 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,1,0,0,0,0|2,0,0]=3 3540 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3541 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3542 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3543 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,1,0,0,0,0|2,0,0]=3 3544 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3545 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,1,0,0,0,0|2,0,0]=3 3546 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3547 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,1,0,0,0,0|2,0,0]=3 3548 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3549 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3550 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3551 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,1,0,0,0,0|2,0,0]=3 3552 B11R0.81 CCCCC(=O)NNCCOC 22a_100000741390_100000210183 [0,1,0,0,0,0|3,0,0]=4 3553 B11R0.81 CCCCC(C)CCCCOC 34a_200011021034_200000210301 [0,1,0,0,0,0|2,0,1]=4 3554 B11R0.81 CCCCC(C)CCCCOC 7a_200011021034_200000210301 [0,1,0,0,0,0|2,0,1]=4 3555 B11R0.81 CCCCC(C)CCCCO[13CH3] 34a_200011021034_200025704644 [0,1,0,0,0,0|2,0,1]=4 3556 B11R0.81 CCCCC(C)CCCCO[13CH3] 7a_200011021034_200025704644 [0,1,0,0,0,0|2,0,1]=4 3557 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,1,0,0,0,0|1,0,1]=3 3558 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,1,0,0,0,0|2,0,1]=4 3559 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,1,0,0,0,0|2,0,1]=4 3560 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,1,0,0,0,0|2,0,1]=4 3561 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,1,0,0,0,0|2,0,1]=4 3562 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3563 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3564 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,1,0,0,0,0|1,0,1]=3 3565 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3566 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3567 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,1,0,0,0,0|2,0,1]=4 3568 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,1,0,0,0,0|2,0,1]=4 3569 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [0,1,0,0,0,0|2,0,1]=4 3570 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,1,0,0,0,0|3,0,0]=4 3571 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,1,0,0,0,0|2,0,1]=4 3572 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,1,0,0,0,0|2,0,1]=4 3573 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,1,0,0,0,0|2,0,1]=4 3574 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,1,0,0,0,0|2,0,1]=4 3575 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,1,0,0,0,0|1,0,0]=2 3576 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,1,0,0,0,0|1,0,0]=2 3577 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,1,0,0,0,0|2,0,0]=3 3578 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,1,0,0,0,0|2,0,0]=3 3579 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,1,0,0,0,0|2,0,0]=3 3580 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,1,0,0,0,0|2,0,0]=3 3581 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,1,0,0,0,0|2,0,0]=3 3582 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,1,0,0,0,0|2,0,0]=3 3583 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,1,0,0,0,0|2,0,0]=3 3584 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,1,0,0,0,0|2,0,0]=3 3585 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 3586 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,1,0,0,0,0|2,0,1]=4 3587 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3588 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3589 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3590 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,1,0,0,0,0|1,0,0]=2 3591 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3592 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3593 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3594 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,1,0,0,0,0|2,0,0]=3 3595 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,1,0,0,0,0|2,0,0]=3 3596 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,1,0,0,0,0|2,0,0]=3 3597 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,1,0,0,0,0|2,0,0]=3 3598 B11R0.81 CCCCCCC(C)NCCC 2230a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3599 B11R0.81 CCCCCCC(C)NCCC 270004a_100020643023_100000210826 [0,1,0,0,0,0|2,0,1]=4 3600 B11R0.81 CCCCCCC(C)NCCC 34a_100000210919_100000210303 [0,1,0,0,0,0|2,0,1]=4 3601 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,1,0,0,0,0|2,0,1]=4 3602 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,1,0,0,0,0|1,0,1]=3 3603 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,1,0,0,0,0|1,0,1]=3 3604 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,1,0,0,0,0|1,0,1]=3 3605 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,1,0,0,0,0|2,0,1]=4 3606 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,1,0,0,0,0|2,0,1]=4 3607 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,1,0,0,0,0|2,0,1]=4 3608 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,1,0,0,0,0|2,0,1]=4 3609 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,1,0,0,0,0|2,0,1]=4 3610 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,1,0,0,0,0|2,0,1]=4 3611 B11R0.81 CCCCCCC(C)SCCC 62a_100000210303_100011215978 [0,1,0,0,0,0|1,1,1]=4 3612 B11R0.81 CCCCCCC(C)SCCC 62a_100011215978_100000210303 [0,1,0,0,0,0|1,1,1]=4 3613 B11R0.81 CCCCCCN(C)CCCC 2230a_100000207549_100000210314 [0,1,0,0,0,0|3,0,0]=4 3614 B11R0.81 CCCCCCN(C)CCCC 2230a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3615 B11R0.81 CCCCCCN(C)CCCC 2230a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3616 B11R0.81 CCCCCCN(C)CCCC 269982a_100000207549_100000210757 [0,1,0,0,0,0|3,0,0]=4 3617 B11R0.81 CCCCCCN(C)CCCC 269982a_106256046315_100000210211 [0,1,0,0,0,0|3,0,0]=4 3618 B11R0.81 CCCCCCN(C)CCCC 269982a_200000207677_200000210301 [0,1,0,0,0,0|3,0,0]=4 3619 B11R0.81 CCCCCCN([13CH3])CCCC 2230a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3620 B11R0.81 CCCCCCN([13CH3])CCCC 269982a_200000207677_200025704644 [0,1,0,0,0,0|3,0,0]=4 3621 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,1,0,0,0,0|2,0,1]=4 3622 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,1,0,0,0,0|2,0,1]=4 3623 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3624 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3625 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3626 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,1,0,0,0,0|2,0,1]=4 3627 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3628 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3629 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3630 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,1,0,0,0,0|1,0,0]=2 3631 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3632 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3633 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3634 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,1,0,0,0,0|2,0,0]=3 3635 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3636 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3637 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3638 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,1,0,0,0,0|2,0,0]=3 3639 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,1,0,0,0,0|2,0,0]=3 3640 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,1,0,0,0,0|2,0,0]=3 3641 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,1,0,0,0,0|2,0,0]=3 3642 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,1,0,0,0,0|2,0,0]=3 3643 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,1,0,0,0,0|2,0,0]=3 3644 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,1,0,0,0,0|2,0,0]=3 3645 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,1,0,0,0,0|2,0,0]=3 3646 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,1,0,0,0,0|2,0,0]=3 3647 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,1,0,0,0,0|2,0,0]=3 3648 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,1,0,0,0,0|2,0,0]=3 3649 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,1,0,0,0,0|2,0,0]=3 3650 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,1,0,0,0,0|2,0,0]=3 3651 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,1,0,0,0,0|3,0,0]=4 3652 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,1,0,0,0,0|3,0,0]=4 3653 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3654 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3655 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3656 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,1,0,0,0,0|2,0,1]=4 3657 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,1,0,0,0,0|2,0,1]=4 3658 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3659 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3660 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3661 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3662 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,1,0,0,0,0|1,0,0]=2 3663 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,1,0,0,0,0|1,0,0]=2 3664 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3665 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3666 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,1,0,0,0,0|2,0,0]=3 3667 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,1,0,0,0,0|2,0,0]=3 3668 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3669 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3670 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,1,0,0,0,0|2,0,0]=3 3671 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,1,0,0,0,0|2,0,0]=3 3672 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3673 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,1,0,0,0,0|2,0,0]=3 3674 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,1,0,0,0,0|2,0,0]=3 3675 B11R0.81 CCCCCNC(C)CCCC 2230a_100000126638_100000210326 [0,1,0,0,0,0|2,0,1]=4 3676 B11R0.81 CCCCCNC(C)CCCC 2230a_100000209983_200011215066 [0,1,0,0,0,0|2,0,1]=4 3677 B11R0.81 CCCCCNC(C)CCCC 270004a_100000209983_100000210087 [0,1,0,0,0,0|2,0,1]=4 3678 B11R0.81 CCCCCOC(C)CCCC 34a_100000210253_200011215066 [0,1,0,0,0,0|2,0,1]=4 3679 B11R0.81 CCCCCOC(C)CCCC 34a_100000687866_100000718602 [0,1,0,0,0,0|2,0,1]=4 3680 B11R0.81 CCCCCOC(C)CCCC 7a_100000210253_200011215066 [0,1,0,0,0,0|2,0,1]=4 3681 B11R0.81 CCCCCOC(C)CCCC 7a_100000687866_100000210326 [0,1,0,0,0,0|2,0,1]=4 3682 B11R0.81 CCCCCSC(C)CCCC 62a_100000210326_200011215066 [0,1,0,0,0,0|2,0,1]=4 3683 B11R0.81 CCCCCSC(C)CCCC 62a_200011215066_100000210326 [0,1,0,0,0,0|2,0,1]=4 3684 B11R0.81 CCCCN(C)CCCCCF 2230a_100000207549_100000729378 [0,1,0,0,0,0|3,0,0]=4 3685 B11R0.81 CCCCN(C)CCCCCF 269982a_100000207549_100000729378 [0,1,0,0,0,0|3,0,0]=4 3686 B11R0.81 CCCCN(C)CCCCCO 2230a_100000207549_100000746330 [0,1,0,0,0,0|3,0,0]=4 3687 B11R0.81 CCCCN(C)CCCCCO 2230a_100000722520_100000210211 [0,1,0,0,0,0|3,0,0]=4 3688 B11R0.81 CCCCN(C)CCCCCO 269982a_100000207549_100000746330 [0,1,0,0,0,0|3,0,0]=4 3689 B11R0.81 CCCCN(C)CCCCCO 269982a_100000722520_100000210211 [0,1,0,0,0,0|3,0,0]=4 3690 B11R0.81 CCCCN(C)CCCCOC 2230a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 3691 B11R0.81 CCCCN(C)CCCCOC 269982a_100000207549_100000730899 [0,1,0,0,0,0|3,0,0]=4 3692 B11R0.81 CCCCN(C)CCCOCC 2230a_100000207549_100012232248 [0,1,0,0,0,0|3,0,0]=4 3693 B11R0.81 CCCCN(C)CCCOCC 269982a_100000207549_100012232248 [0,1,0,0,0,0|3,0,0]=4 3694 B11R0.81 CCCCN(C)CCOCCC 2230a_100000207549_100011215938 [0,1,0,0,0,0|3,0,0]=4 3695 B11R0.81 CCCCN(C)CCOCCC 269982a_100000207549_100011215938 [0,1,0,0,0,0|3,0,0]=4 3696 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,1,0,0,0,0|2,0,1]=4 3697 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,1,0,0,0,0|2,0,1]=4 3698 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,1,0,0,0,0|1,0,0]=2 3699 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,1,0,0,0,0|1,0,0]=2 3700 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,1,0,0,0,0|1,0,0]=2 3701 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,1,0,0,0,0|2,0,0]=3 3702 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,1,0,0,0,0|0,0,0]=1 3703 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,1,0,0,0,0|0,0,0]=1 3704 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,1,0,0,0,0|1,0,1]=3 3705 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,1,0,0,0,0|1,0,1]=3 3706 B11R0.81 CCCCNN=C(C)CCCC 4a_100025702795_100000210087 [0,1,0,0,0,0|3,0,0]=4 3707 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,1,0,0,0,0|2,0,0]=3 3708 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,1,0,0,0,0|3,0,0]=4 3709 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,1,0,0,0,0|3,0,0]=4 3710 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,1,0,0,0,0|3,0,0]=4 3711 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,1,0,0,0,0|3,0,0]=4 3712 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,1,0,0,0,0|2,0,0]=3 3713 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,1,0,0,0,0|2,0,0]=3 3714 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,1,0,0,0,0|2,0,0]=3 3715 B11R0.81 CCCCNNC(=O)NCCF 273464a_100000724931_100025702795 [0,1,0,0,0,0|3,0,0]=4 3716 B11R0.81 CCCCNNC(=O)NCCF 512a_100025702795_100000724931 [0,1,0,0,0,0|3,0,0]=4 3717 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,1,0,0,0,0|3,0,0]=4 3718 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,1,0,0,0,0|3,0,0]=4 3719 B11R0.81 CCCCNNC(=O)NNCC 512a_100000756455_100025702795 [0,1,0,0,0,0|3,0,0]=4 3720 B11R0.81 CCCCNNC(=O)NNCC 512a_100025702795_100000756455 [0,1,0,0,0,0|3,0,0]=4 3721 B11R0.81 CCCCOCC(=O)C#CCO 1458a_100000049017_100011995733 [0,1,0,0,0,0|2,0,1]=4 3722 B11R0.81 CCCCOCC(=O)C=COC 1458a_100016268678_100011995733 [0,1,0,0,0,0|2,0,1]=4 3723 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,1,0,0,0,0|2,0,1]=4 3724 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,1,0,0,0,0|2,0,1]=4 3725 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,1,0,0,0,0|1,0,0]=2 3726 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,1,0,0,0,0|1,0,0]=2 3727 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,1,0,0,0,0|2,0,0]=3 3728 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,1,0,0,0,0|2,0,0]=3 3729 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,1,0,0,0,0|2,0,0]=3 3730 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,1,0,0,0,0|2,0,0]=3 3731 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,1,0,0,0,0|2,0,0]=3 3732 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,1,0,0,0,0|2,0,0]=3 3733 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,1,0,0,0,0|2,0,0]=3 3734 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,1,0,0,0,0|2,0,0]=3 3735 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 3736 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,1,0,0,0,0|2,0,1]=4 3737 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,1,0,0,0,0|2,0,1]=4 3738 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,1,0,0,0,0|1,0,0]=2 3739 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,1,0,0,0,0|1,0,0]=2 3740 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,1,0,0,0,0|1,0,0]=2 3741 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,1,0,0,0,0|1,0,0]=2 3742 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,1,0,0,0,0|1,0,0]=2 3743 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,1,0,0,0,0|1,0,0]=2 3744 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 3745 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 3746 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 3747 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,1,0,0,0,0|2,0,0]=3 3748 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,1,0,0,0,0|2,0,0]=3 3749 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,1,0,0,0,0|2,0,0]=3 3750 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,1,0,0,0,0|2,0,0]=3 3751 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,1,0,0,0,0|0,0,0]=1 3752 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,1,0,0,0,0|0,0,0]=1 3753 B11R0.81 CCCCOCC(C)CCCC 34a_100011995851_100000210210 [0,1,0,0,0,0|2,0,1]=4 3754 B11R0.81 CCCCOCC(C)CCCC 7a_100011995851_100000210211 [0,1,0,0,0,0|2,0,1]=4 3755 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,1,0,0,0,0|1,0,1]=3 3756 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,1,0,0,0,0|1,0,1]=3 3757 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,1,0,0,0,0|2,0,1]=4 3758 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,1,0,0,0,0|2,0,1]=4 3759 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,1,0,0,0,0|2,0,1]=4 3760 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,1,0,0,0,0|2,0,1]=4 3761 B11R0.81 CCCCOCC(C)OCSC 34a_100011217071_100011218213 [0,1,0,0,0,0|2,0,1]=4 3762 B11R0.81 CCCCOCN(C)CCCC 2230a_100000207549_100011995733 [0,1,0,0,0,0|3,0,0]=4 3763 B11R0.81 CCCCOCN(C)CCCC 269982a_100000207549_100011995733 [0,1,0,0,0,0|3,0,0]=4 3764 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,1,0,0,0,0|2,0,1]=4 3765 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,1,0,0,0,0|2,0,1]=4 3766 B11R0.81 CCCCOC[C@@H](N)CCCC 34a_100011934283_100000210210 [0,1,0,0,0,0|2,0,1]=4 3767 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,1,0,0,0,0|2,0,1]=4 3768 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,1,0,0,0,0|1,0,0]=2 3769 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,1,0,0,0,0|2,0,0]=3 3770 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,1,0,0,0,0|2,0,0]=3 3771 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,1,0,0,0,0|2,0,0]=3 3772 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,1,0,0,0,0|2,0,0]=3 3773 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 3774 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,1,0,0,0,0|2,0,1]=4 3775 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,1,0,0,0,0|2,0,1]=4 3776 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,1,0,0,0,0|2,0,1]=4 3777 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,1,0,0,0,0|1,0,0]=2 3778 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,1,0,0,0,0|1,0,0]=2 3779 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,1,0,0,0,0|1,0,0]=2 3780 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,1,0,0,0,0|1,0,0]=2 3781 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,1,0,0,0,0|1,0,0]=2 3782 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,1,0,0,0,0|1,0,0]=2 3783 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 3784 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 3785 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 3786 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,1,0,0,0,0|2,0,0]=3 3787 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,1,0,0,0,0|2,0,0]=3 3788 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,1,0,0,0,0|2,0,0]=3 3789 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [0,1,0,0,0,0|2,0,0]=3 3790 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,1,0,0,0,0|0,0,0]=1 3791 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,1,0,0,0,0|0,0,0]=1 3792 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,1,0,0,0,0|1,0,0]=2 3793 B11R0.81 CCCNC(=O)CCCN=[N+]=[N-] 11a_100020643023_100010262590 [0,1,0,0,0,0|3,0,0]=4 3794 B11R0.81 CCCNC(=O)CCCN=[N+]=[N-] 240690a_100020643023_100010262590 [0,1,0,0,0,0|3,0,0]=4 3795 B11R0.81 CCCNC(=O)CCCN=[N+]=[N-] 527a_100020643023_100010262590 [0,1,0,0,0,0|3,0,0]=4 3796 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,1,0,0,0,0|1,0,0]=2 3797 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,1,0,0,0,0|1,0,0]=2 3798 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,1,0,0,0,0|1,0,0]=2 3799 B11R0.81 CCCNC(=O)CCCSCF 62a_100011194427_100015361967 [0,1,0,0,0,0|2,0,0]=3 3800 B11R0.81 CCCNC(=O)CCCSCF 62a_100015361967_100011194427 [0,1,0,0,0,0|2,0,0]=3 3801 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,1,0,0,0,0|2,0,0]=3 3802 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,1,0,0,0,0|2,0,0]=3 3803 B11R0.81 CCCNC(=O)CNCCC#N 2230a_100000174927_100011215226 [0,1,0,0,0,0|2,0,1]=4 3804 B11R0.81 CCCNC(=O)CNCCCF 2230a_100000174927_100011934791 [0,1,0,0,0,0|2,0,0]=3 3805 B11R0.81 CCCNC(=O)CNCCCF 2230a_100015189416_100000183358 [0,1,0,0,0,0|2,0,0]=3 3806 B11R0.81 CCCNC(=O)CNCCCF 34a_100015189416_100000183358 [0,1,0,0,0,0|2,0,0]=3 3807 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,1,0,0,0,0|2,0,0]=3 3808 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000174927_100011201679 [0,1,0,0,0,0|2,0,0]=3 3809 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000209980_100000183358 [0,1,0,0,0,0|2,0,0]=3 3810 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [0,1,0,0,0,0|2,0,0]=3 3811 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [0,1,0,0,0,0|2,0,0]=3 3812 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,1,0,0,0,0|2,0,0]=3 3813 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,1,0,0,0,0|2,0,0]=3 3814 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,1,0,0,0,0|2,0,0]=3 3815 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,1,0,0,0,0|2,0,0]=3 3816 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,1,0,0,0,0|2,0,0]=3 3817 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,1,0,0,0,0|2,0,0]=3 3818 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,1,0,0,0,0|2,0,0]=3 3819 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,1,0,0,0,0|2,0,0]=3 3820 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,1,0,0,0,0|2,0,0]=3 3821 B11R0.81 CCCNC(=O)COCCON 34a_100000700252_100000183358 [0,1,0,0,0,0|3,0,0]=4 3822 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,1,0,0,0,0|2,0,0]=3 3823 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,1,0,0,0,0|2,0,0]=3 3824 B11R0.81 CCCNC(=O)CSCCC#N 62a_100000183358_100011215226 [0,1,0,0,0,0|2,0,1]=4 3825 B11R0.81 CCCNC(=O)CSCCC#N 62a_100011215226_100000183358 [0,1,0,0,0,0|2,0,1]=4 3826 B11R0.81 CCCNC(=O)CSCCCF 62a_100000183358_100011934791 [0,1,0,0,0,0|2,0,0]=3 3827 B11R0.81 CCCNC(=O)CSCCCF 62a_100011934791_100000183358 [0,1,0,0,0,0|2,0,0]=3 3828 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,1,0,0,0,0|2,0,0]=3 3829 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,1,0,0,0,0|2,0,0]=3 3830 B11R0.81 CCCNC(=O)CSCCOC 62a_100000183358_100000233755 [0,1,0,0,0,0|2,0,0]=3 3831 B11R0.81 CCCNC(=O)CSCCOC 62a_100000233755_100000183358 [0,1,0,0,0,0|2,0,0]=3 3832 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [0,1,0,0,0,0|2,0,0]=3 3833 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [0,1,0,0,0,0|2,0,0]=3 3834 B11R0.81 CCCNC(=O)CSCOCC 62a_100000183358_100000739092 [0,1,0,0,0,0|2,0,0]=3 3835 B11R0.81 CCCNC(=O)CSCOCC 62a_100000739092_100000183358 [0,1,0,0,0,0|2,0,0]=3 3836 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 3837 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 3838 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 3839 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 3840 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,1,0,0,0,0|2,0,0]=3 3841 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,1,0,0,0,0|2,0,0]=3 3842 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 3843 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,1,0,0,0,0|2,0,0]=3 3844 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 3845 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,1,0,0,0,0|2,0,0]=3 3846 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,1,0,0,0,0|2,0,0]=3 3847 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 3848 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 3849 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 3850 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 3851 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,1,0,0,0,0|2,0,0]=3 3852 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,1,0,0,0,0|2,0,0]=3 3853 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,1,0,0,0,0|2,0,0]=3 3854 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,1,0,0,0,0|2,0,0]=3 3855 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,1,0,0,0,0|2,0,0]=3 3856 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,1,0,0,0,0|2,0,0]=3 3857 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,1,0,0,0,0|2,0,0]=3 3858 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,1,0,0,0,0|2,0,0]=3 3859 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 3860 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 3861 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 3862 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 3863 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,1,0,0,0,0|2,0,0]=3 3864 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,1,0,0,0,0|2,0,0]=3 3865 B11R0.81 CCCNC(=O)NNCCOC 273464a_100020643023_100000741390 [0,1,0,0,0,0|3,0,0]=4 3866 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,1,0,0,0,0|1,0,0]=2 3867 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,1,0,0,0,0|1,0,0]=2 3868 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,1,0,0,0,0|1,0,0]=2 3869 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,1,0,0,0,0|1,0,0]=2 3870 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,1,0,0,0,0|1,0,0]=2 3871 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,1,0,0,0,0|1,0,0]=2 3872 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,1,0,0,0,0|1,0,0]=2 3873 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,1,0,0,0,0|1,0,0]=2 3874 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,1,0,0,0,0|1,0,0]=2 3875 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [0,1,0,0,0,0|2,0,0]=3 3876 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,1,0,0,0,0|1,0,0]=2 3877 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,1,0,0,0,0|1,0,0]=2 3878 B11R0.81 CCCOC(=O)CSCCC#N 62a_100011215226_200011215008 [0,1,0,0,0,0|1,0,1]=3 3879 B11R0.81 CCCOC(=O)CSCCC#N 62a_200011215008_100011215226 [0,1,0,0,0,0|1,0,1]=3 3880 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,1,0,0,0,0|1,0,0]=2 3881 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,1,0,0,0,0|1,0,0]=2 3882 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,1,0,0,0,0|1,0,0]=2 3883 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,1,0,0,0,0|1,0,0]=2 3884 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,1,0,0,0,0|1,0,0]=2 3885 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,1,0,0,0,0|1,0,0]=2 3886 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,1,0,0,0,0|1,0,0]=2 3887 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,1,0,0,0,0|1,0,0]=2 3888 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,1,0,0,0,0|1,0,0]=2 3889 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,1,0,0,0,0|1,0,0]=2 3890 B11R0.81 CCCOC(=O)CSCSC#N 62a_100000211825_200011215008 [0,1,0,0,0,0|2,0,1]=4 3891 B11R0.81 CCCOC(=O)CSCSC#N 62a_200011215008_100000211825 [0,1,0,0,0,0|2,0,1]=4 3892 B11R0.81 CCCOC(=O)OCNCCF 34a_100000724931_200000139673 [0,1,0,0,0,0|2,0,0]=3 3893 B11R0.81 CCCOC(=O)OCNCCO 34a_100016990907_200000139673 [0,1,0,0,0,0|2,0,0]=3 3894 B11R0.81 CCCOC(=O)OCOCCBr 34a_100000211926_200000139673 [0,1,0,0,0,0|2,0,0]=3 3895 B11R0.81 CCCOC(=O)OCOCCN 34a_100000210304_200000139673 [0,1,0,0,0,0|2,0,0]=3 3896 B11R0.81 CCCOC(=O)OCSCC#N 62a_100011215382_200000139673 [0,1,0,0,0,0|2,0,1]=4 3897 B11R0.81 CCCOC(=O)OCSCC=O 62a_200015260668_200000139673 [0,1,0,0,0,0|2,0,1]=4 3898 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,1,0,0,0,0|1,0,0]=2 3899 B11R0.81 CCCOC(=O)OCSCCF 62a_100011217306_200000139673 [0,1,0,0,0,0|2,0,0]=3 3900 B11R0.81 CCCOC(=O)OCSCCO 62a_100000211926_200000139673 [0,1,0,0,0,0|2,0,0]=3 3901 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [0,1,0,0,0,0|2,0,0]=3 3902 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [0,1,0,0,0,0|2,0,0]=3 3903 B11R0.81 CCCOC(C)CNCCCF 2230a_100015185124_100011934791 [0,1,0,0,0,0|2,0,1]=4 3904 B11R0.81 CCCOC(C)CNCCCF 34a_100015185124_100011934791 [0,1,0,0,0,0|2,0,1]=4 3905 B11R0.81 CCCOC(C)CNCCCO 2230a_100015185124_100000230001 [0,1,0,0,0,0|2,0,1]=4 3906 B11R0.81 CCCOC(C)CNCCCO 34a_100015185124_100000230001 [0,1,0,0,0,0|2,0,1]=4 3907 B11R0.81 CCCOC(C)CNCCOC 2230a_100015185124_100011201679 [0,1,0,0,0,0|2,0,1]=4 3908 B11R0.81 CCCOC(C)CNCCOC 34a_100015185124_100011201679 [0,1,0,0,0,0|2,0,1]=4 3909 B11R0.81 CCCOC(C)CNCCSC 2230a_100015185124_100000751147 [0,1,0,0,0,0|2,0,1]=4 3910 B11R0.81 CCCOC(C)CNCCSC 34a_100015185124_100000212216 [0,1,0,0,0,0|2,0,1]=4 3911 B11R0.81 CCCOCCC(=O)C#CCO 1458a_100000049017_100011215938 [0,1,0,0,0,0|2,0,1]=4 3912 B11R0.81 CCCOCCC(=O)C=COC 1458a_100016268678_100011215938 [0,1,0,0,0,0|2,0,1]=4 3913 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,1,0,0,0,0|2,0,1]=4 3914 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,1,0,0,0,0|2,0,0]=3 3915 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,1,0,0,0,0|2,0,0]=3 3916 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,1,0,0,0,0|2,0,0]=3 3917 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,1,0,0,0,0|2,0,0]=3 3918 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,1,0,0,0,0|1,0,0]=2 3919 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,1,0,0,0,0|3,0,0]=4 3920 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,1,0,0,0,0|3,0,0]=4 3921 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,1,0,0,0,0|2,0,0]=3 3922 B11R0.81 CCNNC(=O)CCOCCO 22a_100000756455_100011229844 [0,1,0,0,0,0|3,0,0]=4 3923 B11R0.81 CCNNC(=O)COCCOC 22a_100000756455_100000211095 [0,1,0,0,0,0|3,0,0]=4 3924 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 3925 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,1,0,0,0,0|3,0,0]=4 3926 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,1,0,0,0,0|3,0,0]=4 3927 B11R0.81 CCNNC(=O)NCCCOC 273464a_100150723488_100000756455 [0,1,0,0,0,0|3,0,0]=4 3928 B11R0.81 CCNNC(=O)NCCCOC 512a_100000756455_100150723488 [0,1,0,0,0,0|3,0,0]=4 3929 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 3930 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [0,1,0,0,0,0|3,0,0]=4 3931 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [0,1,0,0,0,0|3,0,0]=4 3932 B11R0.81 CCNNC(=O)NCCOCC 273464a_102516460346_100000756455 [0,1,0,0,0,0|3,0,0]=4 3933 B11R0.81 CCNNC(=O)NCCOCC 512a_100000756455_100011200944 [0,1,0,0,0,0|3,0,0]=4 3934 B11R0.81 CCNNC(=O)NCCOCC 512a_100011200944_100000756455 [0,1,0,0,0,0|3,0,0]=4 3935 B11R0.81 CCNNC(=O)NCCSCC 273464a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 3936 B11R0.81 CCNNC(=O)NCCSCC 512a_100000106463_100000756455 [0,1,0,0,0,0|3,0,0]=4 3937 B11R0.81 CCNNC(=O)NCCSCC 512a_100000756455_100000106463 [0,1,0,0,0,0|3,0,0]=4 3938 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,1,0,0,0,0|2,0,1]=4 3939 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,1,0,0,0,0|2,0,0]=3 3940 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,1,0,0,0,0|2,0,0]=3 3941 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,1,0,0,0,0|2,0,0]=3 3942 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,1,0,0,0,0|3,0,0]=4 3943 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,1,0,0,0,0|3,0,0]=4 3944 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,1,0,0,0,0|3,0,0]=4 3945 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,1,0,0,0,0|3,0,0]=4 3946 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,1,0,0,0,0|3,0,0]=4 3947 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,1,0,0,0,0|3,0,0]=4 3948 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,1,0,0,0,0|3,0,0]=4 3949 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,1,0,0,0,0|3,0,0]=4 3950 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,1,0,0,0,0|3,0,0]=4 3951 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,1,0,0,0,0|3,0,0]=4 3952 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,1,0,0,0,0|3,0,0]=4 3953 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,1,0,0,0,0|3,0,0]=4 3954 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,1,0,0,0,0|3,0,0]=4 3955 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,1,0,0,0,0|3,0,0]=4 3956 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,1,0,0,0,0|3,0,0]=4 3957 B11R0.81 CCOCCCC(=O)C#CCO 1458a_100000049017_100012232248 [0,1,0,0,0,0|2,0,1]=4 3958 B11R0.81 CCOCCCC(=O)C=COC 1458a_100016268678_100012232248 [0,1,0,0,0,0|2,0,1]=4 3959 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,1,0,0,0,0|2,0,1]=4 3960 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,1,0,0,0,0|2,0,0]=3 3961 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,1,0,0,0,0|2,0,0]=3 3962 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,1,0,0,0,0|2,0,0]=3 3963 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,1,0,0,0,0|2,0,0]=3 3964 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 3965 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,1,0,0,0,0|3,0,0]=4 3966 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 3967 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,1,0,0,0,0|3,0,0]=4 3968 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 3969 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,1,0,0,0,0|3,0,0]=4 3970 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 3971 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,1,0,0,0,0|3,0,0]=4 3972 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,1,0,0,0,0|3,0,0]=4 3973 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,1,0,0,0,0|3,0,0]=4 3974 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,1,0,0,0,0|3,0,0]=4 3975 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,1,0,0,0,0|3,0,0]=4 3976 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,1,0,0,0,0|3,0,0]=4 3977 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,1,0,0,0,0|3,0,0]=4 3978 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,1,0,0,0,0|3,0,0]=4 3979 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,1,0,0,0,0|3,0,0]=4 3980 B11R0.81 CCOCCNC(=O)NCCF 2708a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 3981 B11R0.81 CCOCCNC(=O)NCCF 273464a_100000724931_102516460346 [0,1,0,0,0,0|3,0,0]=4 3982 B11R0.81 CCOCCNC(=O)NCCF 273464a_102516460346_100000724931 [0,1,0,0,0,0|3,0,0]=4 3983 B11R0.81 CCOCCNC(=O)NCCF 512a_100011200944_100000724931 [0,1,0,0,0,0|3,0,0]=4 3984 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 3985 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,1,0,0,0,0|3,0,0]=4 3986 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,1,0,0,0,0|3,0,0]=4 3987 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,1,0,0,0,0|3,0,0]=4 3988 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,1,0,0,0,0|3,0,0]=4 3989 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,1,0,0,0,0|3,0,0]=4 3990 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,1,0,0,0,0|3,0,0]=4 3991 B11R0.81 CCSCC(=O)CCCCC#N 1458a_100000230394_100000211819 [0,1,0,0,0,0|2,0,1]=4 3992 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,1,0,0,0,0|2,0,0]=3 3993 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,1,0,0,0,0|2,0,0]=3 3994 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,1,0,0,0,0|2,0,0]=3 3995 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,1,0,0,0,0|3,0,0]=4 3996 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,1,0,0,0,0|3,0,0]=4 3997 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,1,0,0,0,0|3,0,0]=4 3998 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,1,0,0,0,0|3,0,0]=4 3999 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,1,0,0,0,0|3,0,0]=4 4000 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,1,0,0,0,0|3,0,0]=4 4001 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,1,0,0,0,0|3,0,0]=4 4002 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,1,0,0,0,0|3,0,0]=4 4003 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,1,0,0,0,0|3,0,0]=4 4004 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,1,0,0,0,0|3,0,0]=4 4005 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,1,0,0,0,0|3,0,0]=4 4006 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4007 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4008 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4009 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,1,0,0,0,0|3,0,0]=4 4010 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4011 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4012 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4013 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,1,0,0,0,0|3,0,0]=4 4014 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,1,0,0,0,0|3,0,0]=4 4015 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,1,0,0,0,0|3,0,0]=4 4016 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,1,0,0,0,0|3,0,0]=4 4017 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,1,0,0,0,0|3,0,0]=4 4018 B11R0.81 CCSCCNC(=O)NCCF 2708a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4019 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4020 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000724931_100000106463 [0,1,0,0,0,0|3,0,0]=4 4021 B11R0.81 CCSCCNC(=O)NCCF 512a_100000106463_100000724931 [0,1,0,0,0,0|3,0,0]=4 4022 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4023 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4024 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,1,0,0,0,0|3,0,0]=4 4025 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,1,0,0,0,0|3,0,0]=4 4026 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [0,1,0,0,0,0|2,0,1]=4 4027 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,1,0,0,0,0|2,0,1]=4 4028 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [0,1,0,0,0,0|2,0,1]=4 4029 B11R0.81 COCCC(=O)CCCCC#N 1458a_100000749529_100000211819 [0,1,0,0,0,0|2,0,1]=4 4030 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,1,0,0,0,0|2,0,0]=3 4031 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,1,0,0,0,0|2,0,0]=3 4032 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,1,0,0,0,0|2,0,0]=3 4033 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,1,0,0,0,0|3,0,0]=4 4034 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,1,0,0,0,0|3,0,0]=4 4035 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,1,0,0,0,0|3,0,0]=4 4036 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,1,0,0,0,0|3,0,0]=4 4037 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4038 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4039 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4040 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,1,0,0,0,0|3,0,0]=4 4041 B11R0.81 COCCCCC(=O)C#CCO 1458a_100000049017_100000755781 [0,1,0,0,0,0|2,0,1]=4 4042 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,1,0,0,0,0|2,0,1]=4 4043 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,1,0,0,0,0|2,0,0]=3 4044 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,1,0,0,0,0|2,0,0]=3 4045 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4046 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4047 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,1,0,0,0,0|3,0,0]=4 4048 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4049 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4050 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,1,0,0,0,0|3,0,0]=4 4051 B11R0.81 COCCCNC(=O)NCCF 2708a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4052 B11R0.81 COCCCNC(=O)NCCF 273464a_100000724931_100150723488 [0,1,0,0,0,0|3,0,0]=4 4053 B11R0.81 COCCCNC(=O)NCCF 273464a_100150723488_100000724931 [0,1,0,0,0,0|3,0,0]=4 4054 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4055 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,1,0,0,0,0|3,0,0]=4 4056 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,1,0,0,0,0|3,0,0]=4 4057 B11R0.81 COCCNCC(=O)NCCF 2230a_100000725713_100011201679 [0,1,0,0,0,0|3,0,0]=4 4058 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,1,0,0,0,0|3,0,0]=4 4059 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,1,0,0,0,0|3,0,0]=4 4060 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,1,0,0,0,0|3,0,0]=4 4061 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,1,0,0,0,0|3,0,0]=4 4062 B11R0.81 COCCOCC(=O)NCCF 11a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4063 B11R0.81 COCCOCC(=O)NCCF 1626a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4064 B11R0.81 COCCOCC(=O)NCCF 240690a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4065 B11R0.81 COCCOCC(=O)NCCF 527a_100000724931_100000211095 [0,1,0,0,0,0|3,0,0]=4 4066 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,1,0,0,0,0|3,0,0]=4 4067 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,1,0,0,0,0|3,0,0]=4 4068 B11R0.81 CSCCC(=O)CCCCC#N 1458a_100000174002_100000211819 [0,1,0,0,0,0|2,0,1]=4 4069 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,1,0,0,0,0|2,0,0]=3 4070 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,1,0,0,0,0|2,0,0]=3 4071 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,1,0,0,0,0|2,0,0]=3 4072 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,1,0,0,0,0|3,0,0]=4 4073 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,1,0,0,0,0|3,0,0]=4 4074 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,1,0,0,0,0|3,0,0]=4 4075 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,1,0,0,0,0|3,0,0]=4 4076 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4077 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4078 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4079 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,1,0,0,0,0|3,0,0]=4 4080 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4081 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [0,1,0,0,0,0|3,0,0]=4 4082 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4083 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [0,1,0,0,0,0|3,0,0]=4 4084 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4085 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,1,0,0,0,0|3,0,0]=4 4086 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4087 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,1,0,0,0,0|3,0,0]=4 4088 B11R0.81 CSCCNCC(=O)NCCF 2230a_100000725713_100000751147 [0,1,0,0,0,0|3,0,0]=4 4089 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,1,0,0,0,0|2,0,1]=4 4090 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,1,0,0,0,0|2,0,1]=4 4091 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,1,0,0,0,0|2,0,1]=4 4092 B11R0.81 O=C(C#CCO)CCCCCF 1458a_100000049017_100000729378 [0,1,0,0,0,0|2,0,1]=4 4093 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,1,0,0,0,0|2,0,1]=4 4094 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,1,0,0,0,0|2,0,0]=3 4095 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,1,0,0,0,0|2,0,0]=3 4096 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,1,0,0,0,0|2,0,0]=3 4097 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,1,0,0,0,0|3,0,0]=4 4098 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,1,0,0,0,0|2,0,0]=3 4099 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,1,0,0,0,0|3,0,0]=4 4100 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,1,0,0,0,0|3,0,0]=4 4101 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,1,0,0,0,0|3,0,0]=4 4102 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,1,0,0,0,0|3,0,0]=4 4103 B11R0.81 O=C(CNCCCF)NCCF 2230a_100000725713_100011934791 [0,1,0,0,0,0|3,0,0]=4 4104 B11R0.81 O=C(CNCCCO)NCCF 2230a_100000725713_100000230001 [0,1,0,0,0,0|3,0,0]=4 4105 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4106 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,1,0,0,0,0|3,0,0]=4 4107 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4108 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,1,0,0,0,0|3,0,0]=4 4109 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4110 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,1,0,0,0,0|3,0,0]=4 4111 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4112 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,1,0,0,0,0|3,0,0]=4 4113 B11R0.140 C#CCCCC(=O)C#CCCC 1458a_200011218047_100000731252 [0,1,0,0,0,0|1,0,2]=4 4114 B11R0.140 C#CCCCC(=O)C=CCCC 1458a_100000212230_100000731252 [0,1,0,0,0,0|1,0,2]=4 4115 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,1,0,0,0,0|1,0,1]=3 4116 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,1,0,0,0,0|1,0,1]=3 4117 B11R0.140 C#CCCCC(=O)CCCCF 1458a_100000690238_100000729493 [0,1,0,0,0,0|1,0,2]=4 4118 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [0,1,0,0,0,0|1,0,2]=4 4119 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [0,1,0,0,0,0|1,0,2]=4 4120 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000690238_100000740836 [0,1,0,0,0,0|1,0,2]=4 4121 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000741012_100000731252 [0,1,0,0,0,0|1,0,2]=4 4122 B11R0.140 C#CCCCC(=O)CCCSC 1458a_100000173376_100000731252 [0,1,0,0,0,0|1,0,2]=4 4123 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [0,1,0,0,0,0|1,0,2]=4 4124 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [0,1,0,0,0,0|1,0,2]=4 4125 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000230768_100000731252 [0,1,0,0,0,0|1,0,2]=4 4126 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000690238_100000757381 [0,1,0,0,0,0|1,0,2]=4 4127 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [0,1,0,0,0,0|0,0,2]=3 4128 B11R0.140 C#CCCCC(=O)COCCO 1458a_100000708028_100000731252 [0,1,0,0,0,0|1,0,2]=4 4129 B11R0.140 C#CCCCC(=O)CSCCC 1458a_100000217233_100000731252 [0,1,0,0,0,0|0,1,2]=4 4130 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [0,1,0,0,0,0|1,0,2]=4 4131 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [0,1,0,0,0,0|1,0,2]=4 4132 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [0,1,0,0,0,0|1,0,2]=4 4133 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [0,1,0,0,0,0|1,0,2]=4 4134 B11R0.140 C#CCCCC(=O)NCCCF 11a_100015189416_100000690238 [0,1,0,0,0,0|1,0,2]=4 4135 B11R0.140 C#CCCCC(=O)NCCCF 1626a_100015189416_100000690238 [0,1,0,0,0,0|1,0,2]=4 4136 B11R0.140 C#CCCCC(=O)NCCCF 240690a_100015189416_100000690238 [0,1,0,0,0,0|1,0,2]=4 4137 B11R0.140 C#CCCCC(=O)NCCCF 527a_100015189416_100000690238 [0,1,0,0,0,0|1,0,2]=4 4138 B11R0.140 C#CCCCC(=O)NCCCO 240690a_100000182051_100000690238 [0,1,0,0,0,0|1,0,2]=4 4139 B11R0.140 C#CCCCC(=O)NCCCO 527a_100000182051_100000690238 [0,1,0,0,0,0|1,0,2]=4 4140 B11R0.140 C#CCCCC(=O)NCCOC 1626a_100000209980_100000690238 [0,1,0,0,0,0|1,0,2]=4 4141 B11R0.140 C#CCCCC(=O)NCCOC 240690a_100000209980_100000690238 [0,1,0,0,0,0|1,0,2]=4 4142 B11R0.140 C#CCCCC(=O)NCCOC 527a_100000209980_100000690238 [0,1,0,0,0,0|1,0,2]=4 4143 B11R0.140 C#CCCCC(=O)NCCSC 11a_100020590264_100000690238 [0,1,0,0,0,0|1,0,2]=4 4144 B11R0.140 C#CCCCC(=O)NCCSC 1626a_100020590264_100000690238 [0,1,0,0,0,0|1,0,2]=4 4145 B11R0.140 C#CCCCC(=O)NCCSC 240690a_100020590264_100000690238 [0,1,0,0,0,0|1,0,2]=4 4146 B11R0.140 C#CCCCC(=O)NCCSC 527a_100020590264_100000690238 [0,1,0,0,0,0|1,0,2]=4 4147 B11R0.140 C#CCCCC(=O)NNCCC 22a_100000740057_100000690238 [0,1,0,0,0,0|1,0,2]=4 4148 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,1,0,0,0,0|1,0,1]=3 4149 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,1,0,0,0,0|1,0,1]=3 4150 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,1,0,0,0,0|1,0,1]=3 4151 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,1,0,0,0,0|1,0,1]=3 4152 B11R0.140 C#CCCNC(=O)CCCCO 1626a_100000755551_100000695505 [0,1,0,0,0,0|2,0,1]=4 4153 B11R0.140 C#CCCNC(=O)CCCOC 11a_100000755551_100000741012 [0,1,0,0,0,0|2,0,1]=4 4154 B11R0.140 C#CCCNC(=O)CCCOC 1626a_100000755551_100000741012 [0,1,0,0,0,0|2,0,1]=4 4155 B11R0.140 C#CCCNC(=O)CCCOC 240690a_100000755551_100000741012 [0,1,0,0,0,0|2,0,1]=4 4156 B11R0.140 C#CCCNC(=O)CCCOC 527a_100000755551_100000741012 [0,1,0,0,0,0|2,0,1]=4 4157 B11R0.140 C#CCCNC(=O)CCCSC 11a_100000755551_100000173376 [0,1,0,0,0,0|2,0,1]=4 4158 B11R0.140 C#CCCNC(=O)CCCSC 1626a_100000755551_100000173376 [0,1,0,0,0,0|2,0,1]=4 4159 B11R0.140 C#CCCNC(=O)CCCSC 240690a_100000755551_100000173376 [0,1,0,0,0,0|2,0,1]=4 4160 B11R0.140 C#CCCNC(=O)CCCSC 527a_100000755551_100000173376 [0,1,0,0,0,0|2,0,1]=4 4161 B11R0.140 C#CCCNC(=O)CCOCC 11a_100000755551_100000749530 [0,1,0,0,0,0|2,0,1]=4 4162 B11R0.140 C#CCCNC(=O)CCOCC 1626a_100000755551_100000749530 [0,1,0,0,0,0|2,0,1]=4 4163 B11R0.140 C#CCCNC(=O)CCOCC 240690a_100000755551_100000749530 [0,1,0,0,0,0|2,0,1]=4 4164 B11R0.140 C#CCCNC(=O)CCOCC 527a_100000755551_100000749530 [0,1,0,0,0,0|2,0,1]=4 4165 B11R0.140 C#CCCNC(=O)CCSCC 11a_100000755551_100000230768 [0,1,0,0,0,0|2,0,1]=4 4166 B11R0.140 C#CCCNC(=O)CCSCC 1626a_100000755551_100000230768 [0,1,0,0,0,0|2,0,1]=4 4167 B11R0.140 C#CCCNC(=O)CCSCC 240690a_100000755551_100000230768 [0,1,0,0,0,0|2,0,1]=4 4168 B11R0.140 C#CCCNC(=O)CCSCC 527a_100000755551_100000230768 [0,1,0,0,0,0|2,0,1]=4 4169 B11R0.140 C#CCCNC(=O)COCCC 11a_100000755551_100000745993 [0,1,0,0,0,0|1,0,2]=4 4170 B11R0.140 C#CCCNC(=O)COCCC 1626a_100000755551_100000745993 [0,1,0,0,0,0|1,0,2]=4 4171 B11R0.140 C#CCCNC(=O)COCCC 240690a_100000755551_100000745993 [0,1,0,0,0,0|1,0,2]=4 4172 B11R0.140 C#CCCNC(=O)COCCC 527a_100000755551_100000745993 [0,1,0,0,0,0|1,0,2]=4 4173 B11R0.140 C#CCCNC(=O)CSCCC 11a_100000755551_100000217233 [0,1,0,0,0,0|2,0,1]=4 4174 B11R0.140 C#CCCNC(=O)CSCCC 1626a_100000755551_100000217233 [0,1,0,0,0,0|2,0,1]=4 4175 B11R0.140 C#CCCNC(=O)CSCCC 240690a_100000755551_100000217233 [0,1,0,0,0,0|2,0,1]=4 4176 B11R0.140 C#CCCNC(=O)CSCCC 527a_100000755551_100000217233 [0,1,0,0,0,0|2,0,1]=4 4177 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000102301_100000755551 [0,1,0,0,0,0|2,0,1]=4 4178 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000755551_100000102301 [0,1,0,0,0,0|2,0,1]=4 4179 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000102301_100000755551 [0,1,0,0,0,0|2,0,1]=4 4180 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000755551_100000102301 [0,1,0,0,0,0|2,0,1]=4 4181 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000102301_100000755551 [0,1,0,0,0,0|2,0,1]=4 4182 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000755551_100000102301 [0,1,0,0,0,0|2,0,1]=4 4183 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,1,0,0,0,0|1,0,2]=4 4184 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,1,0,0,0,0|1,0,2]=4 4185 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,1,0,0,0,0|1,0,2]=4 4186 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [0,1,0,0,0,0|1,0,2]=4 4187 B11R0.140 C#CCNCC(=O)OCCCC 34a_100000212058_100000211628 [0,1,0,0,0,0|1,0,2]=4 4188 B11R0.140 C#CCNCC(=O)OCCOC 34a_100000212058_200000040189 [0,1,0,0,0,0|1,0,2]=4 4189 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [0,1,0,0,0,0|0,0,2]=3 4190 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [0,1,0,0,0,0|0,0,2]=3 4191 B11R0.140 C#CCOCC(=O)CCCCF 1458a_100011251226_100000729493 [0,1,0,0,0,0|1,0,2]=4 4192 B11R0.140 C#CCOCC(=O)CCCCO 1458a_100011251226_100000210776 [0,1,0,0,0,0|1,0,2]=4 4193 B11R0.140 C#CCOCC(=O)CCCOC 1458a_100011251226_100000740836 [0,1,0,0,0,0|1,0,2]=4 4194 B11R0.140 C#CCOCC(=O)CCOCC 1458a_100011251226_100011215890 [0,1,0,0,0,0|1,0,2]=4 4195 B11R0.140 C#CCOCC(=O)CCSCC 1458a_100011251226_100000757381 [0,1,0,0,0,0|1,0,2]=4 4196 B11R0.140 C#CCOCC(=O)NCCCC 11a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 4197 B11R0.140 C#CCOCC(=O)NCCCC 1626a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 4198 B11R0.140 C#CCOCC(=O)NCCCC 34a_100000210247_100000182744 [0,1,0,0,0,0|1,0,2]=4 4199 B11R0.140 C#CCOCC(=O)NCCCC 527a_100000102301_100011251226 [0,1,0,0,0,0|1,0,2]=4 4200 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [0,1,0,0,0,0|1,0,2]=4 4201 B11R0.140 C#CCOCC(=O)OCCOC 34a_100000210247_200000040189 [0,1,0,0,0,0|1,0,2]=4 4202 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [0,1,0,0,0,0|0,1,2]=4 4203 B11R0.140 C#CCSCC(=O)OCCCC 62a_100000038162_100000211628 [0,1,0,0,0,0|1,0,2]=4 4204 B11R0.140 C#CCSCC(=O)OCCOC 62a_100000038162_200000040189 [0,1,0,0,0,0|1,0,2]=4 4205 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,1,0,0,0,0|1,0,2]=4 4206 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,1,0,0,0,0|1,0,2]=4 4207 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,1,0,0,0,0|1,0,2]=4 4208 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,1,0,0,0,0|1,0,2]=4 4209 B11R0.140 C=CCCCC(=O)C#CCCC 1458a_200011218047_100000757094 [0,1,0,0,0,0|1,0,2]=4 4210 B11R0.140 C=CCCCC(=O)C=CCCC 1458a_100000212230_100000757094 [0,1,0,0,0,0|1,0,2]=4 4211 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,1,0,0,0,0|1,0,1]=3 4212 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,1,0,0,0,0|1,0,1]=3 4213 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,1,0,0,0,0|1,0,2]=4 4214 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,1,0,0,0,0|1,0,2]=4 4215 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,1,0,0,0,0|1,0,2]=4 4216 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,1,0,0,0,0|1,0,2]=4 4217 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,1,0,0,0,0|1,0,2]=4 4218 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,1,0,0,0,0|1,0,2]=4 4219 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,1,0,0,0,0|1,0,2]=4 4220 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,1,0,0,0,0|1,0,2]=4 4221 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,1,0,0,0,0|1,0,2]=4 4222 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,1,0,0,0,0|1,0,2]=4 4223 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,1,0,0,0,0|0,0,2]=3 4224 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [0,1,0,0,0,0|1,0,2]=4 4225 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,1,0,0,0,0|0,1,2]=4 4226 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,1,0,0,0,0|1,0,2]=4 4227 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,1,0,0,0,0|1,0,2]=4 4228 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,1,0,0,0,0|1,0,2]=4 4229 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,1,0,0,0,0|1,0,2]=4 4230 B11R0.140 C=CCCCC(=O)NCCCF 11a_100015189416_100000766728 [0,1,0,0,0,0|1,0,2]=4 4231 B11R0.140 C=CCCCC(=O)NCCCF 1626a_100015189416_100000766728 [0,1,0,0,0,0|1,0,2]=4 4232 B11R0.140 C=CCCCC(=O)NCCCF 240690a_100015189416_100000766728 [0,1,0,0,0,0|1,0,2]=4 4233 B11R0.140 C=CCCCC(=O)NCCCF 527a_100015189416_100000766728 [0,1,0,0,0,0|1,0,2]=4 4234 B11R0.140 C=CCCCC(=O)NCCCO 240690a_100000182051_100000766728 [0,1,0,0,0,0|1,0,2]=4 4235 B11R0.140 C=CCCCC(=O)NCCCO 527a_100000182051_100000766728 [0,1,0,0,0,0|1,0,2]=4 4236 B11R0.140 C=CCCCC(=O)NCCOC 1626a_100000209980_100000766728 [0,1,0,0,0,0|1,0,2]=4 4237 B11R0.140 C=CCCCC(=O)NCCOC 240690a_100000209980_100000766728 [0,1,0,0,0,0|1,0,2]=4 4238 B11R0.140 C=CCCCC(=O)NCCOC 527a_100000209980_100000766728 [0,1,0,0,0,0|1,0,2]=4 4239 B11R0.140 C=CCCCC(=O)NCCSC 11a_100020590264_100000766728 [0,1,0,0,0,0|1,0,2]=4 4240 B11R0.140 C=CCCCC(=O)NCCSC 1626a_100020590264_100000766728 [0,1,0,0,0,0|1,0,2]=4 4241 B11R0.140 C=CCCCC(=O)NCCSC 240690a_100020590264_100000766728 [0,1,0,0,0,0|1,0,2]=4 4242 B11R0.140 C=CCCCC(=O)NCCSC 527a_100020590264_100000766728 [0,1,0,0,0,0|1,0,2]=4 4243 B11R0.140 C=CCCCC(=O)NNCCC 22a_100000740057_100000766728 [0,1,0,0,0,0|1,0,2]=4 4244 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,1,0,0,0,0|1,0,1]=3 4245 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,1,0,0,0,0|1,0,1]=3 4246 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,1,0,0,0,0|1,0,1]=3 4247 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,1,0,0,0,0|1,0,1]=3 4248 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [0,1,0,0,0,0|2,0,1]=4 4249 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [0,1,0,0,0,0|2,0,1]=4 4250 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [0,1,0,0,0,0|2,0,1]=4 4251 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [0,1,0,0,0,0|2,0,1]=4 4252 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [0,1,0,0,0,0|2,0,1]=4 4253 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [0,1,0,0,0,0|2,0,1]=4 4254 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [0,1,0,0,0,0|2,0,1]=4 4255 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [0,1,0,0,0,0|2,0,1]=4 4256 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [0,1,0,0,0,0|2,0,1]=4 4257 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [0,1,0,0,0,0|2,0,1]=4 4258 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [0,1,0,0,0,0|2,0,1]=4 4259 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [0,1,0,0,0,0|2,0,1]=4 4260 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [0,1,0,0,0,0|2,0,1]=4 4261 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [0,1,0,0,0,0|2,0,1]=4 4262 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [0,1,0,0,0,0|2,0,1]=4 4263 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [0,1,0,0,0,0|2,0,1]=4 4264 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [0,1,0,0,0,0|2,0,1]=4 4265 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [0,1,0,0,0,0|1,0,2]=4 4266 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [0,1,0,0,0,0|1,0,2]=4 4267 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [0,1,0,0,0,0|1,0,2]=4 4268 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [0,1,0,0,0,0|1,0,2]=4 4269 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [0,1,0,0,0,0|2,0,1]=4 4270 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [0,1,0,0,0,0|2,0,1]=4 4271 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [0,1,0,0,0,0|2,0,1]=4 4272 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [0,1,0,0,0,0|2,0,1]=4 4273 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,1,0,0,0,0|2,0,1]=4 4274 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,1,0,0,0,0|2,0,1]=4 4275 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,1,0,0,0,0|2,0,1]=4 4276 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,1,0,0,0,0|2,0,1]=4 4277 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,1,0,0,0,0|2,0,1]=4 4278 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,1,0,0,0,0|2,0,1]=4 4279 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,1,0,0,0,0|1,0,2]=4 4280 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,1,0,0,0,0|1,0,2]=4 4281 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,1,0,0,0,0|1,0,2]=4 4282 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,1,0,0,0,0|1,0,2]=4 4283 B11R0.140 C=CCNCC(=O)OCCCC 2230a_100020586998_100000211628 [0,1,0,0,0,0|1,0,2]=4 4284 B11R0.140 C=CCNCC(=O)OCCOC 2230a_100020586998_200000040189 [0,1,0,0,0,0|1,0,2]=4 4285 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [0,1,0,0,0,0|1,0,2]=4 4286 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,1,0,0,0,0|0,0,2]=3 4287 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,1,0,0,0,0|1,0,2]=4 4288 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,1,0,0,0,0|1,0,2]=4 4289 B11R0.140 C=CCOCC(=O)OCCOC 34a_200000210373_200000040189 [0,1,0,0,0,0|1,0,2]=4 4290 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,1,0,0,0,0|0,1,2]=4 4291 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,1,0,0,0,0|0,1,2]=4 4292 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,1,0,0,0,0|0,1,2]=4 4293 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000210623_100000211628 [0,1,0,0,0,0|1,0,2]=4 4294 B11R0.140 C=CCSCC(=O)OCCCC 62a_100000211628_100000210623 [0,1,0,0,0,0|1,0,2]=4 4295 B11R0.140 C=CCSCC(=O)OCCOC 62a_100000210623_200000040189 [0,1,0,0,0,0|1,0,2]=4 4296 B11R0.140 C=CCSCC(=O)OCCOC 62a_200000040189_100000210623 [0,1,0,0,0,0|1,0,2]=4 4297 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,1,0,0,0,0|1,0,2]=4 4298 B11R0.140 C=COCCC(=O)COCCC 1458a_100000745993_100000039644 [0,1,0,0,0,0|1,0,2]=4 4299 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [0,1,0,0,0,0|1,0,1]=3 4300 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [0,1,0,0,0,0|1,0,1]=3 4301 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [0,1,0,0,0,0|1,0,1]=3 4302 B11R0.140 CC#CCNC(=O)CCCCO 1626a_100000685387_100000695505 [0,1,0,0,0,0|2,0,1]=4 4303 B11R0.140 CC#CCNC(=O)CCCOC 11a_100000685387_100000741012 [0,1,0,0,0,0|2,0,1]=4 4304 B11R0.140 CC#CCNC(=O)CCCOC 1626a_100000685387_100000741012 [0,1,0,0,0,0|2,0,1]=4 4305 B11R0.140 CC#CCNC(=O)CCCOC 527a_100000685387_100000741012 [0,1,0,0,0,0|2,0,1]=4 4306 B11R0.140 CC#CCNC(=O)CCCSC 11a_100000685387_100000173376 [0,1,0,0,0,0|2,0,1]=4 4307 B11R0.140 CC#CCNC(=O)CCCSC 1626a_100000685387_100000173376 [0,1,0,0,0,0|2,0,1]=4 4308 B11R0.140 CC#CCNC(=O)CCCSC 527a_100000685387_100000173376 [0,1,0,0,0,0|2,0,1]=4 4309 B11R0.140 CC#CCNC(=O)CCOCC 11a_100000685387_100000749530 [0,1,0,0,0,0|2,0,1]=4 4310 B11R0.140 CC#CCNC(=O)CCOCC 1626a_100000685387_100000749530 [0,1,0,0,0,0|2,0,1]=4 4311 B11R0.140 CC#CCNC(=O)CCOCC 527a_100000685387_100000749530 [0,1,0,0,0,0|2,0,1]=4 4312 B11R0.140 CC#CCNC(=O)CCSCC 11a_100000685387_100000230768 [0,1,0,0,0,0|2,0,1]=4 4313 B11R0.140 CC#CCNC(=O)CCSCC 1626a_100000685387_100000230768 [0,1,0,0,0,0|2,0,1]=4 4314 B11R0.140 CC#CCNC(=O)CCSCC 527a_100000685387_100000230768 [0,1,0,0,0,0|2,0,1]=4 4315 B11R0.140 CC#CCNC(=O)COCCC 11a_100000685387_100000745993 [0,1,0,0,0,0|1,0,2]=4 4316 B11R0.140 CC#CCNC(=O)COCCC 1626a_100000685387_100000745993 [0,1,0,0,0,0|1,0,2]=4 4317 B11R0.140 CC#CCNC(=O)COCCC 527a_100000685387_100000745993 [0,1,0,0,0,0|1,0,2]=4 4318 B11R0.140 CC#CCNC(=O)CSCCC 11a_100000685387_100000217233 [0,1,0,0,0,0|2,0,1]=4 4319 B11R0.140 CC#CCNC(=O)CSCCC 1626a_100000685387_100000217233 [0,1,0,0,0,0|2,0,1]=4 4320 B11R0.140 CC#CCNC(=O)CSCCC 527a_100000685387_100000217233 [0,1,0,0,0,0|2,0,1]=4 4321 B11R0.140 CC#CCNC(=O)NCCCC 2708a_100000102301_100000685387 [0,1,0,0,0,0|2,0,1]=4 4322 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000102301_100000685387 [0,1,0,0,0,0|2,0,1]=4 4323 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000685387_100000102301 [0,1,0,0,0,0|2,0,1]=4 4324 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000102301_100000685387 [0,1,0,0,0,0|2,0,1]=4 4325 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000685387_100000102301 [0,1,0,0,0,0|2,0,1]=4 4326 B11R0.140 CC#CCOC(C)CCCCC 34a_100000761923_200011218191 [0,1,0,0,0,0|1,0,2]=4 4327 B11R0.140 CC#CCOC(C)CCCCC 34a_100011215632_100000748600 [0,1,0,0,0,0|1,0,2]=4 4328 B11R0.140 CC#CCOC(C)CCCCC 7a_100011215632_100000748600 [0,1,0,0,0,0|1,0,2]=4 4329 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,1,0,0,0,0|1,0,1]=3 4330 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,1,0,0,0,0|1,0,2]=4 4331 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,1,0,0,0,0|1,0,2]=4 4332 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,1,0,0,0,0|1,0,2]=4 4333 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,1,0,0,0,0|1,0,2]=4 4334 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,1,0,0,0,0|1,0,2]=4 4335 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,1,0,0,0,0|1,0,2]=4 4336 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,1,0,0,0,0|1,0,2]=4 4337 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,1,0,0,0,0|1,0,2]=4 4338 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,1,0,0,0,0|1,0,2]=4 4339 B11R0.140 CC/C=C/CC(=O)NCCCF 11a_100015189416_100016274230 [0,1,0,0,0,0|1,0,2]=4 4340 B11R0.140 CC/C=C/CC(=O)NCCCF 1626a_100015189416_100016274230 [0,1,0,0,0,0|1,0,2]=4 4341 B11R0.140 CC/C=C/CC(=O)NCCCF 240690a_100015189416_100016274230 [0,1,0,0,0,0|1,0,2]=4 4342 B11R0.140 CC/C=C/CC(=O)NCCCF 527a_100015189416_100016274230 [0,1,0,0,0,0|1,0,2]=4 4343 B11R0.140 CC/C=C/CC(=O)NCCCO 240690a_100000182051_100016274230 [0,1,0,0,0,0|1,0,2]=4 4344 B11R0.140 CC/C=C/CC(=O)NCCCO 527a_100000182051_100016274230 [0,1,0,0,0,0|1,0,2]=4 4345 B11R0.140 CC/C=C/CC(=O)NCCOC 1626a_100000209980_100016274230 [0,1,0,0,0,0|1,0,2]=4 4346 B11R0.140 CC/C=C/CC(=O)NCCOC 240690a_100000209980_100016274230 [0,1,0,0,0,0|1,0,2]=4 4347 B11R0.140 CC/C=C/CC(=O)NCCOC 527a_100000209980_100016274230 [0,1,0,0,0,0|1,0,2]=4 4348 B11R0.140 CC/C=C/CC(=O)NCCSC 11a_100020590264_100016274230 [0,1,0,0,0,0|1,0,2]=4 4349 B11R0.140 CC/C=C/CC(=O)NCCSC 1626a_100020590264_100016274230 [0,1,0,0,0,0|1,0,2]=4 4350 B11R0.140 CC/C=C/CC(=O)NCCSC 240690a_100020590264_100016274230 [0,1,0,0,0,0|1,0,2]=4 4351 B11R0.140 CC/C=C/CC(=O)NCCSC 527a_100020590264_100016274230 [0,1,0,0,0,0|1,0,2]=4 4352 B11R0.140 CC/C=C/CC(=O)NNCCC 22a_100000740057_100016274230 [0,1,0,0,0,0|1,0,2]=4 4353 B11R0.140 CC/C=C\CC(=O)C#CCCC 1458a_200011218047_100103147603 [0,1,0,0,0,0|1,0,2]=4 4354 B11R0.140 CC/C=C\CC(=O)C=CCCC 1458a_100000212230_100103147603 [0,1,0,0,0,0|1,0,2]=4 4355 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,1,0,0,0,0|1,0,1]=3 4356 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,1,0,0,0,0|1,0,2]=4 4357 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,1,0,0,0,0|1,0,2]=4 4358 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,1,0,0,0,0|1,0,2]=4 4359 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,1,0,0,0,0|1,0,2]=4 4360 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,1,0,0,0,0|1,0,2]=4 4361 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,1,0,0,0,0|0,0,2]=3 4362 B11R0.140 CC/C=C\CC(=O)COCCO 1458a_100000708028_100103147603 [0,1,0,0,0,0|1,0,2]=4 4363 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,1,0,0,0,0|0,1,2]=4 4364 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,1,0,0,0,0|1,0,2]=4 4365 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,1,0,0,0,0|1,0,2]=4 4366 B11R0.140 CCC#CCC(=O)C#CCCC 1458a_200011218047_100009813939 [0,1,0,0,0,0|1,0,2]=4 4367 B11R0.140 CCC#CCC(=O)C=CCCC 1458a_100000212230_100009813939 [0,1,0,0,0,0|1,0,2]=4 4368 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [0,1,0,0,0,0|1,0,1]=3 4369 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,1,0,0,0,0|1,0,2]=4 4370 B11R0.140 CCC#CCC(=O)CCCOC 1458a_100000741012_100009813939 [0,1,0,0,0,0|1,0,2]=4 4371 B11R0.140 CCC#CCC(=O)CCCSC 1458a_100000173376_100009813939 [0,1,0,0,0,0|1,0,2]=4 4372 B11R0.140 CCC#CCC(=O)CCOCC 1458a_100000749530_100009813939 [0,1,0,0,0,0|1,0,2]=4 4373 B11R0.140 CCC#CCC(=O)CCSCC 1458a_100000230768_100009813939 [0,1,0,0,0,0|1,0,2]=4 4374 B11R0.140 CCC#CCC(=O)COCCC 1458a_100000745993_100009813939 [0,1,0,0,0,0|0,0,2]=3 4375 B11R0.140 CCC#CCC(=O)COCCO 1458a_100000708028_100009813939 [0,1,0,0,0,0|1,0,2]=4 4376 B11R0.140 CCC#CCC(=O)CSCCC 1458a_100000217233_100009813939 [0,1,0,0,0,0|0,1,2]=4 4377 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [0,1,0,0,0,0|1,0,1]=3 4378 B11R0.140 CCCC#CC(=O)CCCC#N 1458a_200011218047_100000211468 [0,1,0,0,0,0|2,0,1]=4 4379 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,1,0,0,0,0|1,0,0]=2 4380 B11R0.140 CCCC#CC(=O)CCCCF 1458a_200011218047_100000729493 [0,1,0,0,0,0|2,0,0]=3 4381 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [0,1,0,0,0,0|2,0,0]=3 4382 B11R0.140 CCCC#CC(=O)CCCOC 1458a_200011218047_100000740836 [0,1,0,0,0,0|2,0,0]=3 4383 B11R0.140 CCCC#CC(=O)CCOCC 1458a_200011218047_100011215890 [0,1,0,0,0,0|2,0,0]=3 4384 B11R0.140 CCCC#CC(=O)CCSCC 1458a_200011218047_100000757381 [0,1,0,0,0,0|2,0,0]=3 4385 B11R0.140 CCCC#CC(=O)NCCCC 240690a_100000102301_200011218047 [0,1,0,0,0,0|2,0,0]=3 4386 B11R0.140 CCCC#CC(=O)NCCCF 240690a_100015189416_200011218047 [0,1,0,0,0,0|1,0,2]=4 4387 B11R0.140 CCCC#CC(=O)NCCCO 240690a_100000182051_200011218047 [0,1,0,0,0,0|1,0,2]=4 4388 B11R0.140 CCCC#CC(=O)NCCOC 240690a_100000209980_200011218047 [0,1,0,0,0,0|1,0,2]=4 4389 B11R0.140 CCCC#CC(=O)NCCSC 240690a_100020590264_200011218047 [0,1,0,0,0,0|1,0,2]=4 4390 B11R0.140 CCCC#CC(=O)NNCCC 22a_100000740057_200011218047 [0,1,0,0,0,0|1,0,2]=4 4391 B11R0.140 CCCC=CC(=O)CCCC#N 1458a_100000212230_100000211468 [0,1,0,0,0,0|2,0,1]=4 4392 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,1,0,0,0,0|1,0,0]=2 4393 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,1,0,0,0,0|2,0,0]=3 4394 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,1,0,0,0,0|2,0,0]=3 4395 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [0,1,0,0,0,0|2,0,0]=3 4396 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,1,0,0,0,0|2,0,0]=3 4397 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [0,1,0,0,0,0|2,0,0]=3 4398 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [0,1,0,0,0,0|2,0,0]=3 4399 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [0,1,0,0,0,0|2,0,0]=3 4400 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [0,1,0,0,0,0|2,0,0]=3 4401 B11R0.140 CCCC=CC(=O)NCCCF 11a_100015189416_100000212230 [0,1,0,0,0,0|1,0,2]=4 4402 B11R0.140 CCCC=CC(=O)NCCCF 1626a_100015189416_100000212230 [0,1,0,0,0,0|1,0,2]=4 4403 B11R0.140 CCCC=CC(=O)NCCCF 240690a_100015189416_100000212230 [0,1,0,0,0,0|1,0,2]=4 4404 B11R0.140 CCCC=CC(=O)NCCCO 240690a_100000182051_100000212230 [0,1,0,0,0,0|1,0,2]=4 4405 B11R0.140 CCCC=CC(=O)NCCOC 1626a_100000209980_100000212230 [0,1,0,0,0,0|1,0,2]=4 4406 B11R0.140 CCCC=CC(=O)NCCOC 240690a_100000209980_100000212230 [0,1,0,0,0,0|1,0,2]=4 4407 B11R0.140 CCCC=CC(=O)NCCSC 11a_100020590264_100000212230 [0,1,0,0,0,0|1,0,2]=4 4408 B11R0.140 CCCC=CC(=O)NCCSC 1626a_100020590264_100000212230 [0,1,0,0,0,0|1,0,2]=4 4409 B11R0.140 CCCC=CC(=O)NCCSC 240690a_100020590264_100000212230 [0,1,0,0,0,0|1,0,2]=4 4410 B11R0.140 CCCC=CC(=O)NNCCC 22a_100000740057_100000212230 [0,1,0,0,0,0|1,0,2]=4 4411 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [0,1,0,0,0,0|2,0,0]=3 4412 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,1,0,0,0,0|3,0,0]=4 4413 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,1,0,0,0,0|1,0,1]=3 4414 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,1,0,0,0,0|1,0,1]=3 4415 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,1,0,0,0,0|1,0,2]=4 4416 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,1,0,0,0,0|1,0,1]=3 4417 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,1,0,0,0,0|1,0,1]=3 4418 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,1,0,0,0,0|1,0,0]=2 4419 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,1,0,0,0,0|1,0,0]=2 4420 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,1,0,0,0,0|1,0,0]=2 4421 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,1,0,0,0,0|1,0,0]=2 4422 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,1,0,0,0,0|1,0,0]=2 4423 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,1,0,0,0,0|1,0,0]=2 4424 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,1,0,0,0,0|1,0,0]=2 4425 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [0,1,0,0,0,0|3,0,0]=4 4426 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,1,0,0,0,0|1,0,0]=2 4427 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,1,0,0,0,0|1,0,0]=2 4428 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,1,0,0,0,0|1,0,0]=2 4429 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,1,0,0,0,0|1,0,0]=2 4430 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,1,0,0,0,0|2,0,0]=3 4431 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,1,0,0,0,0|2,0,0]=3 4432 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,1,0,0,0,0|2,0,0]=3 4433 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,1,0,0,0,0|1,0,0]=2 4434 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,1,0,0,0,0|0,0,0]=1 4435 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,1,0,0,0,0|0,0,0]=1 4436 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,1,0,0,0,0|1,0,0]=2 4437 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,1,0,0,0,0|1,0,0]=2 4438 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [0,1,0,0,0,0|1,1,1]=4 4439 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [0,1,0,0,0,0|1,1,1]=4 4440 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [0,1,0,0,0,0|1,1,1]=4 4441 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,1,0,0,0,0|1,1,1]=4 4442 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,1,0,0,0,0|1,1,1]=4 4443 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,1,0,0,0,0|0,1,0]=2 4444 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,1,0,0,0,0|0,1,0]=2 4445 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,1,0,0,0,0|0,1,0]=2 4446 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,1,0,0,0,0|1,1,0]=3 4447 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,1,0,0,0,0|1,1,0]=3 4448 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,1,0,0,0,0|1,1,0]=3 4449 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,1,0,0,0,0|1,1,0]=3 4450 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,1,0,0,0,0|1,1,0]=3 4451 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,1,0,0,0,0|1,1,0]=3 4452 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [0,1,0,0,0,0|1,1,0]=3 4453 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [0,1,0,0,0,0|1,1,0]=3 4454 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,1,0,0,0,0|1,0,1]=3 4455 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,1,0,0,0,0|1,0,1]=3 4456 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,1,0,0,0,0|1,0,1]=3 4457 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,1,0,0,0,0|1,0,1]=3 4458 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,1,0,0,0,0|1,0,0]=2 4459 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,1,0,0,0,0|1,0,0]=2 4460 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,1,0,0,0,0|1,0,0]=2 4461 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,1,0,0,0,0|1,0,0]=2 4462 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,1,0,0,0,0|1,0,0]=2 4463 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,1,0,0,0,0|1,0,0]=2 4464 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,1,0,0,0,0|1,0,0]=2 4465 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,1,0,0,0,0|1,0,0]=2 4466 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,1,0,0,0,0|1,0,0]=2 4467 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,1,0,0,0,0|1,0,0]=2 4468 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,1,0,0,0,0|1,0,0]=2 4469 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,1,0,0,0,0|1,0,0]=2 4470 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,1,0,0,0,0|1,0,0]=2 4471 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,1,0,0,0,0|1,0,0]=2 4472 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,1,0,0,0,0|1,0,0]=2 4473 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,1,0,0,0,0|1,0,0]=2 4474 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,1,0,0,0,0|1,0,0]=2 4475 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,1,0,0,0,0|1,0,0]=2 4476 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,1,0,0,0,0|2,0,0]=3 4477 B11R0.140 CCCCCC(C)NCCCC 2230a_100000102301_200011218191 [0,1,0,0,0,0|2,0,1]=4 4478 B11R0.140 CCCCCC(C)NCCCC 2230a_100000211957_100000210211 [0,1,0,0,0,0|2,0,1]=4 4479 B11R0.140 CCCCCC(C)NCCCC 270004a_100000102301_100000211708 [0,1,0,0,0,0|2,0,1]=4 4480 B11R0.140 CCCCCC(C)NCCCC 7a_106832991798_200011218191 [0,1,0,0,0,0|2,0,1]=4 4481 B11R0.140 CCCCCC(C)NCCCF 2230a_100000211957_100011934791 [0,1,0,0,0,0|2,0,1]=4 4482 B11R0.140 CCCCCC(C)NCCCF 2230a_100015189416_200011218191 [0,1,0,0,0,0|2,0,1]=4 4483 B11R0.140 CCCCCC(C)NCCCF 270004a_100015189416_100000211708 [0,1,0,0,0,0|2,0,1]=4 4484 B11R0.140 CCCCCC(C)NCCCF 34a_100015189416_200011218191 [0,1,0,0,0,0|2,0,1]=4 4485 B11R0.140 CCCCCC(C)NCCCO 2230a_100000211957_100000230001 [0,1,0,0,0,0|2,0,1]=4 4486 B11R0.140 CCCCCC(C)NCCCO 270004a_100000182051_100000211708 [0,1,0,0,0,0|2,0,1]=4 4487 B11R0.140 CCCCCC(C)NCCOC 2230a_100000209980_200011218191 [0,1,0,0,0,0|2,0,1]=4 4488 B11R0.140 CCCCCC(C)NCCOC 2230a_100000211957_100011201679 [0,1,0,0,0,0|2,0,1]=4 4489 B11R0.140 CCCCCC(C)NCCOC 270004a_100000209980_100000211708 [0,1,0,0,0,0|2,0,1]=4 4490 B11R0.140 CCCCCC(C)NCCSC 2230a_100000211957_100000751147 [0,1,0,0,0,0|2,0,1]=4 4491 B11R0.140 CCCCCC(C)NCCSC 2230a_100020590264_200011218191 [0,1,0,0,0,0|2,0,1]=4 4492 B11R0.140 CCCCCC(C)NCCSC 270004a_100020590264_100000211708 [0,1,0,0,0,0|2,0,1]=4 4493 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,1,0,0,0,0|1,0,2]=4 4494 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,1,0,0,0,0|1,0,1]=3 4495 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,1,0,0,0,0|1,0,1]=3 4496 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,1,0,0,0,0|1,0,1]=3 4497 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,1,0,0,0,0|1,0,1]=3 4498 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,1,0,0,0,0|1,0,1]=3 4499 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,1,0,0,0,0|1,0,1]=3 4500 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,1,0,0,0,0|1,0,1]=3 4501 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,1,0,0,0,0|1,0,1]=3 4502 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,1,0,0,0,0|1,0,1]=3 4503 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,1,0,0,0,0|1,0,1]=3 4504 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,1,0,0,0,0|1,0,1]=3 4505 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,1,0,0,0,0|1,0,1]=3 4506 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,1,0,0,0,0|1,0,1]=3 4507 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,1,0,0,0,0|1,0,1]=3 4508 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,1,0,0,0,0|1,0,1]=3 4509 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,1,0,0,0,0|2,0,1]=4 4510 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,1,0,0,0,0|1,0,1]=3 4511 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,1,0,0,0,0|1,0,1]=3 4512 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,1,0,0,0,0|1,0,1]=3 4513 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,1,0,0,0,0|1,0,1]=3 4514 B11R0.140 CCCCCC(C)SCCCC 62a_100000210211_200011218191 [0,1,0,0,0,0|1,1,1]=4 4515 B11R0.140 CCCCCC(C)SCCCC 62a_200011218191_100000210210 [0,1,0,0,0,0|1,1,1]=4 4516 B11R0.140 CCCCCC(C)SCCCF 62a_100011934791_200011218191 [0,1,0,0,0,0|1,1,1]=4 4517 B11R0.140 CCCCCC(C)SCCCF 62a_200011218191_100011934791 [0,1,0,0,0,0|1,1,1]=4 4518 B11R0.140 CCCCCC(C)SCCCO 62a_100011215043_200011218191 [0,1,0,0,0,0|1,1,1]=4 4519 B11R0.140 CCCCCC(C)SCCCO 62a_200011218191_100011215043 [0,1,0,0,0,0|1,1,1]=4 4520 B11R0.140 CCCCCC(C)SCCOC 62a_100000233755_200011218191 [0,1,0,0,0,0|1,1,1]=4 4521 B11R0.140 CCCCCC(C)SCCOC 62a_200011218191_100000233755 [0,1,0,0,0,0|1,1,1]=4 4522 B11R0.140 CCCCCC(C)SCCSC 62a_100000212216_200011218191 [0,1,0,0,0,0|1,1,1]=4 4523 B11R0.140 CCCCCC(C)SCCSC 62a_200011218191_100000751147 [0,1,0,0,0,0|1,1,1]=4 4524 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,1,0,0,0,0|1,1,1]=4 4525 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,1,0,0,0,0|1,1,1]=4 4526 B11R0.140 CCCCCN(C)CCCCC 2230a_100000210580_200000210301 [0,1,0,0,0,0|3,0,0]=4 4527 B11R0.140 CCCCCN(C)CCCCC 2230a_100000223495_100000210326 [0,1,0,0,0,0|3,0,0]=4 4528 B11R0.140 CCCCCN(C)CCCCC 269982a_100000210580_200000210301 [0,1,0,0,0,0|3,0,0]=4 4529 B11R0.140 CCCCCN(C)CCCCC 269982a_100000223495_100000210215 [0,1,0,0,0,0|3,0,0]=4 4530 B11R0.140 CCCCCN(C)CCCCF 2230a_100000223495_100000729493 [0,1,0,0,0,0|3,0,0]=4 4531 B11R0.140 CCCCCN(C)CCCCF 269982a_100000223495_100000729493 [0,1,0,0,0,0|3,0,0]=4 4532 B11R0.140 CCCCCN(C)CCCCO 2230a_100000223495_100000210776 [0,1,0,0,0,0|3,0,0]=4 4533 B11R0.140 CCCCCN(C)CCCCO 2230a_100000717598_100000210326 [0,1,0,0,0,0|3,0,0]=4 4534 B11R0.140 CCCCCN(C)CCCCO 269982a_100000223495_100000210776 [0,1,0,0,0,0|3,0,0]=4 4535 B11R0.140 CCCCCN(C)CCCCO 269982a_100000717598_100000210215 [0,1,0,0,0,0|3,0,0]=4 4536 B11R0.140 CCCCCN(C)CCCOC 2230a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 4537 B11R0.140 CCCCCN(C)CCCOC 2230a_100000224831_100000210326 [0,1,0,0,0,0|3,0,0]=4 4538 B11R0.140 CCCCCN(C)CCCOC 269982a_100000223495_100000740836 [0,1,0,0,0,0|3,0,0]=4 4539 B11R0.140 CCCCCN(C)CCCOC 269982a_100000224831_100000210215 [0,1,0,0,0,0|3,0,0]=4 4540 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,1,0,0,0,0|3,0,0]=4 4541 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,1,0,0,0,0|3,0,0]=4 4542 B11R0.140 CCCCCN(C)CCSCC 2230a_100000223495_100000757381 [0,1,0,0,0,0|3,0,0]=4 4543 B11R0.140 CCCCCN(C)CCSCC 269982a_100000223495_100000757381 [0,1,0,0,0,0|3,0,0]=4 4544 B11R0.140 CCCCCN([13CH3])CCCCC 2230a_100000210580_200025704644 [0,1,0,0,0,0|3,0,0]=4 4545 B11R0.140 CCCCCN([13CH3])CCCCC 269982a_100000210580_200025704644 [0,1,0,0,0,0|3,0,0]=4 4546 B11R0.140 CCCCNC(=O)C=CCOC 11a_100000102301_100016285016 [0,1,0,0,0,0|2,0,1]=4 4547 B11R0.140 CCCCNC(=O)C=CCOC 1626a_100000102301_100016285016 [0,1,0,0,0,0|2,0,1]=4 4548 B11R0.140 CCCCNC(=O)C=CCOC 240690a_100000102301_100016285016 [0,1,0,0,0,0|2,0,1]=4 4549 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [0,1,0,0,0,0|2,0,1]=4 4550 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [0,1,0,0,0,0|2,0,1]=4 4551 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [0,1,0,0,0,0|2,0,1]=4 4552 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [0,1,0,0,0,0|2,0,1]=4 4553 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [0,1,0,0,0,0|2,0,1]=4 4554 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [0,1,0,0,0,0|2,0,1]=4 4555 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [0,1,0,0,0,0|2,0,1]=4 4556 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,1,0,0,0,0|2,0,0]=3 4557 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,1,0,0,0,0|2,0,0]=3 4558 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,1,0,0,0,0|2,0,0]=3 4559 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,1,0,0,0,0|2,0,0]=3 4560 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,1,0,0,0,0|2,0,0]=3 4561 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [0,1,0,0,0,0|2,0,0]=3 4562 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [0,1,0,0,0,0|2,0,0]=3 4563 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [0,1,0,0,0,0|2,0,0]=3 4564 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [0,1,0,0,0,0|2,0,0]=3 4565 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [0,1,0,0,0,0|2,0,0]=3 4566 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [0,1,0,0,0,0|2,0,0]=3 4567 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [0,1,0,0,0,0|2,0,0]=3 4568 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [0,1,0,0,0,0|2,0,0]=3 4569 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [0,1,0,0,0,0|2,0,0]=3 4570 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [0,1,0,0,0,0|2,0,0]=3 4571 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [0,1,0,0,0,0|2,0,0]=3 4572 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [0,1,0,0,0,0|2,0,0]=3 4573 B11R0.140 CCCCNC(=O)CNCCF 34a_100000724931_100000182744 [0,1,0,0,0,0|3,0,0]=4 4574 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,1,0,0,0,0|3,0,0]=4 4575 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,1,0,0,0,0|3,0,0]=4 4576 B11R0.140 CCCCNC(=O)COCCBr 34a_100000211926_100000182744 [0,1,0,0,0,0|2,0,0]=3 4577 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [0,1,0,0,0,0|1,0,0]=2 4578 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [0,1,0,0,0,0|1,0,0]=2 4579 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [0,1,0,0,0,0|1,0,0]=2 4580 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [0,1,0,0,0,0|1,0,0]=2 4581 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [0,1,0,0,0,0|1,0,0]=2 4582 B11R0.140 CCCCNC(=O)COCCN 34a_100000210304_100000182744 [0,1,0,0,0,0|2,0,0]=3 4583 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,1,0,0,0,0|2,0,0]=3 4584 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,1,0,0,0,0|2,0,0]=3 4585 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [0,1,0,0,0,0|1,1,0]=3 4586 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [0,1,0,0,0,0|1,1,0]=3 4587 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [0,1,0,0,0,0|1,1,0]=3 4588 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [0,1,0,0,0,0|1,1,0]=3 4589 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [0,1,0,0,0,0|1,1,0]=3 4590 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [0,1,0,0,0,0|1,1,0]=3 4591 B11R0.140 CCCCNC(=O)CSCCF 62a_100000182744_100011217306 [0,1,0,0,0,0|2,1,0]=4 4592 B11R0.140 CCCCNC(=O)CSCCF 62a_100011217306_100000182744 [0,1,0,0,0,0|2,1,0]=4 4593 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,1,0,0,0,0|2,1,0]=4 4594 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,1,0,0,0,0|2,1,0]=4 4595 B11R0.140 CCCCNC(=O)CSCOC 62a_100000182744_100000766300 [0,1,0,0,0,0|2,1,0]=4 4596 B11R0.140 CCCCNC(=O)CSCOC 62a_100000766300_100000182744 [0,1,0,0,0,0|2,1,0]=4 4597 B11R0.140 CCCCNC(=O)CSCSC 62a_100000182744_100011218213 [0,1,0,0,0,0|2,1,0]=4 4598 B11R0.140 CCCCNC(=O)CSCSC 62a_100011218213_100000182744 [0,1,0,0,0,0|2,1,0]=4 4599 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000102301_100000720768 [0,1,0,0,0,0|2,0,1]=4 4600 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000720768_100000102301 [0,1,0,0,0,0|2,0,1]=4 4601 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000102301_100000720768 [0,1,0,0,0,0|2,0,1]=4 4602 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000720768_100000102301 [0,1,0,0,0,0|2,0,1]=4 4603 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000102301_100000720768 [0,1,0,0,0,0|2,0,1]=4 4604 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000720768_100000102301 [0,1,0,0,0,0|2,0,1]=4 4605 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [0,1,0,0,0,0|2,0,0]=3 4606 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [0,1,0,0,0,0|2,0,0]=3 4607 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [0,1,0,0,0,0|2,0,0]=3 4608 B11R0.140 CCCCNC(=O)NCCCF 2708a_100000102301_100015189416 [0,1,0,0,0,0|2,0,0]=3 4609 B11R0.140 CCCCNC(=O)NCCCF 2708a_100015189416_100000102301 [0,1,0,0,0,0|2,0,0]=3 4610 B11R0.140 CCCCNC(=O)NCCCF 273464a_100000102301_100015189416 [0,1,0,0,0,0|2,0,0]=3 4611 B11R0.140 CCCCNC(=O)NCCCF 273464a_100015189416_100000102301 [0,1,0,0,0,0|2,0,0]=3 4612 B11R0.140 CCCCNC(=O)NCCCF 512a_100000102301_100015189416 [0,1,0,0,0,0|2,0,0]=3 4613 B11R0.140 CCCCNC(=O)NCCCF 512a_100015189416_100000102301 [0,1,0,0,0,0|2,0,0]=3 4614 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,1,0,0,0,0|2,0,0]=3 4615 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,1,0,0,0,0|2,0,0]=3 4616 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,1,0,0,0,0|2,0,0]=3 4617 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,1,0,0,0,0|2,0,0]=3 4618 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [0,1,0,0,0,0|2,0,0]=3 4619 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [0,1,0,0,0,0|2,0,0]=3 4620 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [0,1,0,0,0,0|2,0,0]=3 4621 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [0,1,0,0,0,0|2,0,0]=3 4622 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [0,1,0,0,0,0|2,0,0]=3 4623 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [0,1,0,0,0,0|2,0,0]=3 4624 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [0,1,0,0,0,0|2,0,0]=3 4625 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [0,1,0,0,0,0|2,0,0]=3 4626 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [0,1,0,0,0,0|2,0,0]=3 4627 B11R0.140 CCCCNC(=O)NNCCC 273464a_100000102301_100000740057 [0,1,0,0,0,0|2,0,0]=3 4628 B11R0.140 CCCCNC(=O)NNCCC 512a_100000102301_100000740057 [0,1,0,0,0,0|2,0,0]=3 4629 B11R0.140 CCCCNC(=O)NNCCC 512a_100000740057_100000102301 [0,1,0,0,0,0|2,0,0]=3 4630 B11R0.140 CCCCNC(=O)NNCCO 273464a_100000102301_100000210001 [0,1,0,0,0,0|3,0,0]=4 4631 B11R0.140 CCCCNC(=O)NNCCO 512a_100000102301_100000210001 [0,1,0,0,0,0|3,0,0]=4 4632 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [0,1,0,0,0,0|2,0,0]=3 4633 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,1,0,0,0,0|2,0,0]=3 4634 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,1,0,0,0,0|2,0,0]=3 4635 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [0,1,0,0,0,0|2,0,0]=3 4636 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,1,0,0,0,0|1,0,0]=2 4637 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [0,1,0,0,0,0|2,0,0]=3 4638 B11R0.140 CCCCOC(=O)CSCC#N 62a_100000211628_100011215382 [0,1,0,0,0,0|2,0,1]=4 4639 B11R0.140 CCCCOC(=O)CSCC#N 62a_100011215382_100000211628 [0,1,0,0,0,0|2,0,1]=4 4640 B11R0.140 CCCCOC(=O)CSCC=O 62a_100000211628_200015260668 [0,1,0,0,0,0|2,0,1]=4 4641 B11R0.140 CCCCOC(=O)CSCC=O 62a_200015260668_100000211628 [0,1,0,0,0,0|2,0,1]=4 4642 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,1,0,0,0,0|1,0,0]=2 4643 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,1,0,0,0,0|1,0,0]=2 4644 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [0,1,0,0,0,0|2,0,0]=3 4645 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [0,1,0,0,0,0|2,0,0]=3 4646 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,1,0,0,0,0|2,0,0]=3 4647 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,1,0,0,0,0|2,0,0]=3 4648 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [0,1,0,0,0,0|2,0,0]=3 4649 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [0,1,0,0,0,0|2,0,0]=3 4650 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [0,1,0,0,0,0|2,0,0]=3 4651 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [0,1,0,0,0,0|2,0,0]=3 4652 B11R0.140 CCCCOC(C)CCCOC 34a_200011539412_100000210210 [0,1,0,0,0,0|2,0,1]=4 4653 B11R0.140 CCCCOC(C)CCCOC 7a_200011539412_100000210211 [0,1,0,0,0,0|2,0,1]=4 4654 B11R0.140 CCCNCC(=O)NCCOC 2230a_100000754632_100000210303 [0,1,0,0,0,0|2,0,0]=3 4655 B11R0.140 CCCNN=C(C)CCCSC 4a_100000740057_100011399439 [0,1,0,0,0,0|3,0,0]=4 4656 B11R0.140 CCCNN=C(C)CCOCC 4a_100000740057_200011216536 [0,1,0,0,0,0|3,0,0]=4 4657 B11R0.140 CCCNN=C(C)CSCCC 4a_100000740057_100011343953 [0,1,0,0,0,0|3,0,0]=4 4658 B11R0.140 CCCNNC(=O)CCCC#N 22a_100000740057_100000075515 [0,1,0,0,0,0|2,0,1]=4 4659 B11R0.140 CCCNNC(=O)CCCOC 22a_100000740057_100000741012 [0,1,0,0,0,0|2,0,0]=3 4660 B11R0.140 CCCNNC(=O)CCCSC 22a_100000740057_100000173376 [0,1,0,0,0,0|2,0,0]=3 4661 B11R0.140 CCCNNC(=O)CCOCC 22a_100000740057_100000749530 [0,1,0,0,0,0|2,0,0]=3 4662 B11R0.140 CCCNNC(=O)CCSCC 22a_100000740057_100000230768 [0,1,0,0,0,0|2,0,0]=3 4663 B11R0.140 CCCNNC(=O)COCCC 22a_100000740057_100000745993 [0,1,0,0,0,0|2,0,0]=3 4664 B11R0.140 CCCNNC(=O)CSCCC 22a_100000740057_100000217233 [0,1,0,0,0,0|2,0,0]=3 4665 B11R0.140 CCCNNC(=O)NCCCF 273464a_100015189416_100000740057 [0,1,0,0,0,0|3,0,0]=4 4666 B11R0.140 CCCNNC(=O)NCCCF 512a_100000740057_100015189416 [0,1,0,0,0,0|3,0,0]=4 4667 B11R0.140 CCCNNC(=O)NCCCF 512a_100015189416_100000740057 [0,1,0,0,0,0|3,0,0]=4 4668 B11R0.140 CCCNNC(=O)NCCCO 273464a_100000182051_100000740057 [0,1,0,0,0,0|3,0,0]=4 4669 B11R0.140 CCCNNC(=O)NCCCO 512a_100000740057_100000182051 [0,1,0,0,0,0|3,0,0]=4 4670 B11R0.140 CCCNNC(=O)NCCOC 273464a_100000209980_100000740057 [0,1,0,0,0,0|3,0,0]=4 4671 B11R0.140 CCCNNC(=O)NCCSC 273464a_100020590264_100000740057 [0,1,0,0,0,0|3,0,0]=4 4672 B11R0.140 CCCNNC(=O)NCCSC 512a_100000740057_100020590264 [0,1,0,0,0,0|3,0,0]=4 4673 B11R0.140 CCCNNC(=O)NCCSC 512a_100020590264_100000740057 [0,1,0,0,0,0|3,0,0]=4 4674 B11R0.140 CCCNNC(=O)NNCCC 512a_100000740057_100000740057 [0,1,0,0,0,0|3,0,0]=4 4675 B11R0.140 CCCOCC(=O)CC#CCO 1458a_100000745993_200000047223 [0,1,0,0,0,0|1,0,2]=4 4676 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [0,1,0,0,0,0|1,0,1]=3 4677 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,1,0,0,0,0|1,0,0]=2 4678 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,1,0,0,0,0|1,0,0]=2 4679 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,1,0,0,0,0|1,0,0]=2 4680 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,1,0,0,0,0|1,0,0]=2 4681 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,1,0,0,0,0|1,0,0]=2 4682 B11R0.140 CCCOCC(=O)NCCC#N 11a_100000720768_100000745993 [0,1,0,0,0,0|2,0,1]=4 4683 B11R0.140 CCCOCC(=O)NCCC#N 1626a_100000720768_100000745993 [0,1,0,0,0,0|2,0,1]=4 4684 B11R0.140 CCCOCC(=O)NCCC#N 240690a_100000720768_100000745993 [0,1,0,0,0,0|2,0,1]=4 4685 B11R0.140 CCCOCC(=O)NCCC#N 527a_100000720768_100000745993 [0,1,0,0,0,0|2,0,1]=4 4686 B11R0.140 CCCOCC(=O)NCCCF 11a_100015189416_100000745993 [0,1,0,0,0,0|2,0,0]=3 4687 B11R0.140 CCCOCC(=O)NCCCF 1626a_100015189416_100000745993 [0,1,0,0,0,0|2,0,0]=3 4688 B11R0.140 CCCOCC(=O)NCCCF 240690a_100015189416_100000745993 [0,1,0,0,0,0|2,0,0]=3 4689 B11R0.140 CCCOCC(=O)NCCCF 527a_100015189416_100000745993 [0,1,0,0,0,0|2,0,0]=3 4690 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,1,0,0,0,0|2,0,0]=3 4691 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,1,0,0,0,0|2,0,0]=3 4692 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [0,1,0,0,0,0|2,0,0]=3 4693 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [0,1,0,0,0,0|2,0,0]=3 4694 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [0,1,0,0,0,0|2,0,0]=3 4695 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [0,1,0,0,0,0|2,0,0]=3 4696 B11R0.140 CCCOCC(=O)NCCSC 11a_100020590264_100000745993 [0,1,0,0,0,0|2,0,0]=3 4697 B11R0.140 CCCOCC(=O)NCCSC 1626a_100020590264_100000745993 [0,1,0,0,0,0|2,0,0]=3 4698 B11R0.140 CCCOCC(=O)NCCSC 240690a_100020590264_100000745993 [0,1,0,0,0,0|2,0,0]=3 4699 B11R0.140 CCCOCC(=O)NCCSC 527a_100020590264_100000745993 [0,1,0,0,0,0|2,0,0]=3 4700 B11R0.140 CCCOCC(=O)NNCCO 22a_100000210001_100000745993 [0,1,0,0,0,0|3,0,0]=4 4701 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,1,0,0,0,0|1,0,0]=2 4702 B11R0.140 CCCOC[C@@H](N)CCCCN 34a_100016993712_100000210303 [0,1,0,0,0,0|2,0,1]=4 4703 B11R0.140 CCCSCC(=O)CCCC#N 1458a_100000217233_100000211468 [0,1,0,0,0,0|1,1,1]=4 4704 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,1,0,0,0,0|1,1,0]=3 4705 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,1,0,0,0,0|1,1,0]=3 4706 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,1,0,0,0,0|1,1,0]=3 4707 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [0,1,0,0,0,0|1,1,0]=3 4708 B11R0.140 CCCSCC(=O)CCSCC 1458a_100000217233_100000757381 [0,1,0,0,0,0|1,1,0]=3 4709 B11R0.140 CCCSCC(=O)NCCC#N 11a_100000720768_100000217233 [0,1,0,0,0,0|2,0,1]=4 4710 B11R0.140 CCCSCC(=O)NCCC#N 1626a_100000720768_100000217233 [0,1,0,0,0,0|2,0,1]=4 4711 B11R0.140 CCCSCC(=O)NCCC#N 240690a_100000720768_100000217233 [0,1,0,0,0,0|2,0,1]=4 4712 B11R0.140 CCCSCC(=O)NCCC#N 527a_100000720768_100000217233 [0,1,0,0,0,0|2,0,1]=4 4713 B11R0.140 CCCSCC(=O)NCCCF 11a_100015189416_100000217233 [0,1,0,0,0,0|2,0,0]=3 4714 B11R0.140 CCCSCC(=O)NCCCF 1626a_100015189416_100000217233 [0,1,0,0,0,0|2,0,0]=3 4715 B11R0.140 CCCSCC(=O)NCCCF 240690a_100015189416_100000217233 [0,1,0,0,0,0|2,0,0]=3 4716 B11R0.140 CCCSCC(=O)NCCCF 527a_100015189416_100000217233 [0,1,0,0,0,0|2,0,0]=3 4717 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,1,0,0,0,0|2,0,0]=3 4718 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,1,0,0,0,0|2,0,0]=3 4719 B11R0.140 CCCSCC(=O)NCCOC 1626a_100000209980_100000217233 [0,1,0,0,0,0|2,0,0]=3 4720 B11R0.140 CCCSCC(=O)NCCOC 240690a_100000209980_100000217233 [0,1,0,0,0,0|2,0,0]=3 4721 B11R0.140 CCCSCC(=O)NCCOC 527a_100000209980_100000217233 [0,1,0,0,0,0|2,0,0]=3 4722 B11R0.140 CCCSCC(=O)NCCOC 62a_100000183275_100000210303 [0,1,0,0,0,0|2,0,0]=3 4723 B11R0.140 CCCSCC(=O)NCCOC 62a_100000210303_100000183275 [0,1,0,0,0,0|2,0,0]=3 4724 B11R0.140 CCCSCC(=O)NCCSC 11a_100020590264_100000217233 [0,1,0,0,0,0|2,0,0]=3 4725 B11R0.140 CCCSCC(=O)NCCSC 1626a_100020590264_100000217233 [0,1,0,0,0,0|2,0,0]=3 4726 B11R0.140 CCCSCC(=O)NCCSC 240690a_100020590264_100000217233 [0,1,0,0,0,0|2,0,0]=3 4727 B11R0.140 CCCSCC(=O)NCCSC 527a_100020590264_100000217233 [0,1,0,0,0,0|2,0,0]=3 4728 B11R0.140 CCCSCC(=O)NNCCO 22a_100000210001_100000217233 [0,1,0,0,0,0|3,0,0]=4 4729 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,1,0,0,0,0|1,0,0]=2 4730 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,1,0,0,0,0|1,0,0]=2 4731 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,1,0,0,0,0|2,0,1]=4 4732 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,1,0,0,0,0|2,0,1]=4 4733 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [0,1,0,0,0,0|2,0,1]=4 4734 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [0,1,0,0,0,0|2,0,1]=4 4735 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [0,1,0,0,0,0|2,0,1]=4 4736 B11R0.140 CCOCCC(=O)C=CCOC 1458a_100016285016_100011215890 [0,1,0,0,0,0|2,0,1]=4 4737 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [0,1,0,0,0,0|2,0,1]=4 4738 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [0,1,0,0,0,0|2,0,1]=4 4739 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,1,0,0,0,0|2,0,0]=3 4740 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,1,0,0,0,0|2,0,0]=3 4741 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,1,0,0,0,0|2,0,0]=3 4742 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,1,0,0,0,0|2,0,0]=3 4743 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,1,0,0,0,0|2,0,0]=3 4744 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [0,1,0,0,0,0|2,0,0]=3 4745 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [0,1,0,0,0,0|2,0,0]=3 4746 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [0,1,0,0,0,0|2,0,0]=3 4747 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [0,1,0,0,0,0|2,0,0]=3 4748 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,1,0,0,0,0|2,0,0]=3 4749 B11R0.140 CCOCCC(=O)NCCC#N 11a_100000720768_100000749530 [0,1,0,0,0,0|2,0,1]=4 4750 B11R0.140 CCOCCC(=O)NCCC#N 1626a_100000720768_100000749530 [0,1,0,0,0,0|2,0,1]=4 4751 B11R0.140 CCOCCC(=O)NCCC#N 240690a_100000720768_100000749530 [0,1,0,0,0,0|2,0,1]=4 4752 B11R0.140 CCOCCC(=O)NCCC#N 527a_100000720768_100000749530 [0,1,0,0,0,0|2,0,1]=4 4753 B11R0.140 CCOCCC(=O)NCCCF 11a_100015189416_100000749530 [0,1,0,0,0,0|2,0,0]=3 4754 B11R0.140 CCOCCC(=O)NCCCF 1626a_100015189416_100000749530 [0,1,0,0,0,0|2,0,0]=3 4755 B11R0.140 CCOCCC(=O)NCCCF 240690a_100015189416_100000749530 [0,1,0,0,0,0|2,0,0]=3 4756 B11R0.140 CCOCCC(=O)NCCCF 527a_100015189416_100000749530 [0,1,0,0,0,0|2,0,0]=3 4757 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,1,0,0,0,0|2,0,0]=3 4758 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,1,0,0,0,0|2,0,0]=3 4759 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [0,1,0,0,0,0|2,0,0]=3 4760 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [0,1,0,0,0,0|2,0,0]=3 4761 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [0,1,0,0,0,0|2,0,0]=3 4762 B11R0.140 CCOCCC(=O)NCCSC 11a_100020590264_100000749530 [0,1,0,0,0,0|2,0,0]=3 4763 B11R0.140 CCOCCC(=O)NCCSC 1626a_100020590264_100000749530 [0,1,0,0,0,0|2,0,0]=3 4764 B11R0.140 CCOCCC(=O)NCCSC 240690a_100020590264_100000749530 [0,1,0,0,0,0|2,0,0]=3 4765 B11R0.140 CCOCCC(=O)NCCSC 527a_100020590264_100000749530 [0,1,0,0,0,0|2,0,0]=3 4766 B11R0.140 CCOCCC(=O)NNCCO 22a_100000210001_100000749530 [0,1,0,0,0,0|3,0,0]=4 4767 B11R0.140 CCSCCC(=O)C=CCOC 1458a_100016285016_100000757381 [0,1,0,0,0,0|2,0,1]=4 4768 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000075515_100000757381 [0,1,0,0,0,0|2,0,1]=4 4769 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000230768_100000211468 [0,1,0,0,0,0|2,0,1]=4 4770 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,1,0,0,0,0|2,0,0]=3 4771 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,1,0,0,0,0|2,0,0]=3 4772 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,1,0,0,0,0|2,0,0]=3 4773 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,1,0,0,0,0|2,0,0]=3 4774 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,1,0,0,0,0|2,0,0]=3 4775 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [0,1,0,0,0,0|2,0,0]=3 4776 B11R0.140 CCSCCC(=O)CCSCC 1458a_100000230768_100000757381 [0,1,0,0,0,0|2,0,0]=3 4777 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,1,0,0,0,0|2,0,0]=3 4778 B11R0.140 CCSCCC(=O)NCCC#N 11a_100000720768_100000230768 [0,1,0,0,0,0|2,0,1]=4 4779 B11R0.140 CCSCCC(=O)NCCC#N 1626a_100000720768_100000230768 [0,1,0,0,0,0|2,0,1]=4 4780 B11R0.140 CCSCCC(=O)NCCC#N 240690a_100000720768_100000230768 [0,1,0,0,0,0|2,0,1]=4 4781 B11R0.140 CCSCCC(=O)NCCC#N 527a_100000720768_100000230768 [0,1,0,0,0,0|2,0,1]=4 4782 B11R0.140 CCSCCC(=O)NCCCF 11a_100015189416_100000230768 [0,1,0,0,0,0|2,0,0]=3 4783 B11R0.140 CCSCCC(=O)NCCCF 1626a_100015189416_100000230768 [0,1,0,0,0,0|2,0,0]=3 4784 B11R0.140 CCSCCC(=O)NCCCF 240690a_100015189416_100000230768 [0,1,0,0,0,0|2,0,0]=3 4785 B11R0.140 CCSCCC(=O)NCCCF 527a_100015189416_100000230768 [0,1,0,0,0,0|2,0,0]=3 4786 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,1,0,0,0,0|2,0,0]=3 4787 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,1,0,0,0,0|2,0,0]=3 4788 B11R0.140 CCSCCC(=O)NCCOC 1626a_100000209980_100000230768 [0,1,0,0,0,0|2,0,0]=3 4789 B11R0.140 CCSCCC(=O)NCCOC 240690a_100000209980_100000230768 [0,1,0,0,0,0|2,0,0]=3 4790 B11R0.140 CCSCCC(=O)NCCOC 527a_100000209980_100000230768 [0,1,0,0,0,0|2,0,0]=3 4791 B11R0.140 CCSCCC(=O)NCCSC 11a_100020590264_100000230768 [0,1,0,0,0,0|2,0,0]=3 4792 B11R0.140 CCSCCC(=O)NCCSC 1626a_100020590264_100000230768 [0,1,0,0,0,0|2,0,0]=3 4793 B11R0.140 CCSCCC(=O)NCCSC 240690a_100020590264_100000230768 [0,1,0,0,0,0|2,0,0]=3 4794 B11R0.140 CCSCCC(=O)NCCSC 527a_100020590264_100000230768 [0,1,0,0,0,0|2,0,0]=3 4795 B11R0.140 CCSCCC(=O)NNCCO 22a_100000210001_100000230768 [0,1,0,0,0,0|3,0,0]=4 4796 B11R0.140 COCC=CC(=O)CCCCF 1458a_100016285016_100000729493 [0,1,0,0,0,0|2,0,1]=4 4797 B11R0.140 COCC=CC(=O)CCCCO 1458a_100016285016_100000210776 [0,1,0,0,0,0|2,0,1]=4 4798 B11R0.140 COCC=CC(=O)CCCOC 1458a_100016285016_100000740836 [0,1,0,0,0,0|2,0,1]=4 4799 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000075515_100000740836 [0,1,0,0,0,0|2,0,1]=4 4800 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000741012_100000211468 [0,1,0,0,0,0|2,0,1]=4 4801 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,1,0,0,0,0|2,0,0]=3 4802 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,1,0,0,0,0|2,0,0]=3 4803 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,1,0,0,0,0|2,0,0]=3 4804 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,1,0,0,0,0|2,0,0]=3 4805 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,1,0,0,0,0|2,0,0]=3 4806 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,1,0,0,0,0|2,0,0]=3 4807 B11R0.140 COCCCC(=O)NCCC#N 11a_100000720768_100000741012 [0,1,0,0,0,0|2,0,1]=4 4808 B11R0.140 COCCCC(=O)NCCC#N 1626a_100000720768_100000741012 [0,1,0,0,0,0|2,0,1]=4 4809 B11R0.140 COCCCC(=O)NCCC#N 240690a_100000720768_100000741012 [0,1,0,0,0,0|2,0,1]=4 4810 B11R0.140 COCCCC(=O)NCCC#N 527a_100000720768_100000741012 [0,1,0,0,0,0|2,0,1]=4 4811 B11R0.140 COCCCC(=O)NCCCF 11a_100015189416_100000741012 [0,1,0,0,0,0|2,0,0]=3 4812 B11R0.140 COCCCC(=O)NCCCF 1626a_100015189416_100000741012 [0,1,0,0,0,0|2,0,0]=3 4813 B11R0.140 COCCCC(=O)NCCCF 240690a_100015189416_100000741012 [0,1,0,0,0,0|2,0,0]=3 4814 B11R0.140 COCCCC(=O)NCCCF 527a_100015189416_100000741012 [0,1,0,0,0,0|2,0,0]=3 4815 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,1,0,0,0,0|2,0,0]=3 4816 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,1,0,0,0,0|2,0,0]=3 4817 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [0,1,0,0,0,0|2,0,0]=3 4818 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [0,1,0,0,0,0|2,0,0]=3 4819 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [0,1,0,0,0,0|2,0,0]=3 4820 B11R0.140 COCCCC(=O)NCCSC 11a_100020590264_100000741012 [0,1,0,0,0,0|2,0,0]=3 4821 B11R0.140 COCCCC(=O)NCCSC 1626a_100020590264_100000741012 [0,1,0,0,0,0|2,0,0]=3 4822 B11R0.140 COCCCC(=O)NCCSC 240690a_100020590264_100000741012 [0,1,0,0,0,0|2,0,0]=3 4823 B11R0.140 COCCCC(=O)NCCSC 527a_100020590264_100000741012 [0,1,0,0,0,0|2,0,0]=3 4824 B11R0.140 COCCCC(=O)NNCCO 22a_100000210001_100000741012 [0,1,0,0,0,0|3,0,0]=4 4825 B11R0.140 COCCCC(C)OCCCF 34a_200011539412_100011934791 [0,1,0,0,0,0|2,0,1]=4 4826 B11R0.140 COCCCC(C)OCCCF 7a_200011539412_100011934791 [0,1,0,0,0,0|2,0,1]=4 4827 B11R0.140 COCCCC(C)OCCCO 34a_200011539412_100000230001 [0,1,0,0,0,0|2,0,1]=4 4828 B11R0.140 COCCCC(C)OCCCO 7a_200011539412_100011215043 [0,1,0,0,0,0|2,0,1]=4 4829 B11R0.140 COCCCC(C)OCCOC 34a_200011539412_100011201679 [0,1,0,0,0,0|2,0,1]=4 4830 B11R0.140 COCCCC(C)OCCOC 7a_200011539412_100000233755 [0,1,0,0,0,0|2,0,1]=4 4831 B11R0.140 COCCCC(C)OCCSC 34a_200011539412_100000212216 [0,1,0,0,0,0|2,0,1]=4 4832 B11R0.140 COCCCC(C)OCCSC 7a_200011539412_100000212216 [0,1,0,0,0,0|2,0,1]=4 4833 B11R0.140 COCCNC(=O)CCCC#N 1626a_100000209980_100000075515 [0,1,0,0,0,0|2,0,1]=4 4834 B11R0.140 COCCNC(=O)CCCC#N 240690a_100000209980_100000075515 [0,1,0,0,0,0|2,0,1]=4 4835 B11R0.140 COCCNC(=O)CCCC#N 527a_100000209980_100000075515 [0,1,0,0,0,0|2,0,1]=4 4836 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,1,0,0,0,0|2,0,0]=3 4837 B11R0.140 COCCNC(=O)CCCSC 1626a_100000209980_100000173376 [0,1,0,0,0,0|2,0,0]=3 4838 B11R0.140 COCCNC(=O)CCCSC 240690a_100000209980_100000173376 [0,1,0,0,0,0|2,0,0]=3 4839 B11R0.140 COCCNC(=O)CCCSC 527a_100000209980_100000173376 [0,1,0,0,0,0|2,0,0]=3 4840 B11R0.140 COCCNC(=O)CNCCF 2230a_100000754632_100011217306 [0,1,0,0,0,0|3,0,0]=4 4841 B11R0.140 COCCNC(=O)CNCCF 34a_100000724931_100000183275 [0,1,0,0,0,0|3,0,0]=4 4842 B11R0.140 COCCNC(=O)CNCCO 2230a_100000754632_100000211926 [0,1,0,0,0,0|3,0,0]=4 4843 B11R0.140 COCCNC(=O)CNCCO 2230a_100016997473_100000183275 [0,1,0,0,0,0|3,0,0]=4 4844 B11R0.140 COCCNC(=O)CNCCO 34a_100016990907_100000183275 [0,1,0,0,0,0|3,0,0]=4 4845 B11R0.140 COCCNC(=O)CNCOC 2230a_100000754632_100000766300 [0,1,0,0,0,0|3,0,0]=4 4846 B11R0.140 COCCNC(=O)CNCSC 2230a_100000754632_100011218213 [0,1,0,0,0,0|3,0,0]=4 4847 B11R0.140 COCCNC(=O)COCCBr 34a_100000211926_100000183275 [0,1,0,0,0,0|3,0,0]=4 4848 B11R0.140 COCCNC(=O)COCCN 34a_100000210304_100000183275 [0,1,0,0,0,0|3,0,0]=4 4849 B11R0.140 COCCNC(=O)COCCO 1626a_100000209980_100000708028 [0,1,0,0,0,0|3,0,0]=4 4850 B11R0.140 COCCNC(=O)COCCO 240690a_100000209980_100000708028 [0,1,0,0,0,0|3,0,0]=4 4851 B11R0.140 COCCNC(=O)CSCCF 62a_100000183275_100011217306 [0,1,0,0,0,0|3,0,0]=4 4852 B11R0.140 COCCNC(=O)CSCCF 62a_100011217306_100000183275 [0,1,0,0,0,0|3,0,0]=4 4853 B11R0.140 COCCNC(=O)CSCCO 62a_100000183275_100000211926 [0,1,0,0,0,0|3,0,0]=4 4854 B11R0.140 COCCNC(=O)CSCCO 62a_100000211926_100000183275 [0,1,0,0,0,0|3,0,0]=4 4855 B11R0.140 COCCNC(=O)CSCOC 62a_100000183275_100000766300 [0,1,0,0,0,0|3,0,0]=4 4856 B11R0.140 COCCNC(=O)CSCOC 62a_100000766300_100000183275 [0,1,0,0,0,0|3,0,0]=4 4857 B11R0.140 COCCNC(=O)CSCSC 62a_100000183275_100011218213 [0,1,0,0,0,0|3,0,0]=4 4858 B11R0.140 COCCNC(=O)CSCSC 62a_100011218213_100000183275 [0,1,0,0,0,0|3,0,0]=4 4859 B11R0.140 COCCNC(=O)NCCCF 2708a_100015189416_100000209980 [0,1,0,0,0,0|3,0,0]=4 4860 B11R0.140 COCCNC(=O)NCCCF 273464a_100000209980_100015189416 [0,1,0,0,0,0|3,0,0]=4 4861 B11R0.140 COCCNC(=O)NCCCF 273464a_100015189416_100000209980 [0,1,0,0,0,0|3,0,0]=4 4862 B11R0.140 COCCNC(=O)NCCCO 273464a_100000182051_100000209980 [0,1,0,0,0,0|3,0,0]=4 4863 B11R0.140 COCCNC(=O)NCCCO 273464a_100000209980_100000182051 [0,1,0,0,0,0|3,0,0]=4 4864 B11R0.140 COCCNC(=O)NCCOC 273464a_100000209980_100000209980 [0,1,0,0,0,0|3,0,0]=4 4865 B11R0.140 COCCNC(=O)NCCSC 2708a_100020590264_100000209980 [0,1,0,0,0,0|3,0,0]=4 4866 B11R0.140 COCCNC(=O)NCCSC 273464a_100000209980_100020590264 [0,1,0,0,0,0|3,0,0]=4 4867 B11R0.140 COCCNC(=O)NCCSC 273464a_100020590264_100000209980 [0,1,0,0,0,0|3,0,0]=4 4868 B11R0.140 COCCOC(=O)CNCCF 34a_100000724931_200000040189 [0,1,0,0,0,0|2,0,0]=3 4869 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [0,1,0,0,0,0|2,0,0]=3 4870 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [0,1,0,0,0,0|2,0,0]=3 4871 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [0,1,0,0,0,0|2,0,0]=3 4872 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [0,1,0,0,0,0|2,0,0]=3 4873 B11R0.140 COCCOC(=O)CSCC#N 62a_100011215382_200000040189 [0,1,0,0,0,0|2,0,1]=4 4874 B11R0.140 COCCOC(=O)CSCC#N 62a_200000040189_100011215382 [0,1,0,0,0,0|2,0,1]=4 4875 B11R0.140 COCCOC(=O)CSCC=O 62a_200000040189_200015260668 [0,1,0,0,0,0|2,0,1]=4 4876 B11R0.140 COCCOC(=O)CSCC=O 62a_200015260668_200000040189 [0,1,0,0,0,0|2,0,1]=4 4877 B11R0.140 COCCOC(=O)CSCCF 62a_100011217306_200000040189 [0,1,0,0,0,0|2,0,0]=3 4878 B11R0.140 COCCOC(=O)CSCCF 62a_200000040189_100011217306 [0,1,0,0,0,0|2,0,0]=3 4879 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [0,1,0,0,0,0|2,0,0]=3 4880 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [0,1,0,0,0,0|2,0,0]=3 4881 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [0,1,0,0,0,0|2,0,0]=3 4882 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [0,1,0,0,0,0|2,0,0]=3 4883 B11R0.140 COCCOC(=O)CSCSC 62a_100011218213_200000040189 [0,1,0,0,0,0|2,0,0]=3 4884 B11R0.140 COCCOC(=O)CSCSC 62a_200000040189_100011218213 [0,1,0,0,0,0|2,0,0]=3 4885 B11R0.140 CSCCCC(=O)CCCC#N 1458a_100000173376_100000211468 [0,1,0,0,0,0|2,0,1]=4 4886 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,1,0,0,0,0|2,0,0]=3 4887 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,1,0,0,0,0|2,0,0]=3 4888 B11R0.140 CSCCCC(=O)NCCC#N 11a_100000720768_100000173376 [0,1,0,0,0,0|2,0,1]=4 4889 B11R0.140 CSCCCC(=O)NCCC#N 1626a_100000720768_100000173376 [0,1,0,0,0,0|2,0,1]=4 4890 B11R0.140 CSCCCC(=O)NCCC#N 240690a_100000720768_100000173376 [0,1,0,0,0,0|2,0,1]=4 4891 B11R0.140 CSCCCC(=O)NCCC#N 527a_100000720768_100000173376 [0,1,0,0,0,0|2,0,1]=4 4892 B11R0.140 CSCCCC(=O)NCCCF 11a_100015189416_100000173376 [0,1,0,0,0,0|2,0,0]=3 4893 B11R0.140 CSCCCC(=O)NCCCF 1626a_100015189416_100000173376 [0,1,0,0,0,0|2,0,0]=3 4894 B11R0.140 CSCCCC(=O)NCCCF 240690a_100015189416_100000173376 [0,1,0,0,0,0|2,0,0]=3 4895 B11R0.140 CSCCCC(=O)NCCCF 527a_100015189416_100000173376 [0,1,0,0,0,0|2,0,0]=3 4896 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,1,0,0,0,0|2,0,0]=3 4897 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,1,0,0,0,0|2,0,0]=3 4898 B11R0.140 CSCCCC(=O)NCCSC 11a_100020590264_100000173376 [0,1,0,0,0,0|2,0,0]=3 4899 B11R0.140 CSCCCC(=O)NCCSC 1626a_100020590264_100000173376 [0,1,0,0,0,0|2,0,0]=3 4900 B11R0.140 CSCCCC(=O)NCCSC 240690a_100020590264_100000173376 [0,1,0,0,0,0|2,0,0]=3 4901 B11R0.140 CSCCCC(=O)NCCSC 527a_100020590264_100000173376 [0,1,0,0,0,0|2,0,0]=3 4902 B11R0.140 CSCCCC(=O)NNCCO 22a_100000210001_100000173376 [0,1,0,0,0,0|3,0,0]=4 4903 B11R0.140 CSCCNC(=O)CCCC#N 11a_100020590264_100000075515 [0,1,0,0,0,0|2,0,1]=4 4904 B11R0.140 CSCCNC(=O)CCCC#N 1626a_100020590264_100000075515 [0,1,0,0,0,0|2,0,1]=4 4905 B11R0.140 CSCCNC(=O)CCCC#N 240690a_100020590264_100000075515 [0,1,0,0,0,0|2,0,1]=4 4906 B11R0.140 CSCCNC(=O)CCCC#N 527a_100020590264_100000075515 [0,1,0,0,0,0|2,0,1]=4 4907 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [0,1,0,0,0,0|2,0,0]=3 4908 B11R0.140 CSCCNC(=O)COCCO 1626a_100020590264_100000708028 [0,1,0,0,0,0|3,0,0]=4 4909 B11R0.140 CSCCNC(=O)COCCO 240690a_100020590264_100000708028 [0,1,0,0,0,0|3,0,0]=4 4910 B11R0.140 CSCCNC(=O)NCCCF 2708a_100015189416_100020590264 [0,1,0,0,0,0|3,0,0]=4 4911 B11R0.140 CSCCNC(=O)NCCCF 2708a_100020590264_100015189416 [0,1,0,0,0,0|3,0,0]=4 4912 B11R0.140 CSCCNC(=O)NCCCF 273464a_100015189416_100020590264 [0,1,0,0,0,0|3,0,0]=4 4913 B11R0.140 CSCCNC(=O)NCCCF 273464a_100020590264_100015189416 [0,1,0,0,0,0|3,0,0]=4 4914 B11R0.140 CSCCNC(=O)NCCCF 512a_100015189416_100020590264 [0,1,0,0,0,0|3,0,0]=4 4915 B11R0.140 CSCCNC(=O)NCCCF 512a_100020590264_100015189416 [0,1,0,0,0,0|3,0,0]=4 4916 B11R0.140 CSCCNC(=O)NCCCO 2708a_100020590264_100000182051 [0,1,0,0,0,0|3,0,0]=4 4917 B11R0.140 CSCCNC(=O)NCCCO 273464a_100000182051_100020590264 [0,1,0,0,0,0|3,0,0]=4 4918 B11R0.140 CSCCNC(=O)NCCCO 273464a_100020590264_100000182051 [0,1,0,0,0,0|3,0,0]=4 4919 B11R0.140 CSCCNC(=O)NCCCO 512a_100020590264_100000182051 [0,1,0,0,0,0|3,0,0]=4 4920 B11R0.140 CSCCNC(=O)NCCSC 2708a_100020590264_100020590264 [0,1,0,0,0,0|3,0,0]=4 4921 B11R0.140 CSCCNC(=O)NCCSC 273464a_100020590264_100020590264 [0,1,0,0,0,0|3,0,0]=4 4922 B11R0.140 CSCCNC(=O)NCCSC 512a_100020590264_100020590264 [0,1,0,0,0,0|3,0,0]=4 4923 B11R0.140 N#CCCCC(=O)CCCCF 1458a_100000075515_100000729493 [0,1,0,0,0,0|2,0,1]=4 4924 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [0,1,0,0,0,0|2,0,1]=4 4925 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [0,1,0,0,0,0|2,0,1]=4 4926 B11R0.140 N#CCCCC(=O)COCCO 1458a_100000708028_100000211468 [0,1,0,0,0,0|2,0,1]=4 4927 B11R0.140 N#CCCCC(=O)NCCCF 11a_100015189416_100000075515 [0,1,0,0,0,0|2,0,1]=4 4928 B11R0.140 N#CCCCC(=O)NCCCF 1626a_100015189416_100000075515 [0,1,0,0,0,0|2,0,1]=4 4929 B11R0.140 N#CCCCC(=O)NCCCF 240690a_100015189416_100000075515 [0,1,0,0,0,0|2,0,1]=4 4930 B11R0.140 N#CCCCC(=O)NCCCF 527a_100015189416_100000075515 [0,1,0,0,0,0|2,0,1]=4 4931 B11R0.140 N#CCCCC(=O)NCCCO 240690a_100000182051_100000075515 [0,1,0,0,0,0|2,0,1]=4 4932 B11R0.140 N#CCCCC(=O)NCCCO 527a_100000182051_100000075515 [0,1,0,0,0,0|2,0,1]=4 4933 B11R0.140 N#CCCNC(=O)CCCCO 1626a_100000720768_100000695505 [0,1,0,0,0,0|2,0,1]=4 4934 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,1,0,0,0,0|2,0,0]=3 4935 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,1,0,0,0,0|2,0,0]=3 4936 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,1,0,0,0,0|2,0,0]=3 4937 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,1,0,0,0,0|2,0,0]=3 4938 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [0,1,0,0,0,0|2,0,0]=3 4939 B11R0.140 O=C(COCCO)NCCCF 1626a_100015189416_100000708028 [0,1,0,0,0,0|3,0,0]=4 4940 B11R0.140 O=C(COCCO)NCCCF 240690a_100015189416_100000708028 [0,1,0,0,0,0|3,0,0]=4 4941 B11R0.140 O=C(COCCO)NCCCO 240690a_100000182051_100000708028 [0,1,0,0,0,0|3,0,0]=4 4942 B11R0.140 O=C(NCCCF)NCCCF 2708a_100015189416_100015189416 [0,1,0,0,0,0|3,0,0]=4 4943 B11R0.140 O=C(NCCCF)NCCCF 273464a_100015189416_100015189416 [0,1,0,0,0,0|3,0,0]=4 4944 B11R0.140 O=C(NCCCF)NCCCF 512a_100015189416_100015189416 [0,1,0,0,0,0|3,0,0]=4 4945 B11R0.140 O=C(NCCCO)NCCCF 2708a_100015189416_100000182051 [0,1,0,0,0,0|3,0,0]=4 4946 B11R0.140 O=C(NCCCO)NCCCF 273464a_100000182051_100015189416 [0,1,0,0,0,0|3,0,0]=4 4947 B11R0.140 O=C(NCCCO)NCCCF 273464a_100015189416_100000182051 [0,1,0,0,0,0|3,0,0]=4 4948 B11R0.140 O=C(NCCCO)NCCCF 512a_100015189416_100000182051 [0,1,0,0,0,0|3,0,0]=4 4949 B11R0.140 O=C(NCCCO)NCCCO 273464a_100000182051_100000182051 [0,1,0,0,0,0|3,0,0]=4 4950 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,1,0,0,0,0|1,0,2]=4 4951 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,1,0,0,0,0|1,0,2]=4 4952 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,1,0,0,0,0|1,0,2]=4 4953 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 4954 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 4955 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 4956 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,1,0,0,0,0|1,0,2]=4 4957 B11R0.147 C#CCNC(=O)CCCC(C)O 1626a_100000212058_100000761597 [0,1,0,0,0,0|1,0,2]=4 4958 B11R0.147 C#CCNC(=O)CCCC(C)O 527a_100000212058_100000761597 [0,1,0,0,0,0|1,0,2]=4 4959 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,1,0,0,0,0|1,0,2]=4 4960 B11R0.147 C=C(C)CNCC(=O)NCCC 2230a_100000174927_100000748629 [0,1,0,0,0,0|2,0,1]=4 4961 B11R0.147 C=C(C)COCC(=O)NCCC 34a_100000210245_100000183358 [0,1,0,0,0,0|2,0,1]=4 4962 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,1,0,0,0,0|1,0,1]=3 4963 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000183358_100000211660 [0,1,0,0,0,0|2,0,1]=4 4964 B11R0.147 C=C(C)CSCC(=O)NCCC 62a_100000748629_100000183358 [0,1,0,0,0,0|2,0,1]=4 4965 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,1,0,0,0,0|1,0,1]=3 4966 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,1,0,0,0,0|1,0,1]=3 4967 B11R0.147 C=C(CNCC(C)C)OCOC 34a_100000210953_100000042856 [0,1,0,0,0,0|3,0,0]=4 4968 B11R0.147 C=C(CNCC(C)O)OCOC 34a_100000210904_100000042856 [0,1,0,0,0,0|3,0,0]=4 4969 B11R0.147 C=C(COCC(C)Br)OCOC 34a_100012180447_100000042856 [0,1,0,0,0,0|3,0,0]=4 4970 B11R0.147 C=C(COCC(C)C)OCOC 34a_100000210257_100000042856 [0,1,0,0,0,0|3,0,0]=4 4971 B11R0.147 C=C(COCC(C)F)OCOC 34a_100015925927_100000042856 [0,1,0,0,0,0|3,0,0]=4 4972 B11R0.147 C=C(COC[C@@H](C)Cl)OCOC 34a_100016084084_100000042856 [0,1,0,0,0,0|3,0,0]=4 4973 B11R0.147 C=C(COC[C@@H](C)N)OCOC 34a_100000737577_100000042856 [0,1,0,0,0,0|3,0,0]=4 4974 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000042856_100000210760 [0,1,0,0,0,0|3,0,0]=4 4975 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000210624_100000042856 [0,1,0,0,0,0|3,0,0]=4 4976 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100000042856_100011218427 [0,1,0,0,0,0|3,0,0]=4 4977 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100011218427_100000042856 [0,1,0,0,0,0|3,0,0]=4 4978 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100000042856_100009817552 [0,1,0,0,0,0|3,0,0]=4 4979 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100009817552_100000042856 [0,1,0,0,0,0|3,0,0]=4 4980 B11R0.147 C=C(F)COCC(=O)OCCC 34a_200010262243_200011215008 [0,1,0,0,0,0|1,0,2]=4 4981 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_100000042424_200011215008 [0,1,0,0,0,0|1,0,2]=4 4982 B11R0.147 C=C(F)CSCC(=O)OCCC 62a_200011215008_100000042424 [0,1,0,0,0,0|1,0,2]=4 4983 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,1,0,0,0,0|1,0,2]=4 4984 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,1,0,0,0,0|1,0,2]=4 4985 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,1,0,0,0,0|1,0,2]=4 4986 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 4987 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 4988 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,1,0,0,0,0|1,0,2]=4 4989 B11R0.147 C=CCNC(=O)CCCC(C)O 1626a_100020586998_100000761597 [0,1,0,0,0,0|1,0,2]=4 4990 B11R0.147 C=CCNC(=O)CCCC(C)O 527a_100020586998_100000761597 [0,1,0,0,0,0|1,0,2]=4 4991 B11R0.147 C=CCOC(=O)CNCC(C)C 2230a_100000210953_100000033060 [0,1,0,0,0,0|1,0,2]=4 4992 B11R0.147 C=CCOC(=O)CNCC(C)C 34a_100000210953_100000033060 [0,1,0,0,0,0|1,0,2]=4 4993 B11R0.147 C=CCOC(=O)CNCC(C)O 2230a_100000210904_100000033060 [0,1,0,0,0,0|1,0,2]=4 4994 B11R0.147 C=CCOC(=O)CNCC(C)O 34a_100000210904_100000033060 [0,1,0,0,0,0|1,0,2]=4 4995 B11R0.147 C=CCOC(=O)COCC(C)Br 34a_100012180447_100000033060 [0,1,0,0,0,0|1,0,2]=4 4996 B11R0.147 C=CCOC(=O)COCC(C)C 34a_100000210257_100000033060 [0,1,0,0,0,0|1,0,2]=4 4997 B11R0.147 C=CCOC(=O)COCC(C)F 34a_100015925927_100000033060 [0,1,0,0,0,0|1,0,2]=4 4998 B11R0.147 C=CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000033060 [0,1,0,0,0,0|1,0,2]=4 4999 B11R0.147 C=CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000033060 [0,1,0,0,0,0|1,0,2]=4 5000 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000033060_100000210760 [0,1,0,0,0,0|1,0,2]=4 5001 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000210624_100000033060 [0,1,0,0,0,0|1,0,2]=4 5002 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100000033060_100011218427 [0,1,0,0,0,0|1,0,2]=4 5003 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100011218427_100000033060 [0,1,0,0,0,0|1,0,2]=4 5004 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100000033060_100009817552 [0,1,0,0,0,0|1,0,2]=4 5005 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000033060 [0,1,0,0,0,0|1,0,2]=4 5006 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [0,1,0,0,0,0|1,0,2]=4 5007 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,1,0,0,0,0|2,0,1]=4 5008 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,1,0,0,0,0|2,0,1]=4 5009 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,1,0,0,0,0|2,0,1]=4 5010 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,1,0,0,0,0|2,0,0]=3 5011 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,1,0,0,0,0|2,0,0]=3 5012 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 5013 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,1,0,0,0,0|2,0,1]=4 5014 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 5015 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 5016 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 5017 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,1,0,0,0,0|2,0,0]=3 5018 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,1,0,0,0,0|2,0,0]=3 5019 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,1,0,0,0,0|2,0,0]=3 5020 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,1,0,0,0,0|2,0,1]=4 5021 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,1,0,0,0,0|2,0,1]=4 5022 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,1,0,0,0,0|2,0,1]=4 5023 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,1,0,0,0,0|2,0,1]=4 5024 B11R0.147 CC(C)CCNC(=O)NCCF 2708a_100000210545_100000724931 [0,1,0,0,0,0|3,0,0]=4 5025 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000210545_100000724931 [0,1,0,0,0,0|3,0,0]=4 5026 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000724931_100000210545 [0,1,0,0,0,0|3,0,0]=4 5027 B11R0.147 CC(C)CCNC(=O)NCCF 512a_100000210545_100000724931 [0,1,0,0,0,0|3,0,0]=4 5028 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,1,0,0,0,0|3,0,0]=4 5029 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,1,0,0,0,0|3,0,0]=4 5030 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,1,0,0,0,0|3,0,0]=4 5031 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,1,0,0,0,0|3,0,0]=4 5032 B11R0.147 CC(C)CNCC(=O)NCCF 2230a_100000725713_100000210760 [0,1,0,0,0,0|3,0,0]=4 5033 B11R0.147 CC(C)CNCC(=O)NCCF 270004a_100000725713_100000210432 [0,1,0,0,0,0|3,0,0]=4 5034 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [0,1,0,0,0,0|3,0,0]=4 5035 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,1,0,0,0,0|3,0,0]=4 5036 B11R0.147 CC(C)COCC(=O)NCCF 11a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 5037 B11R0.147 CC(C)COCC(=O)NCCF 1626a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 5038 B11R0.147 CC(C)COCC(=O)NCCF 240690a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 5039 B11R0.147 CC(C)COCC(=O)NCCF 527a_100000724931_100011223364 [0,1,0,0,0,0|3,0,0]=4 5040 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,1,0,0,0,0|3,0,0]=4 5041 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,1,0,0,0,0|3,0,0]=4 5042 B11R0.147 CC(O)CCCC(=O)C#CCO 1458a_100000049017_200000718107 [0,1,0,0,0,0|2,0,1]=4 5043 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,1,0,0,0,0|2,0,1]=4 5044 B11R0.147 CC(O)CCCC(=O)NCC#N 1626a_100000734998_100000761597 [0,1,0,0,0,0|2,0,1]=4 5045 B11R0.147 CC(O)CCCC(=O)NCC#N 527a_100000734998_100000761597 [0,1,0,0,0,0|2,0,1]=4 5046 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,1,0,0,0,0|2,0,0]=3 5047 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,1,0,0,0,0|2,0,0]=3 5048 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,1,0,0,0,0|2,0,0]=3 5049 B11R0.147 CC(O)CCNC(=O)NCCF 273464a_200000755665_100000724931 [0,1,0,0,0,0|3,0,0]=4 5050 B11R0.147 CC(O)CCNC(=O)NCCF 512a_200000755665_100000724931 [0,1,0,0,0,0|3,0,0]=4 5051 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,1,0,0,0,0|3,0,0]=4 5052 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,1,0,0,0,0|3,0,0]=4 5053 B11R0.147 CC(O)CNCC(=O)NCCF 2230a_100000725713_100011218427 [0,1,0,0,0,0|3,0,0]=4 5054 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,1,0,0,0,0|1,0,2]=4 5055 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,1,0,0,0,0|1,0,2]=4 5056 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,1,0,0,0,0|1,0,2]=4 5057 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,1,0,0,0,0|1,0,2]=4 5058 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [0,1,0,0,0,0|1,0,1]=3 5059 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,1,0,0,0,0|1,0,1]=3 5060 B11R0.147 CCC#CC(=O)CCCN(C)C 1458a_100011827653_100000695564 [0,1,0,0,0,0|2,0,1]=4 5061 B11R0.147 CCC#CC(=O)CCOC(C)C 1458a_100011827653_100000211751 [0,1,0,0,0,0|2,0,1]=4 5062 B11R0.147 CCC#CC(=O)CCSC(C)C 1458a_100011827653_100000730970 [0,1,0,0,0,0|2,0,1]=4 5063 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,1,0,0,0,0|1,0,2]=4 5064 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,1,0,0,0,0|1,0,1]=3 5065 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,1,0,0,0,0|1,0,1]=3 5066 B11R0.147 CCC=CC(=O)CCCN(C)C 1458a_100000212282_100000695564 [0,1,0,0,0,0|2,0,1]=4 5067 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,1,0,0,0,0|2,0,1]=4 5068 B11R0.147 CCC=CC(=O)CCSC(C)C 1458a_100000212282_100000730970 [0,1,0,0,0,0|2,0,1]=4 5069 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [0,1,0,0,0,0|2,0,1]=4 5070 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [0,1,0,0,0,0|2,0,1]=4 5071 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [0,1,0,0,0,0|2,0,1]=4 5072 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,1,0,0,0,0|2,0,1]=4 5073 B11R0.147 CCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210211 [0,1,0,0,0,0|1,0,2]=4 5074 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|1,0,2]=4 5075 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,1,0,0,0,0|1,0,1]=3 5076 B11R0.147 CCCCC(=O)CCCC(=O)N 1458a_100000210183_100102525003 [0,1,0,0,0,0|2,0,1]=4 5077 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,1,0,0,0,0|1,0,0]=2 5078 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,1,0,0,0,0|1,0,0]=2 5079 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,1,0,0,0,0|1,0,0]=2 5080 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,1,0,0,0,0|2,0,0]=3 5081 B11R0.147 CCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210211 [0,1,0,0,0,0|3,0,0]=4 5082 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210211 [0,1,0,0,0,0|2,0,1]=4 5083 B11R0.147 CCCCC(=O)CCNC(=O)C 1458a_100000210183_100000189650 [0,1,0,0,0,0|2,0,1]=4 5084 B11R0.147 CCCCC(=O)CCOC(=O)C 1458a_100000210183_100009814007 [0,1,0,0,0,0|2,0,1]=4 5085 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,1,0,0,0,0|2,0,0]=3 5086 B11R0.147 CCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210211 [0,1,0,0,0,0|2,0,1]=4 5087 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,1,0,0,0,0|2,0,0]=3 5088 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,1,0,0,0,0|2,0,0]=3 5089 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,1,0,0,0,0|2,0,0]=3 5090 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,1,0,0,0,0|2,0,0]=3 5091 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,1,0,0,0,0|2,0,0]=3 5092 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,1,0,0,0,0|2,0,0]=3 5093 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,1,0,0,0,0|2,0,0]=3 5094 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,1,0,0,0,0|2,0,0]=3 5095 B11R0.147 CCCCC(=O)NCCN(C)C 240690a_100000210585_100000210183 [0,1,0,0,0,0|3,0,0]=4 5096 B11R0.147 CCCCC(=O)NCCN(C)C 527a_100000210585_100000210183 [0,1,0,0,0,0|3,0,0]=4 5097 B11R0.147 CCCCC(=O)NNCC(C)C 22a_100000696102_100000210183 [0,1,0,0,0,0|3,0,0]=4 5098 B11R0.147 CCCCC(=O)NNCC(C)O 22a_200000730056_100000210183 [0,1,0,0,0,0|3,0,0]=4 5099 B11R0.147 CCCCN(C)CCCC(C)C 2230a_100000207549_100011214892 [0,1,0,0,0,0|3,0,0]=4 5100 B11R0.147 CCCCN(C)CCCC(C)C 269982a_100000207549_100011214892 [0,1,0,0,0,0|3,0,0]=4 5101 B11R0.147 CCCCN(C)CCCC(C)O 2230a_100000207549_200000718107 [0,1,0,0,0,0|3,0,0]=4 5102 B11R0.147 CCCCN(C)CCCC(C)O 269982a_100000207549_200000718107 [0,1,0,0,0,0|3,0,0]=4 5103 B11R0.147 CCCNC(=O)C/C=C/C(C)C 11a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 5104 B11R0.147 CCCNC(=O)C/C=C/C(C)C 1626a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 5105 B11R0.147 CCCNC(=O)C/C=C/C(C)C 240690a_100020643023_100016292215 [0,1,0,0,0,0|1,0,2]=4 5106 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,1,0,0,0,0|1,0,1]=3 5107 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,1,0,0,0,0|1,0,1]=3 5108 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,1,0,0,0,0|1,0,1]=3 5109 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 5110 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 5111 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 5112 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,1,0,0,0,0|1,0,0]=2 5113 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,1,0,0,0,0|1,0,0]=2 5114 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,1,0,0,0,0|1,0,0]=2 5115 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,1,0,0,0,0|2,0,0]=3 5116 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,1,0,0,0,0|2,0,0]=3 5117 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,1,0,0,0,0|2,0,0]=3 5118 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,1,0,0,0,0|2,0,0]=3 5119 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 11a_100020643023_100016109205 [0,1,0,0,0,0|3,0,0]=4 5120 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 1626a_100020643023_100016109205 [0,1,0,0,0,0|3,0,0]=4 5121 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 240690a_100020643023_100016109205 [0,1,0,0,0,0|3,0,0]=4 5122 B11R0.147 CCCNC(=O)CCC[N+](=O)[O-] 527a_100020643023_100016109205 [0,1,0,0,0,0|3,0,0]=4 5123 B11R0.147 CCCNC(=O)CCNC(=O)C 11a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 5124 B11R0.147 CCCNC(=O)CCNC(=O)C 1626a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 5125 B11R0.147 CCCNC(=O)CCNC(=O)C 240690a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 5126 B11R0.147 CCCNC(=O)CCNC(=O)C 527a_100020643023_100000183196 [0,1,0,0,0,0|2,0,1]=4 5127 B11R0.147 CCCNC(=O)CCSC(=O)C 1626a_100020643023_100000048949 [0,1,0,0,0,0|2,0,1]=4 5128 B11R0.147 CCCNC(=O)CCSC(=O)C 240690a_100020643023_100000048949 [0,1,0,0,0,0|2,0,1]=4 5129 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [0,1,0,0,0,0|2,0,0]=3 5130 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [0,1,0,0,0,0|2,0,0]=3 5131 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [0,1,0,0,0,0|2,0,0]=3 5132 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [0,1,0,0,0,0|2,0,0]=3 5133 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,1,0,0,0,0|2,0,0]=3 5134 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,1,0,0,0,0|2,0,0]=3 5135 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,1,0,0,0,0|2,0,0]=3 5136 B11R0.147 CCCNC(=O)CNCC(F)F 2230a_100000174927_100011934356 [0,1,0,0,0,0|3,0,0]=4 5137 B11R0.147 CCCNC(=O)CNCC(F)F 34a_100000765723_100000183358 [0,1,0,0,0,0|3,0,0]=4 5138 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,1,0,0,0,0|2,0,0]=3 5139 B11R0.147 CCCNC(=O)COCC(=O)C 34a_100000211253_100000183358 [0,1,0,0,0,0|2,0,1]=4 5140 B11R0.147 CCCNC(=O)COCC(C)Br 34a_100012180447_100000183358 [0,1,0,0,0,0|2,0,0]=3 5141 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 5142 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 5143 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 5144 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [0,1,0,0,0,0|2,0,0]=3 5145 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [0,1,0,0,0,0|2,0,0]=3 5146 B11R0.147 CCCNC(=O)COCC(C)F 34a_100015925927_100000183358 [0,1,0,0,0,0|2,0,0]=3 5147 B11R0.147 CCCNC(=O)COCC(F)F 34a_100000743014_100000183358 [0,1,0,0,0,0|3,0,0]=4 5148 B11R0.147 CCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183358 [0,1,0,0,0,0|2,0,0]=3 5149 B11R0.147 CCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183358 [0,1,0,0,0,0|2,0,0]=3 5150 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [0,1,0,0,0,0|2,0,0]=3 5151 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [0,1,0,0,0,0|2,0,0]=3 5152 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,1,0,0,0,0|2,0,0]=3 5153 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,1,0,0,0,0|2,0,0]=3 5154 B11R0.147 CCCNC(=O)CSCC(F)F 62a_100000183358_100011934356 [0,1,0,0,0,0|3,0,0]=4 5155 B11R0.147 CCCNC(=O)CSCC(F)F 62a_100011934356_100000183358 [0,1,0,0,0,0|3,0,0]=4 5156 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,1,0,0,0,0|2,0,0]=3 5157 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,1,0,0,0,0|2,0,0]=3 5158 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [0,1,0,0,0,0|2,0,0]=3 5159 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [0,1,0,0,0,0|2,0,0]=3 5160 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [0,1,0,0,0,0|2,0,0]=3 5161 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [0,1,0,0,0,0|2,0,0]=3 5162 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [0,1,0,0,0,0|2,0,0]=3 5163 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [0,1,0,0,0,0|2,0,0]=3 5164 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,1,0,0,0,0|2,0,0]=3 5165 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,1,0,0,0,0|2,0,0]=3 5166 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,1,0,0,0,0|2,0,0]=3 5167 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,1,0,0,0,0|2,0,0]=3 5168 B11R0.147 CCCNC(=O)NCCN(C)C 2708a_100020643023_100000210585 [0,1,0,0,0,0|3,0,0]=4 5169 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100000210585_100020643023 [0,1,0,0,0,0|3,0,0]=4 5170 B11R0.147 CCCNC(=O)NCCN(C)C 273464a_100020643023_100000210585 [0,1,0,0,0,0|3,0,0]=4 5171 B11R0.147 CCCNC(=O)NCCN(C)C 512a_100020643023_100000210585 [0,1,0,0,0,0|3,0,0]=4 5172 B11R0.147 CCCNC(=O)NNCC(C)C 273464a_100020643023_100000696102 [0,1,0,0,0,0|3,0,0]=4 5173 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100000696102_100020643023 [0,1,0,0,0,0|3,0,0]=4 5174 B11R0.147 CCCNC(=O)NNCC(C)C 512a_100020643023_100000696102 [0,1,0,0,0,0|3,0,0]=4 5175 B11R0.147 CCCNC(=O)NNCC(C)O 512a_100020643023_200000730056 [0,1,0,0,0,0|3,0,0]=4 5176 B11R0.147 CCCNC(=O)NNCC(C)O 512a_200000730056_100020643023 [0,1,0,0,0,0|3,0,0]=4 5177 B11R0.147 CCCNC(C)CCCC(C)C 2230a_100000210607_100000210303 [0,1,0,0,0,0|2,0,1]=4 5178 B11R0.147 CCCNC(C)CCCC(C)C 270004a_100020643023_100000753411 [0,1,0,0,0,0|2,0,1]=4 5179 B11R0.147 CCCOC(=O)CNCC(=O)N 2230a_100000711301_200011215008 [0,1,0,0,0,0|2,0,1]=4 5180 B11R0.147 CCCOC(=O)CNCC(=O)O 269956a_100016091260_200011215008 [0,1,0,0,0,0|2,0,1]=4 5181 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,1,0,0,0,0|1,0,0]=2 5182 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,1,0,0,0,0|1,0,0]=2 5183 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,1,0,0,0,0|1,0,0]=2 5184 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,1,0,0,0,0|1,0,0]=2 5185 B11R0.147 CCCOC(=O)CNCC(F)F 34a_100000765723_200011215008 [0,1,0,0,0,0|2,0,0]=3 5186 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,1,0,0,0,0|1,0,1]=3 5187 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,1,0,0,0,0|1,0,0]=2 5188 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,1,0,0,0,0|1,0,0]=2 5189 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,1,0,0,0,0|1,0,0]=2 5190 B11R0.147 CCCOC(=O)COCC(F)F 34a_100000743014_200011215008 [0,1,0,0,0,0|2,0,0]=3 5191 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,1,0,0,0,0|1,0,0]=2 5192 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,1,0,0,0,0|1,0,0]=2 5193 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_100000747473_200011215008 [0,1,0,0,0,0|2,0,1]=4 5194 B11R0.147 CCCOC(=O)CSCC(=O)N 62a_200011215008_100000747473 [0,1,0,0,0,0|2,0,1]=4 5195 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_100020667443_200011215008 [0,1,0,0,0,0|2,0,1]=4 5196 B11R0.147 CCCOC(=O)CSCC(=O)[O-] 62a_200011215008_100020667443 [0,1,0,0,0,0|2,0,1]=4 5197 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,1,0,0,0,0|1,0,0]=2 5198 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,1,0,0,0,0|1,0,0]=2 5199 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,1,0,0,0,0|1,0,0]=2 5200 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,1,0,0,0,0|1,0,0]=2 5201 B11R0.147 CCCOC(=O)CSCC(F)F 62a_100011934356_200011215008 [0,1,0,0,0,0|2,0,0]=3 5202 B11R0.147 CCCOC(=O)CSCC(F)F 62a_200011215008_100011934356 [0,1,0,0,0,0|2,0,0]=3 5203 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,1,0,0,0,0|1,0,0]=2 5204 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,1,0,0,0,0|1,0,0]=2 5205 B11R0.147 CCCOC(=O)CSC[N+](=O)[O-] 62a_200011215008_100000761209 [0,1,0,0,0,0|3,0,0]=4 5206 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [0,1,0,0,0,0|2,0,0]=3 5207 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [0,1,0,0,0,0|2,0,0]=3 5208 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [0,1,0,0,0,0|2,0,0]=3 5209 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,1,0,0,0,0|1,0,1]=3 5210 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,1,0,0,0,0|1,0,1]=3 5211 B11R0.147 CCCOC(C)CNCC(C)C 2230a_100015185124_100000210760 [0,1,0,0,0,0|2,0,1]=4 5212 B11R0.147 CCCOC(C)CNCC(C)C 270004a_100015185124_100000210432 [0,1,0,0,0,0|2,0,1]=4 5213 B11R0.147 CCCOC(C)CNCC(C)C 34a_100015185124_100000210624 [0,1,0,0,0,0|2,0,1]=4 5214 B11R0.147 CCCOC(C)CNCC(C)O 2230a_100015185124_100011218427 [0,1,0,0,0,0|2,0,1]=4 5215 B11R0.147 CCCOC(C)CNCC(C)O 34a_100015185124_100011218427 [0,1,0,0,0,0|2,0,1]=4 5216 B11R0.147 CCCOC(C)CNC[C@@H](C)O 2230a_100015185124_100009817552 [0,1,0,0,0,0|2,0,1]=4 5217 B11R0.147 CCCOC(C)CNC[C@@H](C)O 34a_100015185124_100009817552 [0,1,0,0,0,0|2,0,1]=4 5218 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,1,0,0,0,0|3,0,0]=4 5219 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [0,1,0,0,0,0|2,0,0]=3 5220 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,1,0,0,0,0|2,0,0]=3 5221 B11R0.147 CCNNC(=O)CCCN(C)C 22a_100000756455_100000740757 [0,1,0,0,0,0|3,0,0]=4 5222 B11R0.147 CCNNC(=O)COCC(C)C 22a_100000756455_100011223364 [0,1,0,0,0,0|3,0,0]=4 5223 B11R0.147 CCNNC(=O)NCCC(C)C 273464a_100000210545_100000756455 [0,1,0,0,0,0|3,0,0]=4 5224 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000210545_100000756455 [0,1,0,0,0,0|3,0,0]=4 5225 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000756455_100000210545 [0,1,0,0,0,0|3,0,0]=4 5226 B11R0.147 CCNNC(=O)NCCC(C)O 273464a_200000755665_100000756455 [0,1,0,0,0,0|3,0,0]=4 5227 B11R0.147 CCNNC(=O)NCCC(C)O 512a_100000756455_200000755665 [0,1,0,0,0,0|3,0,0]=4 5228 B11R0.147 CCNNC(=O)NCCC(C)O 512a_200000755665_100000756455 [0,1,0,0,0,0|3,0,0]=4 5229 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,1,0,0,0,0|2,0,1]=4 5230 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,1,0,0,0,0|2,0,0]=3 5231 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,1,0,0,0,0|2,0,0]=3 5232 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,1,0,0,0,0|3,0,0]=4 5233 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,1,0,0,0,0|3,0,0]=4 5234 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,1,0,0,0,0|3,0,0]=4 5235 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,1,0,0,0,0|3,0,0]=4 5236 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,1,0,0,0,0|3,0,0]=4 5237 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,1,0,0,0,0|3,0,0]=4 5238 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,1,0,0,0,0|3,0,0]=4 5239 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,1,0,0,0,0|3,0,0]=4 5240 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,1,0,0,0,0|3,0,0]=4 5241 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,1,0,0,0,0|2,0,1]=4 5242 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,1,0,0,0,0|2,0,0]=3 5243 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,1,0,0,0,0|2,0,0]=3 5244 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,1,0,0,0,0|3,0,0]=4 5245 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [0,1,0,0,0,0|3,0,0]=4 5246 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [0,1,0,0,0,0|3,0,0]=4 5247 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [0,1,0,0,0,0|3,0,0]=4 5248 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [0,1,0,0,0,0|3,0,0]=4 5249 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [0,1,0,0,0,0|3,0,0]=4 5250 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [0,1,0,0,0,0|3,0,0]=4 5251 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,1,0,0,0,0|3,0,0]=4 5252 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,1,0,0,0,0|3,0,0]=4 5253 B11R0.147 CN(C)CCCC(=O)NCCF 11a_100000724931_100000740757 [0,1,0,0,0,0|3,0,0]=4 5254 B11R0.147 CN(C)CCCC(=O)NCCF 240690a_100000724931_100000740757 [0,1,0,0,0,0|3,0,0]=4 5255 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,1,0,0,0,0|3,0,0]=4 5256 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [0,1,0,0,0,0|2,0,1]=4 5257 B11R0.147 COC=CC(=O)CCCC(C)O 1458a_100016268678_200000718107 [0,1,0,0,0,0|2,0,1]=4 5258 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,1,0,0,0,0|2,0,1]=4 5259 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,1,0,0,0,0|2,0,0]=3 5260 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,1,0,0,0,0|2,0,0]=3 5261 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,1,0,0,0,0|2,0,0]=3 5262 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,1,0,0,0,0|3,0,0]=4 5263 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,1,0,0,0,0|3,0,0]=4 5264 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,1,0,0,0,0|3,0,0]=4 5265 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,1,0,0,0,0|3,0,0]=4 5266 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,1,0,0,0,0|3,0,0]=4 5267 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,1,0,0,0,0|3,0,0]=4 5268 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,1,0,0,0,0|3,0,0]=4 5269 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,1,0,0,0,0|3,0,0]=4 5270 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,1,0,0,0,0|3,0,0]=4 5271 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,1,0,0,0,0|3,0,0]=4 5272 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,1,0,0,0,0|2,0,1]=4 5273 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,1,0,0,0,0|2,0,0]=3 5274 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,1,0,0,0,0|2,0,0]=3 5275 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,1,0,0,0,0|2,0,0]=3 5276 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,1,0,0,0,0|3,0,0]=4 5277 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [0,1,0,0,0,0|3,0,0]=4 5278 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [0,1,0,0,0,0|3,0,0]=4 5279 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [0,1,0,0,0,0|3,0,0]=4 5280 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [0,1,0,0,0,0|3,0,0]=4 5281 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [0,1,0,0,0,0|3,0,0]=4 5282 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [0,1,0,0,0,0|3,0,0]=4 5283 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [0,1,0,0,0,0|3,0,0]=4 5284 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,1,0,0,0,0|3,0,0]=4 5285 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,1,0,0,0,0|3,0,0]=4 5286 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [0,1,0,0,0,0|2,0,1]=4 5287 B11R0.147 C[C@@H](O)CNCC(=O)NCCF 2230a_100000725713_100009817552 [0,1,0,0,0,0|3,0,0]=4 5288 B11R0.152 C#CC(CCCCC)OCCC 34a_100011216489_100000210303 [0,1,0,0,0,0|1,0,1]=3 5289 B11R0.152 C#CC(CCCCC)OCCC 7a_100011216489_100000210303 [0,1,0,0,0,0|1,0,1]=3 5290 B11R0.152 C#CC(CCCCC)OCCF 34a_100011216489_100011217306 [0,1,0,0,0,0|2,0,1]=4 5291 B11R0.152 C#CC(CCCCC)OCCF 7a_100011216489_100011217306 [0,1,0,0,0,0|2,0,1]=4 5292 B11R0.152 C#CC(CCCCC)OCCO 34a_100011216489_100000211926 [0,1,0,0,0,0|2,0,1]=4 5293 B11R0.152 C#CC(CCCCC)OCCO 7a_100011216489_100000211926 [0,1,0,0,0,0|2,0,1]=4 5294 B11R0.152 C#CC(CCCCC)OCSC 34a_100011216489_100011218213 [0,1,0,0,0,0|2,0,1]=4 5295 B11R0.152 C=CC(=NNCC)CCCCC 4a_100000756455_100011217817 [0,1,0,0,0,0|3,0,0]=4 5296 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [0,1,0,0,0,0|1,0,1]=3 5297 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [0,1,0,0,0,0|1,0,1]=3 5298 B11R0.152 C=CC(CCCCC)OCCF 34a_100011216863_100011217306 [0,1,0,0,0,0|2,0,1]=4 5299 B11R0.152 C=CC(CCCCC)OCCF 7a_100011216863_100011217306 [0,1,0,0,0,0|2,0,1]=4 5300 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [0,1,0,0,0,0|2,0,1]=4 5301 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [0,1,0,0,0,0|2,0,1]=4 5302 B11R0.152 C=CC(CCCCC)OCSC 34a_100011216863_100011218213 [0,1,0,0,0,0|2,0,1]=4 5303 B11R0.152 CCC/C=C(\CC)/CNCCC 269862a_100020643023_100020616858 [0,1,0,0,0,0|3,0,0]=4 5304 B11R0.152 CCC/C=C(\CC)/COCCC 34a_200015372368_100000210303 [0,1,0,0,0,0|3,0,0]=4 5305 B11R0.152 CCC/C=C(\CC)/COCCC 7a_200015372368_100000210303 [0,1,0,0,0,0|3,0,0]=4 5306 B11R0.152 CCCCCC(=NNCC)CC 4a_100000756455_100011215316 [0,1,0,0,0,0|3,0,0]=4 5307 B11R0.152 CCCCCC(CC)NCCC 270004a_100020643023_100011215316 [0,1,0,0,0,0|2,0,1]=4 5308 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [0,1,0,0,0,0|1,0,1]=3 5309 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [0,1,0,0,0,0|1,0,1]=3 5310 B11R0.152 CCCCCC(CC)OCCF 34a_100011215405_100011217306 [0,1,0,0,0,0|2,0,1]=4 5311 B11R0.152 CCCCCC(CC)OCCF 7a_100011215405_100011217306 [0,1,0,0,0,0|2,0,1]=4 5312 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [0,1,0,0,0,0|2,0,1]=4 5313 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [0,1,0,0,0,0|2,0,1]=4 5314 B11R0.152 CCCCCC(CC)OCSC 34a_100011215405_100011218213 [0,1,0,0,0,0|2,0,1]=4 5315 B11R0.152 CCCCCC(CCCC)NC 270004a_106832991635_200011218572 [0,1,0,0,0,0|2,0,1]=4 5316 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [0,1,0,0,0,0|3,0,0]=4 5317 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [0,1,0,0,0,0|3,0,0]=4 5318 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 5319 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 5320 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 5321 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [0,1,0,0,0,0|1,0,2]=4 5322 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000690238_100000748023 [0,1,0,0,0,0|1,0,2]=4 5323 B11R0.154 C#CCCCC(=O)CC(C)CC 1458a_100000708755_100000731252 [0,1,0,0,0,0|1,0,2]=4 5324 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100000690238_100011218378 [0,1,0,0,0,0|1,0,2]=4 5325 B11R0.154 C#CCCCC(=O)CC(O)CC 1458a_100011667805_100000731252 [0,1,0,0,0,0|1,0,2]=4 5326 B11R0.154 C#CCCCC(=O)C[C@@H](C)CC 1458a_100000690238_100009816398 [0,1,0,0,0,0|1,0,2]=4 5327 B11R0.154 C#CCCCC(=O)NC(C)CC 11a_100000209981_100000690238 [0,1,0,0,0,0|1,0,2]=4 5328 B11R0.154 C#CCCCC(=O)NC(C)CC 1626a_100000209981_100000690238 [0,1,0,0,0,0|1,0,2]=4 5329 B11R0.154 C#CCCCC(=O)NC(C)CC 240690a_100000209981_100000690238 [0,1,0,0,0,0|1,0,2]=4 5330 B11R0.154 C#CCCCC(=O)NC(C)CC 527a_100000209981_100000690238 [0,1,0,0,0,0|1,0,2]=4 5331 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,1,0,0,0,0|1,0,2]=4 5332 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000708755_100000757094 [0,1,0,0,0,0|1,0,2]=4 5333 B11R0.154 C=CCCCC(=O)CC(C)CC 1458a_100000766728_100000748023 [0,1,0,0,0,0|1,0,2]=4 5334 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100000766728_100011218378 [0,1,0,0,0,0|1,0,2]=4 5335 B11R0.154 C=CCCCC(=O)CC(O)CC 1458a_100011667805_100000757094 [0,1,0,0,0,0|1,0,2]=4 5336 B11R0.154 C=CCCCC(=O)C[C@@H](C)CC 1458a_100000766728_100009816398 [0,1,0,0,0,0|1,0,2]=4 5337 B11R0.154 C=CCCCC(=O)NC(C)CC 11a_100000209981_100000766728 [0,1,0,0,0,0|1,0,2]=4 5338 B11R0.154 C=CCCCC(=O)NC(C)CC 1626a_100000209981_100000766728 [0,1,0,0,0,0|1,0,2]=4 5339 B11R0.154 C=CCCCC(=O)NC(C)CC 240690a_100000209981_100000766728 [0,1,0,0,0,0|1,0,2]=4 5340 B11R0.154 C=CCCCC(=O)NC(C)CC 527a_100000209981_100000766728 [0,1,0,0,0,0|1,0,2]=4 5341 B11R0.154 CC/C=C/CC(=O)CC(C)CC 1458a_100016274230_100000748023 [0,1,0,0,0,0|1,0,2]=4 5342 B11R0.154 CC/C=C/CC(=O)CC(O)CC 1458a_100016274230_100011218378 [0,1,0,0,0,0|1,0,2]=4 5343 B11R0.154 CC/C=C/CC(=O)C[C@@H](C)CC 1458a_100016274230_100009816398 [0,1,0,0,0,0|1,0,2]=4 5344 B11R0.154 CC/C=C/CC(=O)NC(C)CC 11a_100000209981_100016274230 [0,1,0,0,0,0|1,0,2]=4 5345 B11R0.154 CC/C=C/CC(=O)NC(C)CC 1626a_100000209981_100016274230 [0,1,0,0,0,0|1,0,2]=4 5346 B11R0.154 CC/C=C/CC(=O)NC(C)CC 240690a_100000209981_100016274230 [0,1,0,0,0,0|1,0,2]=4 5347 B11R0.154 CC/C=C/CC(=O)NC(C)CC 527a_100000209981_100016274230 [0,1,0,0,0,0|1,0,2]=4 5348 B11R0.154 CC/C=C\CC(=O)CC(C)CC 1458a_100000708755_100103147603 [0,1,0,0,0,0|1,0,2]=4 5349 B11R0.154 CC/C=C\CC(=O)CC(O)CC 1458a_100011667805_100103147603 [0,1,0,0,0,0|1,0,2]=4 5350 B11R0.154 CCC#CCC(=O)CC(C)CC 1458a_100000708755_100009813939 [0,1,0,0,0,0|1,0,2]=4 5351 B11R0.154 CCC#CCC(=O)CC(O)CC 1458a_100011667805_100009813939 [0,1,0,0,0,0|1,0,2]=4 5352 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [0,1,0,0,0,0|2,0,1]=4 5353 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [0,1,0,0,0,0|2,0,1]=4 5354 B11R0.154 CCC(=CC(=O)CCCOC)C 1458a_100020758463_100000740836 [0,1,0,0,0,0|2,0,1]=4 5355 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,1,0,0,0,0|2,0,1]=4 5356 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,1,0,0,0,0|2,0,1]=4 5357 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,1,0,0,0,0|2,0,1]=4 5358 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000075515_100000748023 [0,1,0,0,0,0|2,0,1]=4 5359 B11R0.154 CCC(C)CC(=O)CCCC#N 1458a_100000708755_100000211468 [0,1,0,0,0,0|2,0,1]=4 5360 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,1,0,0,0,0|2,0,0]=3 5361 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,1,0,0,0,0|2,0,0]=3 5362 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,1,0,0,0,0|2,0,0]=3 5363 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,1,0,0,0,0|2,0,0]=3 5364 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,1,0,0,0,0|2,0,0]=3 5365 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,1,0,0,0,0|2,0,0]=3 5366 B11R0.154 CCC(C)CC(=O)COCCO 1458a_100000708028_100000748023 [0,1,0,0,0,0|3,0,0]=4 5367 B11R0.154 CCC(C)CC(=O)NCCCF 11a_100015189416_100000708755 [0,1,0,0,0,0|3,0,0]=4 5368 B11R0.154 CCC(C)CC(=O)NCCCF 1626a_100015189416_100000708755 [0,1,0,0,0,0|3,0,0]=4 5369 B11R0.154 CCC(C)CC(=O)NCCCF 240690a_100015189416_100000708755 [0,1,0,0,0,0|3,0,0]=4 5370 B11R0.154 CCC(C)CC(=O)NCCCF 527a_100015189416_100000708755 [0,1,0,0,0,0|3,0,0]=4 5371 B11R0.154 CCC(C)CC(=O)NCCCO 240690a_100000182051_100000708755 [0,1,0,0,0,0|3,0,0]=4 5372 B11R0.154 CCC(C)CC(=O)NCCCO 527a_100000182051_100000708755 [0,1,0,0,0,0|3,0,0]=4 5373 B11R0.154 CCC(C)CC(=O)NCCOC 1626a_100000209980_100000708755 [0,1,0,0,0,0|3,0,0]=4 5374 B11R0.154 CCC(C)CC(=O)NCCOC 240690a_100000209980_100000708755 [0,1,0,0,0,0|3,0,0]=4 5375 B11R0.154 CCC(C)CC(=O)NCCOC 527a_100000209980_100000708755 [0,1,0,0,0,0|3,0,0]=4 5376 B11R0.154 CCC(C)CC(=O)NCCSC 11a_100020590264_100000708755 [0,1,0,0,0,0|3,0,0]=4 5377 B11R0.154 CCC(C)CC(=O)NCCSC 1626a_100020590264_100000708755 [0,1,0,0,0,0|3,0,0]=4 5378 B11R0.154 CCC(C)CC(=O)NCCSC 240690a_100020590264_100000708755 [0,1,0,0,0,0|3,0,0]=4 5379 B11R0.154 CCC(C)CC(=O)NCCSC 527a_100020590264_100000708755 [0,1,0,0,0,0|3,0,0]=4 5380 B11R0.154 CCC(C)NC(=O)CCCC#N 11a_100000209981_100000075515 [0,1,0,0,0,0|2,0,1]=4 5381 B11R0.154 CCC(C)NC(=O)CCCC#N 1626a_100000209981_100000075515 [0,1,0,0,0,0|2,0,1]=4 5382 B11R0.154 CCC(C)NC(=O)CCCC#N 240690a_100000209981_100000075515 [0,1,0,0,0,0|2,0,1]=4 5383 B11R0.154 CCC(C)NC(=O)CCCC#N 527a_100000209981_100000075515 [0,1,0,0,0,0|2,0,1]=4 5384 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [0,1,0,0,0,0|2,0,0]=3 5385 B11R0.154 CCC(C)NC(=O)CCCOC 11a_100000209981_100000741012 [0,1,0,0,0,0|2,0,0]=3 5386 B11R0.154 CCC(C)NC(=O)CCCOC 1626a_100000209981_100000741012 [0,1,0,0,0,0|2,0,0]=3 5387 B11R0.154 CCC(C)NC(=O)CCCOC 240690a_100000209981_100000741012 [0,1,0,0,0,0|2,0,0]=3 5388 B11R0.154 CCC(C)NC(=O)CCCOC 527a_100000209981_100000741012 [0,1,0,0,0,0|2,0,0]=3 5389 B11R0.154 CCC(C)NC(=O)CCCSC 11a_100000209981_100000173376 [0,1,0,0,0,0|2,0,0]=3 5390 B11R0.154 CCC(C)NC(=O)CCCSC 1626a_100000209981_100000173376 [0,1,0,0,0,0|2,0,0]=3 5391 B11R0.154 CCC(C)NC(=O)CCCSC 240690a_100000209981_100000173376 [0,1,0,0,0,0|2,0,0]=3 5392 B11R0.154 CCC(C)NC(=O)CCCSC 527a_100000209981_100000173376 [0,1,0,0,0,0|2,0,0]=3 5393 B11R0.154 CCC(C)NC(=O)CNCCF 34a_100000724931_100000182745 [0,1,0,0,0,0|3,0,0]=4 5394 B11R0.154 CCC(C)NC(=O)CNCCO 2230a_100016997473_100000182745 [0,1,0,0,0,0|3,0,0]=4 5395 B11R0.154 CCC(C)NC(=O)CNCCO 34a_100016990907_100000182745 [0,1,0,0,0,0|3,0,0]=4 5396 B11R0.154 CCC(C)NC(=O)COCCBr 34a_100000211926_100000182745 [0,1,0,0,0,0|3,0,0]=4 5397 B11R0.154 CCC(C)NC(=O)COCCN 34a_100000210304_100000182745 [0,1,0,0,0,0|3,0,0]=4 5398 B11R0.154 CCC(C)NC(=O)COCCO 1626a_100000209981_100000708028 [0,1,0,0,0,0|3,0,0]=4 5399 B11R0.154 CCC(C)NC(=O)COCCO 240690a_100000209981_100000708028 [0,1,0,0,0,0|3,0,0]=4 5400 B11R0.154 CCC(C)NC(=O)CSCCF 62a_100000182745_100011217306 [0,1,0,0,0,0|3,0,0]=4 5401 B11R0.154 CCC(C)NC(=O)CSCCF 62a_100011217306_100000182745 [0,1,0,0,0,0|3,0,0]=4 5402 B11R0.154 CCC(C)NC(=O)CSCCO 62a_100000182745_100000211926 [0,1,0,0,0,0|3,0,0]=4 5403 B11R0.154 CCC(C)NC(=O)CSCCO 62a_100000211926_100000182745 [0,1,0,0,0,0|3,0,0]=4 5404 B11R0.154 CCC(C)NC(=O)CSCOC 62a_100000182745_100000766300 [0,1,0,0,0,0|3,0,0]=4 5405 B11R0.154 CCC(C)NC(=O)CSCOC 62a_100000766300_100000182745 [0,1,0,0,0,0|3,0,0]=4 5406 B11R0.154 CCC(C)NC(=O)CSCSC 62a_100000182745_100011218213 [0,1,0,0,0,0|3,0,0]=4 5407 B11R0.154 CCC(C)NC(=O)CSCSC 62a_100011218213_100000182745 [0,1,0,0,0,0|3,0,0]=4 5408 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 5409 B11R0.154 CCC(C)NC(=O)NCCCF 2708a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 5410 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 5411 B11R0.154 CCC(C)NC(=O)NCCCF 273464a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 5412 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100000209981_100015189416 [0,1,0,0,0,0|3,0,0]=4 5413 B11R0.154 CCC(C)NC(=O)NCCCF 512a_100015189416_100000209981 [0,1,0,0,0,0|3,0,0]=4 5414 B11R0.154 CCC(C)NC(=O)NCCCO 2708a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 5415 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000182051_100000209981 [0,1,0,0,0,0|3,0,0]=4 5416 B11R0.154 CCC(C)NC(=O)NCCCO 273464a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 5417 B11R0.154 CCC(C)NC(=O)NCCCO 512a_100000209981_100000182051 [0,1,0,0,0,0|3,0,0]=4 5418 B11R0.154 CCC(C)NC(=O)NCCOC 2708a_100000209981_100000209980 [0,1,0,0,0,0|3,0,0]=4 5419 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209980_100000209981 [0,1,0,0,0,0|3,0,0]=4 5420 B11R0.154 CCC(C)NC(=O)NCCOC 273464a_100000209981_100000209980 [0,1,0,0,0,0|3,0,0]=4 5421 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 5422 B11R0.154 CCC(C)NC(=O)NCCSC 2708a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 5423 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 5424 B11R0.154 CCC(C)NC(=O)NCCSC 273464a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 5425 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100000209981_100020590264 [0,1,0,0,0,0|3,0,0]=4 5426 B11R0.154 CCC(C)NC(=O)NCCSC 512a_100020590264_100000209981 [0,1,0,0,0,0|3,0,0]=4 5427 B11R0.154 CCC(C)OC(C)CCCOC 34a_200011539412_100011215416 [0,1,0,0,0,0|2,0,1]=4 5428 B11R0.154 CCC(C)OC(C)CCCOC 7a_200011539412_100000758301 [0,1,0,0,0,0|2,0,1]=4 5429 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100000075515_100011218378 [0,1,0,0,0,0|2,0,1]=4 5430 B11R0.154 CCC(O)CC(=O)CCCC#N 1458a_100011667805_100000211468 [0,1,0,0,0,0|2,0,1]=4 5431 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,1,0,0,0,0|2,0,0]=3 5432 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,1,0,0,0,0|2,0,0]=3 5433 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,1,0,0,0,0|2,0,0]=3 5434 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,1,0,0,0,0|2,0,0]=3 5435 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,1,0,0,0,0|2,0,0]=3 5436 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,1,0,0,0,0|2,0,0]=3 5437 B11R0.154 CCC(O)CC(=O)COCCO 1458a_100000708028_100011218378 [0,1,0,0,0,0|3,0,0]=4 5438 B11R0.154 CCC(O)CC(=O)NCCCF 1626a_100015189416_100011667805 [0,1,0,0,0,0|3,0,0]=4 5439 B11R0.154 CCC(O)CC(=O)NCCCF 240690a_100015189416_100011667805 [0,1,0,0,0,0|3,0,0]=4 5440 B11R0.154 CCC(O)CC(=O)NCCCO 240690a_100000182051_100011667805 [0,1,0,0,0,0|3,0,0]=4 5441 B11R0.154 CCC(O)CC(=O)NCCOC 1626a_100000209980_100011667805 [0,1,0,0,0,0|3,0,0]=4 5442 B11R0.154 CCC(O)CC(=O)NCCOC 240690a_100000209980_100011667805 [0,1,0,0,0,0|3,0,0]=4 5443 B11R0.154 CCC(O)CC(=O)NCCSC 1626a_100020590264_100011667805 [0,1,0,0,0,0|3,0,0]=4 5444 B11R0.154 CCC(O)CC(=O)NCCSC 240690a_100020590264_100011667805 [0,1,0,0,0,0|3,0,0]=4 5445 B11R0.154 CCCC#CC(=O)CC(C)CC 1458a_200011218047_100000748023 [0,1,0,0,0,0|1,0,2]=4 5446 B11R0.154 CCCC#CC(=O)CC(O)CC 1458a_200011218047_100011218378 [0,1,0,0,0,0|1,0,2]=4 5447 B11R0.154 CCCC#CC(=O)C[C@@H](C)CC 1458a_200011218047_100009816398 [0,1,0,0,0,0|1,0,2]=4 5448 B11R0.154 CCCC#CC(=O)NC(C)CC 240690a_100000209981_200011218047 [0,1,0,0,0,0|1,0,2]=4 5449 B11R0.154 CCCC=CC(=O)CC(C)CC 1458a_100000212230_100000748023 [0,1,0,0,0,0|1,0,2]=4 5450 B11R0.154 CCCC=CC(=O)CC(O)CC 1458a_100000212230_100011218378 [0,1,0,0,0,0|1,0,2]=4 5451 B11R0.154 CCCC=CC(=O)C[C@@H](C)CC 1458a_100000212230_100009816398 [0,1,0,0,0,0|1,0,2]=4 5452 B11R0.154 CCCC=CC(=O)NC(C)CC 11a_100000209981_100000212230 [0,1,0,0,0,0|1,0,2]=4 5453 B11R0.154 CCCC=CC(=O)NC(C)CC 1626a_100000209981_100000212230 [0,1,0,0,0,0|1,0,2]=4 5454 B11R0.154 CCCC=CC(=O)NC(C)CC 240690a_100000209981_100000212230 [0,1,0,0,0,0|1,0,2]=4 5455 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,1,0,0,0,0|1,0,1]=3 5456 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,1,0,0,0,0|1,0,1]=3 5457 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,1,0,0,0,0|1,0,1]=3 5458 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,1,0,0,0,0|2,0,1]=4 5459 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,1,0,0,0,0|2,0,1]=4 5460 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,1,0,0,0,0|2,0,1]=4 5461 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,1,0,0,0,0|2,0,1]=4 5462 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,1,0,0,0,0|1,0,0]=2 5463 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,1,0,0,0,0|1,0,0]=2 5464 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,1,0,0,0,0|1,0,0]=2 5465 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,1,0,0,0,0|1,0,0]=2 5466 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,1,0,0,0,0|2,0,0]=3 5467 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,1,0,0,0,0|2,0,0]=3 5468 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,1,0,0,0,0|2,0,0]=3 5469 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,1,0,0,0,0|1,0,0]=2 5470 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,1,0,0,0,0|2,0,0]=3 5471 B11R0.154 CCCCCC(=O)NC(C)C#N 11a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 5472 B11R0.154 CCCCCC(=O)NC(C)C#N 1626a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 5473 B11R0.154 CCCCCC(=O)NC(C)C#N 527a_100000737613_100000212188 [0,1,0,0,0,0|2,0,1]=4 5474 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,1,0,0,0,0|1,0,0]=2 5475 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,1,0,0,0,0|1,0,0]=2 5476 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,1,0,0,0,0|1,0,0]=2 5477 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,1,0,0,0,0|1,0,0]=2 5478 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 5479 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 5480 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 5481 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,1,0,0,0,0|2,0,0]=3 5482 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,1,0,0,0,0|2,0,0]=3 5483 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,1,0,0,0,0|2,0,0]=3 5484 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000209981_200011218191 [0,1,0,0,0,0|2,0,1]=4 5485 B11R0.154 CCCCCC(C)NC(C)CC 2230a_100000211957_100000758301 [0,1,0,0,0,0|2,0,1]=4 5486 B11R0.154 CCCCCC(C)NC(C)CC 270004a_100000209981_100000211708 [0,1,0,0,0,0|2,0,1]=4 5487 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,1,0,0,0,0|1,0,1]=3 5488 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,1,0,0,0,0|1,0,1]=3 5489 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,1,0,0,0,0|1,0,1]=3 5490 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,1,0,0,0,0|2,0,1]=4 5491 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,1,0,0,0,0|2,0,1]=4 5492 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,1,0,0,0,0|2,0,1]=4 5493 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,1,0,0,0,0|2,0,1]=4 5494 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,1,0,0,0,0|2,0,1]=4 5495 B11R0.154 CCCCCC(C)SC(C)CC 62a_100000758301_200011218191 [0,1,0,0,0,0|1,1,1]=4 5496 B11R0.154 CCCCCC(C)SC(C)CC 62a_200011218191_100000758301 [0,1,0,0,0,0|1,1,1]=4 5497 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000223495_100000748023 [0,1,0,0,0,0|3,0,0]=4 5498 B11R0.154 CCCCCN(C)CC(C)CC 2230a_100000753921_100000210326 [0,1,0,0,0,0|3,0,0]=4 5499 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000223495_100000748023 [0,1,0,0,0,0|3,0,0]=4 5500 B11R0.154 CCCCCN(C)CC(C)CC 269982a_100000753921_100000210215 [0,1,0,0,0,0|3,0,0]=4 5501 B11R0.154 CCCCCN(C)CC(C)CC 270004a_100000223495_100000243153 [0,1,0,0,0,0|3,0,0]=4 5502 B11R0.154 CCCCCN(C)CC(O)CC 2230a_100000223495_100011218378 [0,1,0,0,0,0|3,0,0]=4 5503 B11R0.154 CCCCCN(C)CC(O)CC 269982a_100000223495_100011218378 [0,1,0,0,0,0|3,0,0]=4 5504 B11R0.154 CCCCCN(C)C[C@@H](C)CC 2230a_100000223495_100009816398 [0,1,0,0,0,0|3,0,0]=4 5505 B11R0.154 CCCCCN(C)C[C@@H](C)CC 269982a_100000223495_100009816398 [0,1,0,0,0,0|3,0,0]=4 5506 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [0,1,0,0,0,0|2,0,1]=4 5507 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [0,1,0,0,0,0|2,0,1]=4 5508 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [0,1,0,0,0,0|2,0,1]=4 5509 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,1,0,0,0,0|2,0,1]=4 5510 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,1,0,0,0,0|2,0,0]=3 5511 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,1,0,0,0,0|2,0,0]=3 5512 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,1,0,0,0,0|2,0,0]=3 5513 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,1,0,0,0,0|2,0,0]=3 5514 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,1,0,0,0,0|2,0,0]=3 5515 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,1,0,0,0,0|2,0,0]=3 5516 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [0,1,0,0,0,0|3,0,0]=4 5517 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [0,1,0,0,0,0|3,0,0]=4 5518 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [0,1,0,0,0,0|3,0,0]=4 5519 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [0,1,0,0,0,0|3,0,0]=4 5520 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [0,1,0,0,0,0|3,0,0]=4 5521 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [0,1,0,0,0,0|3,0,0]=4 5522 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 5523 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 5524 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 5525 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 5526 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [0,1,0,0,0,0|2,0,0]=3 5527 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [0,1,0,0,0,0|2,0,0]=3 5528 B11R0.154 CCCCNC(=O)N[C@H](C)CF 2708a_100000102301_100102880703 [0,1,0,0,0,0|3,0,0]=4 5529 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100000102301_100102880703 [0,1,0,0,0,0|3,0,0]=4 5530 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000102301 [0,1,0,0,0,0|3,0,0]=4 5531 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100000102301_100102880703 [0,1,0,0,0,0|3,0,0]=4 5532 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000102301 [0,1,0,0,0,0|3,0,0]=4 5533 B11R0.154 CCCCNC(=O)N[C@H](C)CO 2708a_100000102301_100000737577 [0,1,0,0,0,0|3,0,0]=4 5534 B11R0.154 CCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000102301 [0,1,0,0,0,0|3,0,0]=4 5535 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000102301_100000737577 [0,1,0,0,0,0|3,0,0]=4 5536 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000102301 [0,1,0,0,0,0|3,0,0]=4 5537 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,1,0,0,0,0|2,0,1]=4 5538 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,1,0,0,0,0|3,0,0]=4 5539 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,1,0,0,0,0|3,0,0]=4 5540 B11R0.154 CCCNNC(=O)CC(C)CC 22a_100000740057_100000708755 [0,1,0,0,0,0|3,0,0]=4 5541 B11R0.154 CCCNNC(=O)CC(O)CC 22a_100000740057_100011667805 [0,1,0,0,0,0|3,0,0]=4 5542 B11R0.154 CCCNNC(=O)NC(C)CC 273464a_100000209981_100000740057 [0,1,0,0,0,0|3,0,0]=4 5543 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000209981_100000740057 [0,1,0,0,0,0|3,0,0]=4 5544 B11R0.154 CCCNNC(=O)NC(C)CC 512a_100000740057_100000209981 [0,1,0,0,0,0|3,0,0]=4 5545 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,1,0,0,0,0|2,0,1]=4 5546 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,1,0,0,0,0|2,0,0]=3 5547 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,1,0,0,0,0|2,0,0]=3 5548 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,1,0,0,0,0|2,0,0]=3 5549 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,1,0,0,0,0|3,0,0]=4 5550 B11R0.154 CCCOCC(=O)NC(C)CC 11a_100000209981_100000745993 [0,1,0,0,0,0|2,0,0]=3 5551 B11R0.154 CCCOCC(=O)NC(C)CC 1626a_100000209981_100000745993 [0,1,0,0,0,0|2,0,0]=3 5552 B11R0.154 CCCOCC(=O)NC(C)CC 240690a_100000209981_100000745993 [0,1,0,0,0,0|2,0,0]=3 5553 B11R0.154 CCCOCC(=O)NC(C)CC 34a_100000210258_100000182745 [0,1,0,0,0,0|2,0,0]=3 5554 B11R0.154 CCCOCC(=O)NC(C)CC 527a_100000209981_100000745993 [0,1,0,0,0,0|2,0,0]=3 5555 B11R0.154 CCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 5556 B11R0.154 CCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 5557 B11R0.154 CCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 5558 B11R0.154 CCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000745993 [0,1,0,0,0,0|3,0,0]=4 5559 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,1,0,0,0,0|3,0,0]=4 5560 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,1,0,0,0,0|3,0,0]=4 5561 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,1,0,0,0,0|2,0,1]=4 5562 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,1,0,0,0,0|2,0,0]=3 5563 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,1,0,0,0,0|2,0,0]=3 5564 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,1,0,0,0,0|2,0,0]=3 5565 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,1,0,0,0,0|3,0,0]=4 5566 B11R0.154 CCCSCC(=O)NC(C)CC 11a_100000209981_100000217233 [0,1,0,0,0,0|2,0,0]=3 5567 B11R0.154 CCCSCC(=O)NC(C)CC 1626a_100000209981_100000217233 [0,1,0,0,0,0|2,0,0]=3 5568 B11R0.154 CCCSCC(=O)NC(C)CC 240690a_100000209981_100000217233 [0,1,0,0,0,0|2,0,0]=3 5569 B11R0.154 CCCSCC(=O)NC(C)CC 527a_100000209981_100000217233 [0,1,0,0,0,0|2,0,0]=3 5570 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000182745_100000210303 [0,1,0,0,0,0|2,0,0]=3 5571 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000210303_100000182745 [0,1,0,0,0,0|2,0,0]=3 5572 B11R0.154 CCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 5573 B11R0.154 CCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 5574 B11R0.154 CCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 5575 B11R0.154 CCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000217233 [0,1,0,0,0,0|3,0,0]=4 5576 B11R0.154 CCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000217233 [0,1,0,0,0,0|3,0,0]=4 5577 B11R0.154 CCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000217233 [0,1,0,0,0,0|3,0,0]=4 5578 B11R0.154 CCN(C)CC(=O)CCCCF 1458a_100116209913_100000729493 [0,1,0,0,0,0|3,0,0]=4 5579 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [0,1,0,0,0,0|3,0,0]=4 5580 B11R0.154 CCN(C)CC(=O)CCCOC 1458a_100116209913_100000740836 [0,1,0,0,0,0|3,0,0]=4 5581 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [0,1,0,0,0,0|2,0,1]=4 5582 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,1,0,0,0,0|2,0,1]=4 5583 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,1,0,0,0,0|2,0,0]=3 5584 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,1,0,0,0,0|2,0,0]=3 5585 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,1,0,0,0,0|2,0,0]=3 5586 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,1,0,0,0,0|2,0,0]=3 5587 B11R0.154 CCOCCC(=O)CN(C)CC 1458a_100116209913_100011215890 [0,1,0,0,0,0|3,0,0]=4 5588 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,1,0,0,0,0|2,0,0]=3 5589 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,1,0,0,0,0|3,0,0]=4 5590 B11R0.154 CCOCCC(=O)NC(C)CC 11a_100000209981_100000749530 [0,1,0,0,0,0|2,0,0]=3 5591 B11R0.154 CCOCCC(=O)NC(C)CC 1626a_100000209981_100000749530 [0,1,0,0,0,0|2,0,0]=3 5592 B11R0.154 CCOCCC(=O)NC(C)CC 240690a_100000209981_100000749530 [0,1,0,0,0,0|2,0,0]=3 5593 B11R0.154 CCOCCC(=O)NC(C)CC 527a_100000209981_100000749530 [0,1,0,0,0,0|2,0,0]=3 5594 B11R0.154 CCOCCC(=O)N[C@H](C)CF 11a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 5595 B11R0.154 CCOCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 5596 B11R0.154 CCOCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 5597 B11R0.154 CCOCCC(=O)N[C@H](C)CF 527a_100102880703_100000749530 [0,1,0,0,0,0|3,0,0]=4 5598 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,1,0,0,0,0|3,0,0]=4 5599 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,1,0,0,0,0|3,0,0]=4 5600 B11R0.154 CCSCCC(=O)C=C(C)CC 1458a_100020758463_100000757381 [0,1,0,0,0,0|2,0,1]=4 5601 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,1,0,0,0,0|2,0,1]=4 5602 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,1,0,0,0,0|2,0,0]=3 5603 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,1,0,0,0,0|2,0,0]=3 5604 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,1,0,0,0,0|2,0,0]=3 5605 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,1,0,0,0,0|2,0,0]=3 5606 B11R0.154 CCSCCC(=O)CN(C)CC 1458a_100116209913_100000757381 [0,1,0,0,0,0|3,0,0]=4 5607 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,1,0,0,0,0|2,0,0]=3 5608 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,1,0,0,0,0|3,0,0]=4 5609 B11R0.154 CCSCCC(=O)NC(C)CC 11a_100000209981_100000230768 [0,1,0,0,0,0|2,0,0]=3 5610 B11R0.154 CCSCCC(=O)NC(C)CC 1626a_100000209981_100000230768 [0,1,0,0,0,0|2,0,0]=3 5611 B11R0.154 CCSCCC(=O)NC(C)CC 240690a_100000209981_100000230768 [0,1,0,0,0,0|2,0,0]=3 5612 B11R0.154 CCSCCC(=O)NC(C)CC 527a_100000209981_100000230768 [0,1,0,0,0,0|2,0,0]=3 5613 B11R0.154 CCSCCC(=O)N[C@H](C)CF 11a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 5614 B11R0.154 CCSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 5615 B11R0.154 CCSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 5616 B11R0.154 CCSCCC(=O)N[C@H](C)CF 527a_100102880703_100000230768 [0,1,0,0,0,0|3,0,0]=4 5617 B11R0.154 CCSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000230768 [0,1,0,0,0,0|3,0,0]=4 5618 B11R0.154 CCSCCC(=O)N[C@H](C)CO 527a_100000737577_100000230768 [0,1,0,0,0,0|3,0,0]=4 5619 B11R0.154 CC[C@H](C)CC(=O)CCCC#N 1458a_100000075515_100009816398 [0,1,0,0,0,0|2,0,1]=4 5620 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,1,0,0,0,0|2,0,0]=3 5621 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,1,0,0,0,0|2,0,0]=3 5622 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,1,0,0,0,0|2,0,0]=3 5623 B11R0.154 CC[C@H](C)CC(=O)COCCO 1458a_100000708028_100009816398 [0,1,0,0,0,0|3,0,0]=4 5624 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,1,0,0,0,0|3,0,0]=4 5625 B11R0.154 COCCCC(=O)N[C@H](C)CF 11a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 5626 B11R0.154 COCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 5627 B11R0.154 COCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 5628 B11R0.154 COCCCC(=O)N[C@H](C)CF 527a_100102880703_100000741012 [0,1,0,0,0,0|3,0,0]=4 5629 B11R0.154 COCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000741012 [0,1,0,0,0,0|3,0,0]=4 5630 B11R0.154 COCCCC(=O)N[C@H](C)CO 527a_100000737577_100000741012 [0,1,0,0,0,0|3,0,0]=4 5631 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,1,0,0,0,0|3,0,0]=4 5632 B11R0.154 CSCCCC(=O)N[C@H](C)CF 11a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 5633 B11R0.154 CSCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 5634 B11R0.154 CSCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 5635 B11R0.154 CSCCCC(=O)N[C@H](C)CF 527a_100102880703_100000173376 [0,1,0,0,0,0|3,0,0]=4 5636 B11R0.154 CSCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000173376 [0,1,0,0,0,0|3,0,0]=4 5637 B11R0.154 CSCCCC(=O)N[C@H](C)CO 527a_100000737577_100000173376 [0,1,0,0,0,0|3,0,0]=4 5638 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,1,0,0,0,0|3,0,0]=4 5639 B11R0.154 C[C@H](CF)NC(=O)CCCCO 1626a_100102880703_100000695505 [0,1,0,0,0,0|3,0,0]=4 5640 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000210906_100000731252 [0,1,0,0,0,0|1,0,2]=4 5641 B11R0.155 C#CCCCC(=O)C(C)CCC 1458a_100000690238_100000766640 [0,1,0,0,0,0|1,0,2]=4 5642 B11R0.155 C#CCCCC(=O)N(C)CCC 11a_100000747261_100000690238 [0,1,0,0,0,0|1,0,2]=4 5643 B11R0.155 C#CCCCC(=O)N(C)CCC 1626a_100000747261_100000690238 [0,1,0,0,0,0|1,0,2]=4 5644 B11R0.155 C#CCCCC(=O)N(C)CCC 240690a_100000747261_100000690238 [0,1,0,0,0,0|1,0,2]=4 5645 B11R0.155 C#CCCCC(=O)N(C)CCC 527a_100000747261_100000690238 [0,1,0,0,0,0|1,0,2]=4 5646 B11R0.155 C#CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000731252 [0,1,0,0,0,0|1,0,2]=4 5647 B11R0.155 C#CCN(C)C(=O)CCCCC 11a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 5648 B11R0.155 C#CCN(C)C(=O)CCCCC 1626a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 5649 B11R0.155 C#CCN(C)C(=O)CCCCC 527a_100000225692_100000212188 [0,1,0,0,0,0|1,0,2]=4 5650 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,1,0,0,0,0|1,0,2]=4 5651 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000210906_100000757094 [0,1,0,0,0,0|1,0,2]=4 5652 B11R0.155 C=CCCCC(=O)C(C)CCC 1458a_100000766728_100000766640 [0,1,0,0,0,0|1,0,2]=4 5653 B11R0.155 C=CCCCC(=O)N(C)CCC 11a_100000747261_100000766728 [0,1,0,0,0,0|1,0,2]=4 5654 B11R0.155 C=CCCCC(=O)N(C)CCC 1626a_100000747261_100000766728 [0,1,0,0,0,0|1,0,2]=4 5655 B11R0.155 C=CCCCC(=O)N(C)CCC 240690a_100000747261_100000766728 [0,1,0,0,0,0|1,0,2]=4 5656 B11R0.155 C=CCCCC(=O)N(C)CCC 527a_100000747261_100000766728 [0,1,0,0,0,0|1,0,2]=4 5657 B11R0.155 C=CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000757094 [0,1,0,0,0,0|1,0,2]=4 5658 B11R0.155 C=CCN(C)C(=O)CCCCC 11a_100000225617_100000212188 [0,1,0,0,0,0|1,0,2]=4 5659 B11R0.155 C=CCN(C)C(=O)CCCCC 1626a_100000225617_100000212188 [0,1,0,0,0,0|1,0,2]=4 5660 B11R0.155 C=CCN(C)C(=O)CCCCC 240690a_100000225617_100000212188 [0,1,0,0,0,0|1,0,2]=4 5661 B11R0.155 C=CCN(C)C(=O)CCCCC 527a_100000225617_100000212188 [0,1,0,0,0,0|1,0,2]=4 5662 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,1,0,0,0,0|3,0,0]=4 5663 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,1,0,0,0,0|1,0,1]=3 5664 B11R0.155 CC/C=C(\C)/C(=O)CCCCF 1458a_100016988807_100000729493 [0,1,0,0,0,0|2,0,1]=4 5665 B11R0.155 CC/C=C(\C)/C(=O)CCCCO 1458a_100016988807_100000210776 [0,1,0,0,0,0|2,0,1]=4 5666 B11R0.155 CC/C=C(\C)/C(=O)CCCOC 1458a_100016988807_100000740836 [0,1,0,0,0,0|2,0,1]=4 5667 B11R0.155 CC/C=C(\C)/C(=O)CCOCC 1458a_100016988807_100011215890 [0,1,0,0,0,0|2,0,1]=4 5668 B11R0.155 CC/C=C(\C)/C(=O)CCSCC 1458a_100016988807_100000757381 [0,1,0,0,0,0|2,0,1]=4 5669 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 11a_100000102301_100016988807 [0,1,0,0,0,0|2,0,1]=4 5670 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100016988807 [0,1,0,0,0,0|2,0,1]=4 5671 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_100016988807 [0,1,0,0,0,0|2,0,1]=4 5672 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 527a_100000102301_100016988807 [0,1,0,0,0,0|2,0,1]=4 5673 B11R0.155 CC/C=C/CC(=O)C(C)CCC 1458a_100016274230_100000766640 [0,1,0,0,0,0|1,0,2]=4 5674 B11R0.155 CC/C=C/CC(=O)N(C)CCC 11a_100000747261_100016274230 [0,1,0,0,0,0|1,0,2]=4 5675 B11R0.155 CC/C=C/CC(=O)N(C)CCC 1626a_100000747261_100016274230 [0,1,0,0,0,0|1,0,2]=4 5676 B11R0.155 CC/C=C/CC(=O)N(C)CCC 240690a_100000747261_100016274230 [0,1,0,0,0,0|1,0,2]=4 5677 B11R0.155 CC/C=C/CC(=O)N(C)CCC 527a_100000747261_100016274230 [0,1,0,0,0,0|1,0,2]=4 5678 B11R0.155 CC/C=C\CC(=O)C(C)CCC 1458a_100000210906_100103147603 [0,1,0,0,0,0|1,0,2]=4 5679 B11R0.155 CC/C=C\CC(=O)[C@@H](O)CCC 1458a_100009822183_100103147603 [0,1,0,0,0,0|1,0,2]=4 5680 B11R0.155 CCC#CCC(=O)C(C)CCC 1458a_100000210906_100009813939 [0,1,0,0,0,0|1,0,2]=4 5681 B11R0.155 CCC#CCC(=O)[C@@H](O)CCC 1458a_100009822183_100009813939 [0,1,0,0,0,0|1,0,2]=4 5682 B11R0.155 CCCC#CC(=O)C(C)CCC 1458a_200011218047_100000766640 [0,1,0,0,0,0|1,0,2]=4 5683 B11R0.155 CCCC#CC(=O)N(C)CCC 240690a_100000747261_200011218047 [0,1,0,0,0,0|1,0,2]=4 5684 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000075515_100000766640 [0,1,0,0,0,0|2,0,1]=4 5685 B11R0.155 CCCC(C)C(=O)CCCC#N 1458a_100000210906_100000211468 [0,1,0,0,0,0|2,0,1]=4 5686 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,1,0,0,0,0|2,0,0]=3 5687 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,1,0,0,0,0|2,0,0]=3 5688 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,1,0,0,0,0|2,0,0]=3 5689 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [0,1,0,0,0,0|2,0,0]=3 5690 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [0,1,0,0,0,0|2,0,0]=3 5691 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [0,1,0,0,0,0|2,0,0]=3 5692 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [0,1,0,0,0,0|2,0,0]=3 5693 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [0,1,0,0,0,0|2,0,0]=3 5694 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [0,1,0,0,0,0|2,0,0]=3 5695 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [0,1,0,0,0,0|2,0,0]=3 5696 B11R0.155 CCCC(C)C(=O)COCCO 1458a_100000708028_100000766640 [0,1,0,0,0,0|3,0,0]=4 5697 B11R0.155 CCCC(C)C(=O)NCCCF 11a_100015189416_100000210906 [0,1,0,0,0,0|3,0,0]=4 5698 B11R0.155 CCCC(C)C(=O)NCCCF 1626a_100015189416_100000210906 [0,1,0,0,0,0|3,0,0]=4 5699 B11R0.155 CCCC(C)C(=O)NCCCF 240690a_100015189416_100000210906 [0,1,0,0,0,0|3,0,0]=4 5700 B11R0.155 CCCC(C)C(=O)NCCCF 527a_100015189416_100000210906 [0,1,0,0,0,0|3,0,0]=4 5701 B11R0.155 CCCC(C)C(=O)NCCCO 240690a_100000182051_100000210906 [0,1,0,0,0,0|3,0,0]=4 5702 B11R0.155 CCCC(C)C(=O)NCCCO 527a_100000182051_100000210906 [0,1,0,0,0,0|3,0,0]=4 5703 B11R0.155 CCCC(C)C(=O)NCCOC 1626a_100000209980_100000210906 [0,1,0,0,0,0|3,0,0]=4 5704 B11R0.155 CCCC(C)C(=O)NCCOC 240690a_100000209980_100000210906 [0,1,0,0,0,0|3,0,0]=4 5705 B11R0.155 CCCC(C)C(=O)NCCOC 527a_100000209980_100000210906 [0,1,0,0,0,0|3,0,0]=4 5706 B11R0.155 CCCC(C)C(=O)NCCSC 11a_100020590264_100000210906 [0,1,0,0,0,0|3,0,0]=4 5707 B11R0.155 CCCC(C)C(=O)NCCSC 1626a_100020590264_100000210906 [0,1,0,0,0,0|3,0,0]=4 5708 B11R0.155 CCCC(C)C(=O)NCCSC 240690a_100020590264_100000210906 [0,1,0,0,0,0|3,0,0]=4 5709 B11R0.155 CCCC(C)C(=O)NCCSC 527a_100020590264_100000210906 [0,1,0,0,0,0|3,0,0]=4 5710 B11R0.155 CCCC=CC(=O)C(C)CCC 1458a_100000212230_100000766640 [0,1,0,0,0,0|1,0,2]=4 5711 B11R0.155 CCCC=CC(=O)N(C)CCC 11a_100000747261_100000212230 [0,1,0,0,0,0|1,0,2]=4 5712 B11R0.155 CCCC=CC(=O)N(C)CCC 1626a_100000747261_100000212230 [0,1,0,0,0,0|1,0,2]=4 5713 B11R0.155 CCCC=CC(=O)N(C)CCC 240690a_100000747261_100000212230 [0,1,0,0,0,0|1,0,2]=4 5714 B11R0.155 CCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210326 [0,1,0,0,0,0|3,0,0]=4 5715 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,1,0,0,0,0|2,0,0]=3 5716 B11R0.155 CCCCCC(=O)C(C)CC#N 1458a_100000212188_100009813641 [0,1,0,0,0,0|2,0,1]=4 5717 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,1,0,0,0,0|1,0,0]=2 5718 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,1,0,0,0,0|1,0,0]=2 5719 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,1,0,0,0,0|2,0,0]=3 5720 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,1,0,0,0,0|2,0,0]=3 5721 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,1,0,0,0,0|2,0,0]=3 5722 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,1,0,0,0,0|2,0,0]=3 5723 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,1,0,0,0,0|2,0,0]=3 5724 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [0,1,0,0,0,0|2,0,0]=3 5725 B11R0.155 CCCCCC(=O)N(C)CC#N 11a_100000748184_100000212188 [0,1,0,0,0,0|2,0,1]=4 5726 B11R0.155 CCCCCC(=O)N(C)CC#N 1626a_100000748184_100000212188 [0,1,0,0,0,0|2,0,1]=4 5727 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,1,0,0,0,0|1,0,0]=2 5728 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,1,0,0,0,0|1,0,0]=2 5729 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,1,0,0,0,0|1,0,0]=2 5730 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,1,0,0,0,0|1,0,0]=2 5731 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,1,0,0,0,0|2,0,0]=3 5732 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,1,0,0,0,0|2,0,0]=3 5733 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,1,0,0,0,0|1,0,0]=2 5734 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,1,0,0,0,0|2,0,1]=4 5735 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,1,0,0,0,0|2,0,1]=4 5736 B11R0.155 CCCCCC(C)N(C)CCC 2230a_100000747261_200011218191 [0,1,0,0,0,0|2,0,1]=4 5737 B11R0.155 CCCCCC(C)N(C)CCC 269982a_100000747261_200011218191 [0,1,0,0,0,0|2,0,1]=4 5738 B11R0.155 CCCCCC(C)N(C)CCC 270004a_100000747261_100000211708 [0,1,0,0,0,0|2,0,1]=4 5739 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,1,0,0,0,0|3,0,0]=4 5740 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,1,0,0,0,0|3,0,0]=4 5741 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,1,0,0,0,0|3,0,0]=4 5742 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,1,0,0,0,0|3,0,0]=4 5743 B11R0.155 CCCCCN(C)C(C)CCC 2230a_100000223495_100000766640 [0,1,0,0,0,0|3,0,0]=4 5744 B11R0.155 CCCCCN(C)C(C)CCC 269982a_100000223495_100000766640 [0,1,0,0,0,0|3,0,0]=4 5745 B11R0.155 CCCCCN(C)C(C)CCC 270004a_100000223495_100000211909 [0,1,0,0,0,0|3,0,0]=4 5746 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 5747 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 5748 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,1,0,0,0,0|3,0,0]=4 5749 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 5750 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 5751 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,1,0,0,0,0|3,0,0]=4 5752 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,1,0,0,0,0|2,0,0]=3 5753 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,1,0,0,0,0|2,0,0]=3 5754 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,1,0,0,0,0|2,0,0]=3 5755 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,1,0,0,0,0|2,0,0]=3 5756 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [0,1,0,0,0,0|3,0,0]=4 5757 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [0,1,0,0,0,0|3,0,0]=4 5758 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [0,1,0,0,0,0|3,0,0]=4 5759 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [0,1,0,0,0,0|3,0,0]=4 5760 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [0,1,0,0,0,0|3,0,0]=4 5761 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [0,1,0,0,0,0|3,0,0]=4 5762 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [0,1,0,0,0,0|3,0,0]=4 5763 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [0,1,0,0,0,0|3,0,0]=4 5764 B11R0.155 CCCCNC(=O)C(C)NCC 2230a_100015525214_100000735917 [0,1,0,0,0,0|3,0,0]=4 5765 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [0,1,0,0,0,0|3,0,0]=4 5766 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [0,1,0,0,0,0|3,0,0]=4 5767 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [0,1,0,0,0,0|3,0,0]=4 5768 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [0,1,0,0,0,0|3,0,0]=4 5769 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [0,1,0,0,0,0|3,0,0]=4 5770 B11R0.155 CCCCNC(=O)C(C)SCC 11a_100000102301_100000230601 [0,1,0,0,0,0|3,0,0]=4 5771 B11R0.155 CCCCNC(=O)C(C)SCC 1626a_100000102301_100000230601 [0,1,0,0,0,0|3,0,0]=4 5772 B11R0.155 CCCCNC(=O)C(C)SCC 240690a_100000102301_100000230601 [0,1,0,0,0,0|3,0,0]=4 5773 B11R0.155 CCCCNC(=O)C(C)SCC 527a_100000102301_100000230601 [0,1,0,0,0,0|3,0,0]=4 5774 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000210202_100000735917 [0,1,0,0,0,0|3,0,0]=4 5775 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000735917_100000210202 [0,1,0,0,0,0|3,0,0]=4 5776 B11R0.155 CCCCNC(=O)N(C)CCC 2708a_100000102301_100000747261 [0,1,0,0,0,0|2,0,0]=3 5777 B11R0.155 CCCCNC(=O)N(C)CCC 273464a_100000102301_100000747261 [0,1,0,0,0,0|2,0,0]=3 5778 B11R0.155 CCCCNC(=O)N(C)CCO 2708a_100000102301_100000210263 [0,1,0,0,0,0|3,0,0]=4 5779 B11R0.155 CCCCNC(=O)N(C)CCO 273464a_100000102301_100000210263 [0,1,0,0,0,0|3,0,0]=4 5780 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,1,0,0,0,0|2,0,0]=3 5781 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,1,0,0,0,0|3,0,0]=4 5782 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,1,0,0,0,0|3,0,0]=4 5783 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,1,0,0,0,0|3,0,0]=4 5784 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,1,0,0,0,0|3,0,0]=4 5785 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,1,0,0,0,0|3,0,0]=4 5786 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,1,0,0,0,0|3,0,0]=4 5787 B11R0.155 CCCN(C)C(=O)CCCC#N 11a_100000747261_100000075515 [0,1,0,0,0,0|2,0,1]=4 5788 B11R0.155 CCCN(C)C(=O)CCCC#N 1626a_100000747261_100000075515 [0,1,0,0,0,0|2,0,1]=4 5789 B11R0.155 CCCN(C)C(=O)CCCC#N 240690a_100000747261_100000075515 [0,1,0,0,0,0|2,0,1]=4 5790 B11R0.155 CCCN(C)C(=O)CCCC#N 527a_100000747261_100000075515 [0,1,0,0,0,0|2,0,1]=4 5791 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [0,1,0,0,0,0|2,0,0]=3 5792 B11R0.155 CCCN(C)C(=O)CCCOC 11a_100000747261_100000741012 [0,1,0,0,0,0|2,0,0]=3 5793 B11R0.155 CCCN(C)C(=O)CCCOC 1626a_100000747261_100000741012 [0,1,0,0,0,0|2,0,0]=3 5794 B11R0.155 CCCN(C)C(=O)CCCOC 240690a_100000747261_100000741012 [0,1,0,0,0,0|2,0,0]=3 5795 B11R0.155 CCCN(C)C(=O)CCCOC 527a_100000747261_100000741012 [0,1,0,0,0,0|2,0,0]=3 5796 B11R0.155 CCCN(C)C(=O)CCCSC 11a_100000747261_100000173376 [0,1,0,0,0,0|2,0,0]=3 5797 B11R0.155 CCCN(C)C(=O)CCCSC 1626a_100000747261_100000173376 [0,1,0,0,0,0|2,0,0]=3 5798 B11R0.155 CCCN(C)C(=O)CCCSC 240690a_100000747261_100000173376 [0,1,0,0,0,0|2,0,0]=3 5799 B11R0.155 CCCN(C)C(=O)CCCSC 527a_100000747261_100000173376 [0,1,0,0,0,0|2,0,0]=3 5800 B11R0.155 CCCN(C)C(=O)CCOCC 11a_100000747261_100000749530 [0,1,0,0,0,0|2,0,0]=3 5801 B11R0.155 CCCN(C)C(=O)CCOCC 1626a_100000747261_100000749530 [0,1,0,0,0,0|2,0,0]=3 5802 B11R0.155 CCCN(C)C(=O)CCOCC 240690a_100000747261_100000749530 [0,1,0,0,0,0|2,0,0]=3 5803 B11R0.155 CCCN(C)C(=O)CCOCC 527a_100000747261_100000749530 [0,1,0,0,0,0|2,0,0]=3 5804 B11R0.155 CCCN(C)C(=O)CCSCC 11a_100000747261_100000230768 [0,1,0,0,0,0|2,0,0]=3 5805 B11R0.155 CCCN(C)C(=O)CCSCC 1626a_100000747261_100000230768 [0,1,0,0,0,0|2,0,0]=3 5806 B11R0.155 CCCN(C)C(=O)CCSCC 240690a_100000747261_100000230768 [0,1,0,0,0,0|2,0,0]=3 5807 B11R0.155 CCCN(C)C(=O)CCSCC 527a_100000747261_100000230768 [0,1,0,0,0,0|2,0,0]=3 5808 B11R0.155 CCCN(C)C(=O)COCCO 1626a_100000747261_100000708028 [0,1,0,0,0,0|3,0,0]=4 5809 B11R0.155 CCCN(C)C(=O)COCCO 240690a_100000747261_100000708028 [0,1,0,0,0,0|3,0,0]=4 5810 B11R0.155 CCCN(C)C(=O)NCCCF 2708a_100015189416_100000747261 [0,1,0,0,0,0|3,0,0]=4 5811 B11R0.155 CCCN(C)C(=O)NCCCF 273464a_100015189416_100000747261 [0,1,0,0,0,0|3,0,0]=4 5812 B11R0.155 CCCN(C)C(=O)NCCCO 273464a_100000182051_100000747261 [0,1,0,0,0,0|3,0,0]=4 5813 B11R0.155 CCCN(C)C(=O)NCCOC 273464a_100000209980_100000747261 [0,1,0,0,0,0|3,0,0]=4 5814 B11R0.155 CCCN(C)C(=O)NCCSC 2708a_100020590264_100000747261 [0,1,0,0,0,0|3,0,0]=4 5815 B11R0.155 CCCN(C)C(=O)NCCSC 273464a_100020590264_100000747261 [0,1,0,0,0,0|3,0,0]=4 5816 B11R0.155 CCCNNC(=O)C(C)CCC 22a_100000740057_100000210906 [0,1,0,0,0,0|3,0,0]=4 5817 B11R0.155 CCCNNC(=O)[C@@H](O)CCC 22a_100000740057_100009822183 [0,1,0,0,0,0|3,0,0]=4 5818 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [0,1,0,0,0,0|2,0,0]=3 5819 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,1,0,0,0,0|3,0,0]=4 5820 B11R0.155 CCCOCC(=O)C(C)COC 1458a_100000745993_100000765312 [0,1,0,0,0,0|3,0,0]=4 5821 B11R0.155 CCCOCC(=O)N(C)CCC 11a_100000747261_100000745993 [0,1,0,0,0,0|2,0,0]=3 5822 B11R0.155 CCCOCC(=O)N(C)CCC 1626a_100000747261_100000745993 [0,1,0,0,0,0|2,0,0]=3 5823 B11R0.155 CCCOCC(=O)N(C)CCC 240690a_100000747261_100000745993 [0,1,0,0,0,0|2,0,0]=3 5824 B11R0.155 CCCOCC(=O)N(C)CCC 527a_100000747261_100000745993 [0,1,0,0,0,0|2,0,0]=3 5825 B11R0.155 CCCOCC(=O)N(C)CCO 240690a_100000210263_100000745993 [0,1,0,0,0,0|3,0,0]=4 5826 B11R0.155 CCCOCC(=O)N(C)CCO 527a_100000210263_100000745993 [0,1,0,0,0,0|3,0,0]=4 5827 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,1,0,0,0,0|3,0,0]=4 5828 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,1,0,0,0,0|3,0,0]=4 5829 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [0,1,0,0,0,0|2,0,0]=3 5830 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,1,0,0,0,0|3,0,0]=4 5831 B11R0.155 CCCSCC(=O)C(C)COC 1458a_100000217233_100000765312 [0,1,0,0,0,0|3,0,0]=4 5832 B11R0.155 CCCSCC(=O)N(C)CCC 11a_100000747261_100000217233 [0,1,0,0,0,0|2,0,0]=3 5833 B11R0.155 CCCSCC(=O)N(C)CCC 1626a_100000747261_100000217233 [0,1,0,0,0,0|2,0,0]=3 5834 B11R0.155 CCCSCC(=O)N(C)CCC 240690a_100000747261_100000217233 [0,1,0,0,0,0|2,0,0]=3 5835 B11R0.155 CCCSCC(=O)N(C)CCC 527a_100000747261_100000217233 [0,1,0,0,0,0|2,0,0]=3 5836 B11R0.155 CCCSCC(=O)N(C)CCO 240690a_100000210263_100000217233 [0,1,0,0,0,0|3,0,0]=4 5837 B11R0.155 CCCSCC(=O)N(C)CCO 527a_100000210263_100000217233 [0,1,0,0,0,0|3,0,0]=4 5838 B11R0.155 CCC[C@H](O)C(=O)CCCC#N 1458a_100009822183_100000211468 [0,1,0,0,0,0|2,0,1]=4 5839 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,1,0,0,0,0|2,0,0]=3 5840 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,1,0,0,0,0|2,0,0]=3 5841 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,1,0,0,0,0|2,0,0]=3 5842 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,1,0,0,0,0|2,0,0]=3 5843 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,1,0,0,0,0|2,0,0]=3 5844 B11R0.155 CCC[C@H](O)C(=O)NCCCF 240690a_100015189416_100009822183 [0,1,0,0,0,0|3,0,0]=4 5845 B11R0.155 CCC[C@H](O)C(=O)NCCCO 240690a_100000182051_100009822183 [0,1,0,0,0,0|3,0,0]=4 5846 B11R0.155 CCC[C@H](O)C(=O)NCCOC 240690a_100000209980_100009822183 [0,1,0,0,0,0|3,0,0]=4 5847 B11R0.155 CCC[C@H](O)C(=O)NCCSC 240690a_100020590264_100009822183 [0,1,0,0,0,0|3,0,0]=4 5848 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,1,0,0,0,0|3,0,0]=4 5849 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,1,0,0,0,0|3,0,0]=4 5850 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,1,0,0,0,0|3,0,0]=4 5851 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,1,0,0,0,0|3,0,0]=4 5852 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,1,0,0,0,0|3,0,0]=4 5853 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [0,1,0,0,0,0|3,0,0]=4 5854 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,1,0,0,0,0|3,0,0]=4 5855 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [0,1,0,0,0,0|3,0,0]=4 5856 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [0,1,0,0,0,0|3,0,0]=4 5857 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,1,0,0,0,0|3,0,0]=4 5858 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000749530_100000765312 [0,1,0,0,0,0|3,0,0]=4 5859 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000751857_100011215890 [0,1,0,0,0,0|3,0,0]=4 5860 B11R0.155 CCOCCC(=O)C(C)CSC 1458a_100000753918_100011215890 [0,1,0,0,0,0|3,0,0]=4 5861 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [0,1,0,0,0,0|3,0,0]=4 5862 B11R0.155 CCOCCC(=O)C(C)SCC 1458a_100000230601_100011215890 [0,1,0,0,0,0|3,0,0]=4 5863 B11R0.155 CCOCCC(=O)N(C)CCO 240690a_100000210263_100000749530 [0,1,0,0,0,0|3,0,0]=4 5864 B11R0.155 CCOCCC(=O)N(C)CCO 527a_100000210263_100000749530 [0,1,0,0,0,0|3,0,0]=4 5865 B11R0.155 CCSC(C)C(=O)CCCCF 1458a_100000230601_100000729493 [0,1,0,0,0,0|3,0,0]=4 5866 B11R0.155 CCSC(C)C(=O)CCCCO 1458a_100000230601_100000210776 [0,1,0,0,0,0|3,0,0]=4 5867 B11R0.155 CCSC(C)C(=O)CCCOC 1458a_100000230601_100000740836 [0,1,0,0,0,0|3,0,0]=4 5868 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,1,0,0,0,0|3,0,0]=4 5869 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000230768_100000765312 [0,1,0,0,0,0|3,0,0]=4 5870 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000751857_100000757381 [0,1,0,0,0,0|3,0,0]=4 5871 B11R0.155 CCSCCC(=O)C(C)CSC 1458a_100000753918_100000757381 [0,1,0,0,0,0|3,0,0]=4 5872 B11R0.155 CCSCCC(=O)C(C)SCC 1458a_100000230601_100000757381 [0,1,0,0,0,0|3,0,0]=4 5873 B11R0.155 CCSCCC(=O)N(C)CCO 240690a_100000210263_100000230768 [0,1,0,0,0,0|3,0,0]=4 5874 B11R0.155 CCSCCC(=O)N(C)CCO 527a_100000210263_100000230768 [0,1,0,0,0,0|3,0,0]=4 5875 B11R0.155 COCC(C)C(=O)CCCCF 1458a_100000751857_100000729493 [0,1,0,0,0,0|3,0,0]=4 5876 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [0,1,0,0,0,0|3,0,0]=4 5877 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [0,1,0,0,0,0|3,0,0]=4 5878 B11R0.155 COCC(C)C(=O)CCCSC 1458a_100000173376_100000765312 [0,1,0,0,0,0|3,0,0]=4 5879 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,1,0,0,0,0|3,0,0]=4 5880 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000741012_100000765312 [0,1,0,0,0,0|3,0,0]=4 5881 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000751857_100000740836 [0,1,0,0,0,0|3,0,0]=4 5882 B11R0.155 COCCCC(=O)C(C)CSC 1458a_100000753918_100000740836 [0,1,0,0,0,0|3,0,0]=4 5883 B11R0.155 COCCCC(=O)N(C)CCO 240690a_100000210263_100000741012 [0,1,0,0,0,0|3,0,0]=4 5884 B11R0.155 COCCCC(=O)N(C)CCO 527a_100000210263_100000741012 [0,1,0,0,0,0|3,0,0]=4 5885 B11R0.155 CSCC(C)C(=O)CCCCF 1458a_100000753918_100000729493 [0,1,0,0,0,0|3,0,0]=4 5886 B11R0.155 CSCC(C)C(=O)CCCCO 1458a_100000753918_100000210776 [0,1,0,0,0,0|3,0,0]=4 5887 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,1,0,0,0,0|3,0,0]=4 5888 B11R0.155 CSCCCC(=O)N(C)CCO 240690a_100000210263_100000173376 [0,1,0,0,0,0|3,0,0]=4 5889 B11R0.155 CSCCCC(=O)N(C)CCO 527a_100000210263_100000173376 [0,1,0,0,0,0|3,0,0]=4 5890 B11R0.321 CCCCCS(=O)(=O)NCCC 270084a_100020643023_100000753860 [0,1,0,0,0,0|2,0,0]=3 5891 B11R0.321 CCCCCS(=O)(=O)NCCC 274078a_100020643023_100000753860 [0,1,0,0,0,0|2,0,0]=3 5892 B11R0.321 CCCCCS(=O)(=O)NCCF 270084a_100000724931_100000753860 [0,1,0,0,0,0|3,0,0]=4 5893 B11R0.321 CCCCCS(=O)(=O)NCCF 274078a_100000724931_100000753860 [0,1,0,0,0,0|3,0,0]=4 5894 B11R0.321 CCCCCS(=O)(=O)NCCO 270084a_100000210304_100000753860 [0,1,0,0,0,0|3,0,0]=4 5895 B11R0.321 CCCCCS(=O)(=O)NCCO 274078a_100000210304_100000753860 [0,1,0,0,0,0|3,0,0]=4 5896 B11R0.321 CCCCNS(=O)(=O)CCCC 270084a_100000102301_100000212082 [0,1,0,0,0,0|3,0,0]=4 5897 B11R0.321 CCCCNS(=O)(=O)CCCC 274078a_100000102301_100000212082 [0,1,0,0,0,0|3,0,0]=4 5898 B11R0.321 CCCCNS(=O)(=O)CCCC 40a_100000102301_100000054263 [0,1,0,0,0,0|3,0,0]=4 5899 B11R0.321 CCCNS(=O)(=O)CCCCCl 270084a_100020643023_100000021705 [0,1,0,0,0,0|3,0,0]=4 5900 B11R0.321 CCCNS(=O)(=O)CCOCC 270084a_100020643023_100000747040 [0,1,0,0,0,0|3,0,0]=4 5901 B11R0.321 CCCNS(=O)(=O)CCOCC 274078a_100020643023_100000747040 [0,1,0,0,0,0|3,0,0]=4 5902 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,0,0,1,0,0|3,0,0]=4 5903 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,0,0,1,0,0|3,0,0]=4 5904 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,0,0,1,0,0|3,0,0]=4 5905 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,0,0,1,0,0|2,0,0]=3 5906 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,0,0,1,0,0|2,0,0]=3 5907 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,0,0,1,0,0|3,0,0]=4 5908 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,0,0,1,0,0|3,0,0]=4 5909 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,0,0,1,0,0|3,0,0]=4 5910 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,0,0,1,0,0|3,0,0]=4 5911 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,0,0,1,0,0|2,0,0]=3 5912 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,0,0,1,0,0|2,0,0]=3 5913 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,0,0,1,0,0|2,0,0]=3 5914 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,0,0,1,0,0|2,0,0]=3 5915 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,0,0,1,0,0|2,0,0]=3 5916 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,0,0,1,0,0|2,0,0]=3 5917 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,0,0,1,0,0|3,0,0]=4 5918 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,0,0,1,0,0|2,0,0]=3 5919 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,0,0,1,0,0|2,0,0]=3 5920 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,0,0,1,0,0|2,0,0]=3 5921 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,0,0,1,0,0|2,0,0]=3 5922 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,0,0,1,0,0|3,0,0]=4 5923 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,0,0,1,0,0|3,0,0]=4 5924 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,0,0,1,0,0|2,0,0]=3 5925 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,0,0,1,0,0|2,0,0]=3 5926 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,0,0,1,0,0|3,0,0]=4 5927 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,0,0,1,0,0|3,0,0]=4 5928 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,0,0,1,0,0|3,0,0]=4 5929 B11R1.17 COCNC1CCCNC1=O 2230a_100000747585_100000766300 [0,0,0,1,0,0|3,0,0]=4 5930 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,0,0,1,0,0|3,0,0]=4 5931 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,0,0,1,0,0|3,0,0]=4 5932 B11R1.17 COCSC1CCCNC1=O 62a_100000687798_100000766300 [0,0,0,1,0,0|3,0,0]=4 5933 B11R1.17 COCSC1CCCNC1=O 62a_100000766300_100000687798 [0,0,0,1,0,0|3,0,0]=4 5934 B11R1.17 CSCNC1CCCNC1=O 2230a_100000747585_100011218213 [0,0,0,1,0,0|3,0,0]=4 5935 B11R1.17 CSCNC1CCCNC1=O 34a_100000747585_100011218213 [0,0,0,1,0,0|3,0,0]=4 5936 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,0,0,1,0,0|3,0,0]=4 5937 B11R1.17 CSCOC1CCCNC1=O 34a_100000073722_100011218213 [0,0,0,1,0,0|3,0,0]=4 5938 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,0,0,1,0,0|3,0,0]=4 5939 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,0,0,1,0,0|3,0,0]=4 5940 B11R1.17 CSCSC1CCCNC1=O 62a_100000687798_100011218213 [0,0,0,1,0,0|3,0,0]=4 5941 B11R1.17 CSCSC1CCCNC1=O 62a_100011218213_100000687798 [0,0,0,1,0,0|3,0,0]=4 5942 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,0,0,1,0,0|3,0,0]=4 5943 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,0,0,1,0,0|3,0,0]=4 5944 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,0,0,1,0,0|3,0,0]=4 5945 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,0,0,1,0,0|3,0,0]=4 5946 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,0,0,1,0,0|3,0,0]=4 5947 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,0,0,1,0,0|3,0,0]=4 5948 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,0,0,1,0,0|3,0,0]=4 5949 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,0,0,1,0,0|3,0,0]=4 5950 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,0,0,1,0,0|3,0,0]=4 5951 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,0,0,1,0,0|3,0,0]=4 5952 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,0,0,1,0,0|3,0,0]=4 5953 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,0,0,1,0,0|3,0,0]=4 5954 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,0,0,1,0,0|3,0,0]=4 5955 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 5956 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,0,0,1,0,0|3,0,0]=4 5957 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,0,0,1,0,0|3,0,0]=4 5958 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,0,0,1,0,0|3,0,0]=4 5959 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,0,0,1,0,0|3,0,0]=4 5960 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,0,0,1,0,0|3,0,0]=4 5961 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,0,0,1,0,0|3,0,0]=4 5962 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,0,0,1,0,0|3,0,0]=4 5963 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,0,0,1,0,0|3,0,0]=4 5964 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,0,0,1,0,0|3,0,0]=4 5965 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,0,0,1,0,0|3,0,0]=4 5966 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,0,0,1,0,0|3,0,0]=4 5967 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,0,0,1,0,0|3,0,0]=4 5968 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,0,0,1,0,0|3,0,0]=4 5969 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,0,0,1,0,0|3,0,0]=4 5970 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,0,0,1,0,0|3,0,0]=4 5971 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,0,0,1,0,0|3,0,0]=4 5972 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,0,0,1,0,0|2,0,1]=4 5973 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,0,0,1,0,0|2,0,1]=4 5974 B11R1.24 CCCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210211 [0,0,0,1,0,0|3,0,0]=4 5975 B11R1.24 CCCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210211 [0,0,0,1,0,0|3,0,0]=4 5976 B11R1.24 CCCCN1CCC[C@@H](C1)C 34a_100000717927_100000210210 [0,0,0,1,0,0|3,0,0]=4 5977 B11R1.24 CCCNC1CCCC(C1)C 2230a_100011194320_100000210303 [0,0,0,1,0,0|2,0,1]=4 5978 B11R1.24 CCCNC1CCCC(C1)C 270004a_100020643023_100000183594 [0,0,0,1,0,0|2,0,1]=4 5979 B11R1.24 CCCNC1CCCC(C1)C 34a_100011194320_100000210303 [0,0,0,1,0,0|2,0,1]=4 5980 B11R1.24 CCCOC1C=C(CCC1)C 34a_100011218613_100000210303 [0,0,0,1,0,0|1,0,2]=4 5981 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,0,0,1,0,0|1,0,1]=3 5982 B11R1.24 CCCOC1CCCN(C1)C 2230a_100000743837_200000210301 [0,0,0,1,0,0|2,0,1]=4 5983 B11R1.24 CCCOC1CCCN(C1)C 269982a_100000743837_200000210301 [0,0,0,1,0,0|2,0,1]=4 5984 B11R1.24 CCCOC1CCCN(C1)C 34a_100000743837_200000210301 [0,0,0,1,0,0|2,0,1]=4 5985 B11R1.24 CCCOC1CCCN(C1)[13CH3] 2230a_100000743837_200025704644 [0,0,0,1,0,0|2,0,1]=4 5986 B11R1.24 CCCOC1CCCN(C1)[13CH3] 269982a_100000743837_200025704644 [0,0,0,1,0,0|2,0,1]=4 5987 B11R1.24 CCCOC1CCCN(C1)[13CH3] 34a_100000743837_200025704644 [0,0,0,1,0,0|2,0,1]=4 5988 B11R1.24 CCCOC1CCOC(C1)C 34a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 5989 B11R1.24 CCCOC1CCOC(C1)C 7a_100011986385_100000210303 [0,0,0,1,0,0|2,0,1]=4 5990 B11R1.24 CCNN=C1CCCC(C1)C 4a_100000756455_100000183594 [0,0,0,1,0,0|3,0,0]=4 5991 B11R1.24 CSCOC1CCCC(C1)C 34a_100000211399_100011218213 [0,0,0,1,0,0|2,0,1]=4 5992 B11R1.27 CCCCCN1CC[C@H](C1)C 2230a_100016987628_100000210326 [0,0,0,1,0,0|3,0,0]=4 5993 B11R1.27 CCCCCN1CC[C@H](C1)C 269982a_100016987628_100000210215 [0,0,0,1,0,0|3,0,0]=4 5994 B11R1.27 CCCCCN1CC[C@H](C1)C 34a_100016987628_100000718602 [0,0,0,1,0,0|3,0,0]=4 5995 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,0,0,1,0,0|2,0,1]=4 5996 B11R1.28 CCCCOC1CCCCO1 34a_100000033831_100000210210 [0,0,0,1,0,0|2,0,1]=4 5997 B11R1.28 CCCNCC1CCCCO1 2230a_100000174945_100000210303 [0,0,0,1,0,0|2,0,1]=4 5998 B11R1.28 CCCNCC1CCCCO1 34a_100000174945_100000210303 [0,0,0,1,0,0|2,0,1]=4 5999 B11R1.28 CCCOCC1CCCCO1 34a_100000210258_100000211543 [0,0,0,1,0,0|2,0,1]=4 6000 B11R1.28 CCCOCC1CCCCO1 34a_100000211370_100000210303 [0,0,0,1,0,0|2,0,1]=4 6001 B11R1.28 CCCOCC1CCCCO1 7a_100000211370_100000210303 [0,0,0,1,0,0|2,0,1]=4 6002 B11R1.28 CCCSCC1CCCCO1 62a_100000210303_100000211543 [0,0,0,1,0,0|2,0,1]=4 6003 B11R1.28 CCCSCC1CCCCO1 62a_100000211543_100000210303 [0,0,0,1,0,0|2,0,1]=4 6004 B11R1.28 CCNCCC1=CCCCC1 2230a_100000212019_100000210202 [0,0,0,1,0,0|3,0,0]=4 6005 B11R1.28 CCNCCC1=CCCCC1 34a_100000212019_100000210202 [0,0,0,1,0,0|3,0,0]=4 6006 B11R1.28 CCNCCC1CCCCO1 2230a_100015183643_100000210202 [0,0,0,1,0,0|2,0,1]=4 6007 B11R1.28 CCNCCC1CCCCO1 34a_100015183643_100000210202 [0,0,0,1,0,0|2,0,1]=4 6008 B11R1.28 CCNCCC1OCCCO1 2230a_100015525214_100000764188 [0,0,0,1,0,0|1,0,2]=4 6009 B11R1.28 CCOCCC1OCCCO1 34a_100121572206_100000764188 [0,0,0,1,0,0|1,0,2]=4 6010 B11R1.28 CCSCCC1OCCCO1 62a_100000210202_100000764188 [0,0,0,1,0,0|1,0,2]=4 6011 B11R1.28 CCSCCC1OCCCO1 62a_100000764188_100000210202 [0,0,0,1,0,0|1,0,2]=4 6012 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,0,0,1,0,0|1,0,2]=4 6013 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,0,0,1,0,0|1,0,2]=4 6014 B11R1.29 C#CCNC(=O)C1CCCC1 11a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 6015 B11R1.29 C#CCNC(=O)C1CCCC1 1626a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 6016 B11R1.29 C#CCNC(=O)C1CCCC1 240690a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 6017 B11R1.29 C#CCNC(=O)C1CCCC1 527a_100000212058_100000210718 [0,0,0,1,0,0|1,0,2]=4 6018 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,0,0,1,0,0|1,0,2]=4 6019 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,0,0,1,0,0|1,0,2]=4 6020 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,0,0,1,0,0|1,0,2]=4 6021 B11R1.29 C=CCNC(=O)C1CCCC1 1626a_100020586998_100000210718 [0,0,0,1,0,0|1,0,2]=4 6022 B11R1.29 C=CCNC(=O)C1CCCC1 240690a_100020586998_100000210718 [0,0,0,1,0,0|1,0,2]=4 6023 B11R1.29 C=CCNC(=O)C1CCCC1 527a_100020586998_100000210718 [0,0,0,1,0,0|1,0,2]=4 6024 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [0,0,0,1,0,0|1,0,2]=4 6025 B11R1.29 CC(OCCF)C1CCCC1 34a_100011216366_100011217306 [0,0,0,1,0,0|2,0,1]=4 6026 B11R1.29 CC(OCCF)C1CCCC1 7a_100011216366_100011217306 [0,0,0,1,0,0|2,0,1]=4 6027 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,0,0,1,0,0|2,0,1]=4 6028 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,0,0,1,0,0|2,0,1]=4 6029 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,0,0,1,0,0|1,0,2]=4 6030 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,0,0,1,0,0|1,0,2]=4 6031 B11R1.29 CC=NNC(=O)C1CCCC1 4a_100000189808_200000210099 [0,0,0,1,0,0|2,0,1]=4 6032 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [0,0,0,1,0,0|1,0,1]=3 6033 B11R1.29 CCC#CC(=O)C1CCOC1 1458a_100011827653_100000690089 [0,0,0,1,0,0|2,0,1]=4 6034 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,0,0,1,0,0|1,0,1]=3 6035 B11R1.29 CCC=CC(=O)C1CCOC1 1458a_100000212282_100000690089 [0,0,0,1,0,0|2,0,1]=4 6036 B11R1.29 CCC=CC(=O)N1CCCC1 240690a_100000188435_100000212282 [0,0,0,1,0,0|2,0,1]=4 6037 B11R1.29 CCCCC(=O)C1=CCCC1 1458a_100000038896_100000210211 [0,0,0,1,0,0|1,0,2]=4 6038 B11R1.29 CCCCC(=O)C1CC=CC1 1458a_100000759439_100000210211 [0,0,0,1,0,0|1,0,2]=4 6039 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,0,0,1,0,0|1,0,0]=2 6040 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,0,0,1,0,0|1,0,0]=2 6041 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,0,0,1,0,0|2,0,0]=3 6042 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [0,0,0,1,0,0|2,0,0]=3 6043 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [0,0,0,1,0,0|2,0,0]=3 6044 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,0,0,1,0,0|2,0,0]=3 6045 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,0,0,1,0,0|2,0,0]=3 6046 B11R1.29 CCCCC(=O)N1CCSC1 11a_100011215254_100000210183 [0,0,0,1,0,0|3,0,0]=4 6047 B11R1.29 CCCCC(=O)N1CCSC1 240690a_100011215254_100000210183 [0,0,0,1,0,0|3,0,0]=4 6048 B11R1.29 CCCCC(=O)N1CCSC1 527a_100011215254_100000210183 [0,0,0,1,0,0|3,0,0]=4 6049 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,0,0,1,0,0|2,0,0]=3 6050 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207505_100000210211 [0,0,0,1,0,0|3,0,0]=4 6051 B11R1.29 CCCCN(C)C1CCCC1 2230a_100000207549_100000179811 [0,0,0,1,0,0|3,0,0]=4 6052 B11R1.29 CCCCN(C)C1CCCC1 2230a_100015187791_200000210301 [0,0,0,1,0,0|3,0,0]=4 6053 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207505_100000210211 [0,0,0,1,0,0|3,0,0]=4 6054 B11R1.29 CCCCN(C)C1CCCC1 269982a_100000207549_100000179811 [0,0,0,1,0,0|3,0,0]=4 6055 B11R1.29 CCCCN(C)C1CCCC1 269982a_100015187791_200000210301 [0,0,0,1,0,0|3,0,0]=4 6056 B11R1.29 CCCCN(C)C1CCCC1 270004a_100000207549_100000210133 [0,0,0,1,0,0|3,0,0]=4 6057 B11R1.29 CCCCN(C)C1CCCC1 34a_100000207505_100000210210 [0,0,0,1,0,0|3,0,0]=4 6058 B11R1.29 CCCCN(C)C1CCCC1 34a_100015187791_200000210301 [0,0,0,1,0,0|3,0,0]=4 6059 B11R1.29 CCCCN([13CH3])C1CCCC1 2230a_100015187791_200025704644 [0,0,0,1,0,0|3,0,0]=4 6060 B11R1.29 CCCCN([13CH3])C1CCCC1 269982a_100015187791_200025704644 [0,0,0,1,0,0|3,0,0]=4 6061 B11R1.29 CCCCN([13CH3])C1CCCC1 34a_100015187791_200025704644 [0,0,0,1,0,0|3,0,0]=4 6062 B11R1.29 CCCNC(=O)C1=CCCC1 11a_100020643023_100000038896 [0,0,0,1,0,0|1,0,2]=4 6063 B11R1.29 CCCNC(=O)C1=CCCC1 1626a_100020643023_100000038896 [0,0,0,1,0,0|1,0,2]=4 6064 B11R1.29 CCCNC(=O)C1=CCCC1 240690a_100020643023_100000038896 [0,0,0,1,0,0|1,0,2]=4 6065 B11R1.29 CCCNC(=O)C1CC=CC1 11a_100020643023_100000759439 [0,0,0,1,0,0|1,0,2]=4 6066 B11R1.29 CCCNC(=O)C1CC=CC1 1626a_100020643023_100000759439 [0,0,0,1,0,0|1,0,2]=4 6067 B11R1.29 CCCNC(=O)C1CC=CC1 240690a_100020643023_100000759439 [0,0,0,1,0,0|1,0,2]=4 6068 B11R1.29 CCCNC(=O)C1CC=CC1 527a_100020643023_100000759439 [0,0,0,1,0,0|1,0,2]=4 6069 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,0,0,1,0,0|1,0,0]=2 6070 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,0,0,1,0,0|1,0,0]=2 6071 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,0,0,1,0,0|1,0,0]=2 6072 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,0,0,1,0,0|1,0,0]=2 6073 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,0,0,1,0,0|2,0,0]=3 6074 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,0,0,1,0,0|2,0,0]=3 6075 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,0,0,1,0,0|2,0,0]=3 6076 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,0,0,1,0,0|2,0,0]=3 6077 B11R1.29 CCCNC(=O)C1CCOC1 11a_100020643023_100011219752 [0,0,0,1,0,0|2,0,0]=3 6078 B11R1.29 CCCNC(=O)C1CCOC1 1626a_100020643023_100011219752 [0,0,0,1,0,0|2,0,0]=3 6079 B11R1.29 CCCNC(=O)C1CCOC1 240690a_100020643023_100011219752 [0,0,0,1,0,0|2,0,0]=3 6080 B11R1.29 CCCNC(=O)C1CCOC1 527a_100020643023_100011219752 [0,0,0,1,0,0|2,0,0]=3 6081 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,0,0,1,0,0|2,0,0]=3 6082 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,0,0,1,0,0|2,0,0]=3 6083 B11R1.29 CCCNC(=O)N1CCSC1 2708a_100020643023_100011215254 [0,0,0,1,0,0|3,0,0]=4 6084 B11R1.29 CCCNC(=O)N1CCSC1 273464a_100020643023_100011215254 [0,0,0,1,0,0|3,0,0]=4 6085 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,0,0,1,0,0|2,0,0]=3 6086 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,0,0,1,0,0|2,0,0]=3 6087 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,0,0,1,0,0|2,0,0]=3 6088 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,0,0,1,0,0|2,0,0]=3 6089 B11R1.29 CCCNC(C)C1CCCC1 2230a_100015185923_100000210303 [0,0,0,1,0,0|2,0,1]=4 6090 B11R1.29 CCCNC(C)C1CCCC1 269862a_100020643023_100000749594 [0,0,0,1,0,0|2,0,1]=4 6091 B11R1.29 CCCNC(C)C1CCCC1 270004a_100020643023_100000749594 [0,0,0,1,0,0|2,0,1]=4 6092 B11R1.29 CCCNC(C)C1CCCC1 34a_100015185923_100000210303 [0,0,0,1,0,0|2,0,1]=4 6093 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [0,0,0,1,0,0|1,0,1]=3 6094 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [0,0,0,1,0,0|1,0,1]=3 6095 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,0,0,1,0,0|3,0,0]=4 6096 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,0,0,1,0,0|3,0,0]=4 6097 B11R1.29 CCNN=C(C)C1CCCC1 4a_100000756455_100000749594 [0,0,0,1,0,0|3,0,0]=4 6098 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [0,0,0,1,0,0|2,0,0]=3 6099 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,0,0,1,0,0|3,0,0]=4 6100 B11R1.29 CCNNC(=O)C1CCOC1 22a_100000756455_100011219752 [0,0,0,1,0,0|3,0,0]=4 6101 B11R1.29 CCNNC(=O)[C@@H]1CCCO1 22a_100000756455_100000686382 [0,0,0,1,0,0|3,0,0]=4 6102 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,0,0,1,0,0|2,0,0]=3 6103 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,0,0,1,0,0|3,0,0]=4 6104 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,0,0,1,0,0|3,0,0]=4 6105 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,0,0,1,0,0|3,0,0]=4 6106 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,0,0,1,0,0|3,0,0]=4 6107 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,0,0,1,0,0|3,0,0]=4 6108 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,0,0,1,0,0|2,0,0]=3 6109 B11R1.29 CCSCC(=O)C1CCOC1 1458a_100000230394_100000690089 [0,0,0,1,0,0|3,0,0]=4 6110 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,0,0,1,0,0|3,0,0]=4 6111 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,0,0,1,0,0|3,0,0]=4 6112 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,0,0,1,0,0|3,0,0]=4 6113 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,0,0,1,0,0|3,0,0]=4 6114 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,0,0,1,0,0|3,0,0]=4 6115 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,0,0,1,0,0|3,0,0]=4 6116 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,0,0,1,0,0|3,0,0]=4 6117 B11R1.29 COC=CC(=O)C1CCCC1 1458a_100016268678_100000179811 [0,0,0,1,0,0|2,0,1]=4 6118 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,0,0,1,0,0|2,0,0]=3 6119 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,0,0,1,0,0|2,0,0]=3 6120 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,0,0,1,0,0|3,0,0]=4 6121 B11R1.29 COCCC(=O)C1CCOC1 1458a_100000749529_100000690089 [0,0,0,1,0,0|3,0,0]=4 6122 B11R1.29 COCCC(=O)C1CCOC1 1458a_100011219752_100000233755 [0,0,0,1,0,0|3,0,0]=4 6123 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,0,0,1,0,0|3,0,0]=4 6124 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,0,0,1,0,0|3,0,0]=4 6125 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,0,0,1,0,0|3,0,0]=4 6126 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,0,0,1,0,0|3,0,0]=4 6127 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,0,0,1,0,0|2,0,0]=3 6128 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,0,0,1,0,0|2,0,0]=3 6129 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,0,0,1,0,0|3,0,0]=4 6130 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100000174002_100000690089 [0,0,0,1,0,0|3,0,0]=4 6131 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100011219752_100000751147 [0,0,0,1,0,0|3,0,0]=4 6132 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,0,0,1,0,0|3,0,0]=4 6133 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,0,0,1,0,0|3,0,0]=4 6134 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,0,0,1,0,0|3,0,0]=4 6135 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,0,0,1,0,0|3,0,0]=4 6136 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,0,0,1,0,0|3,0,0]=4 6137 B11R1.29 CSCOC(C)C1CCCC1 34a_100011216366_100011218213 [0,0,0,1,0,0|2,0,1]=4 6138 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,0,0,1,0,0|2,0,1]=4 6139 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,0,0,1,0,0|2,0,1]=4 6140 B11R1.29 N#CCNC(=O)C1CCCC1 1626a_100000734998_100000210718 [0,0,0,1,0,0|2,0,1]=4 6141 B11R1.29 N#CCNC(=O)C1CCCC1 527a_100000734998_100000210718 [0,0,0,1,0,0|2,0,1]=4 6142 B11R1.29 O=C(C#CCO)C1CCCC1 1458a_100000049017_100000179811 [0,0,0,1,0,0|2,0,1]=4 6143 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,0,0,1,0,0|2,0,0]=3 6144 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,0,0,1,0,0|3,0,0]=4 6145 B11R1.29 O=C(CCCF)C1CCOC1 1458a_100011219752_100011934791 [0,0,0,1,0,0|3,0,0]=4 6146 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,0,0,1,0,0|3,0,0]=4 6147 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,0,0,1,0,0|2,0,0]=3 6148 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,0,0,1,0,0|3,0,0]=4 6149 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,0,0,1,0,0|3,0,0]=4 6150 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,0,0,1,0,0|3,0,0]=4 6151 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,0,0,1,0,0|2,0,0]=3 6152 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,0,0,1,0,0|2,0,0]=3 6153 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,0,0,1,0,0|2,0,0]=3 6154 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,0,0,1,0,0|2,0,0]=3 6155 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,0,0,1,0,0|3,0,0]=4 6156 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,0,0,1,0,0|3,0,0]=4 6157 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,0,0,1,0,0|3,0,0]=4 6158 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,0,0,1,0,0|3,0,0]=4 6159 B11R1.29 O=C(NCCF)C1CCOC1 11a_100000724931_100011219752 [0,0,0,1,0,0|3,0,0]=4 6160 B11R1.29 O=C(NCCF)C1CCOC1 1626a_100000724931_100011219752 [0,0,0,1,0,0|3,0,0]=4 6161 B11R1.29 O=C(NCCF)C1CCOC1 240690a_100000724931_100011219752 [0,0,0,1,0,0|3,0,0]=4 6162 B11R1.29 O=C(NCCF)C1CCOC1 527a_100000724931_100011219752 [0,0,0,1,0,0|3,0,0]=4 6163 B11R1.29 O=C(NCCF)N1CCCC1 273464a_100000724931_100000188435 [0,0,0,1,0,0|3,0,0]=4 6164 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 11a_100000724931_100000686382 [0,0,0,1,0,0|3,0,0]=4 6165 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 1626a_100000724931_100000686382 [0,0,0,1,0,0|3,0,0]=4 6166 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 240690a_100000724931_100000686382 [0,0,0,1,0,0|3,0,0]=4 6167 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 527a_100000724931_100000686382 [0,0,0,1,0,0|3,0,0]=4 6168 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,0,0,1,0,0|2,0,0]=3 6169 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,0,0,1,0,0|2,0,0]=3 6170 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,0,0,1,0,0|3,0,0]=4 6171 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,0,0,1,0,0|3,0,0]=4 6172 B11R1.29 O=C(NCCO)C1CCOC1 240690a_100000210304_100011219752 [0,0,0,1,0,0|3,0,0]=4 6173 B11R1.29 O=C(NCCO)C1CCOC1 527a_100000210304_100011219752 [0,0,0,1,0,0|3,0,0]=4 6174 B11R1.29 O=C(NCCO)N1CCCC1 273464a_100000210304_100000188435 [0,0,0,1,0,0|3,0,0]=4 6175 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,0,0,1,0,0|3,0,0]=4 6176 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,0,0,1,0,0|3,0,0]=4 6177 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,0,0,1,0,0|3,0,0]=4 6178 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,0,0,1,0,0|3,0,0]=4 6179 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,0|2,0,0]=3 6180 B11R1.110 COCN1CCCNC(=O)C1 2230a_100015190381_100000766300 [0,0,0,1,0,0|3,0,0]=4 6181 B11R1.110 CSCN1CCCNC(=O)C1 2230a_100015190381_100011218213 [0,0,0,1,0,0|3,0,0]=4 6182 B11R1.110 O=C1CN(CCCN1)CCF 2230a_100015190381_100011217306 [0,0,0,1,0,0|3,0,0]=4 6183 B11R1.110 O=C1CN(CCCN1)CCO 2230a_100015190381_100000211926 [0,0,0,1,0,0|3,0,0]=4 6184 B11R1.182 CCCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210303 [0,0,0,1,0,0|2,0,1]=4 6185 B11R1.182 CCCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000210303 [0,0,0,1,0,0|2,0,1]=4 6186 B11R1.182 CCCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210303 [0,0,0,1,0,0|2,0,1]=4 6187 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,0,0,1,0,0|2,0,1]=4 6188 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [0,0,0,1,0,0|3,0,0]=4 6189 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [0,0,0,1,0,0|3,0,0]=4 6190 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [0,0,0,1,0,0|3,0,0]=4 6191 B11R1.203 CCCNC1CCCCCC1 2230a_100000210984_100000210303 [0,0,0,1,0,0|2,0,1]=4 6192 B11R1.203 CCCNC1CCCCCC1 270004a_100020643023_100000210131 [0,0,0,1,0,0|2,0,1]=4 6193 B11R1.203 CCCNC1CCCCCC1 34a_100000210984_100000210303 [0,0,0,1,0,0|2,0,1]=4 6194 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,0,0,1,0,0|1,0,1]=3 6195 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,0,0,1,0,0|1,0,1]=3 6196 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,0,0,1,0,0|1,0,1]=3 6197 B11R1.203 CCCSC1CCCCCC1 62a_100000210303_100011217769 [0,0,0,1,0,0|1,1,1]=4 6198 B11R1.203 CCCSC1CCCCCC1 62a_100011217769_100000210303 [0,0,0,1,0,0|1,1,1]=4 6199 B11R1.203 CCNN=C1CCCCCC1 4a_100000756455_100000210131 [0,0,0,1,0,0|3,0,0]=4 6200 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,0,0,1,0,0|2,0,1]=4 6201 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,0,0,1,0,0|2,0,1]=4 6202 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,0,0,1,0,0|2,0,1]=4 6203 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,0,0,1,0,0|2,0,1]=4 6204 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,0,0,1,0,0|2,0,1]=4 6205 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,0,0,1,0,0|2,0,1]=4 6206 B11R1.210 CCCOC1CN(C1)CCC 269982a_200020626125_100000210303 [0,0,0,1,0,0|2,0,1]=4 6207 B11R1.210 CCCOC1CN(C1)CCC 34a_200020626125_100000210303 [0,0,0,1,0,0|2,0,1]=4 6208 B11R1.214 CCCNC1CCC(C1)CC 270004a_100020643023_100011218773 [0,0,0,1,0,0|2,0,1]=4 6209 B11R1.214 CCNN=C1CCC(C1)CC 4a_100000756455_100011218773 [0,0,0,1,0,0|3,0,0]=4 6210 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [0,0,0,1,0,0|1,0,2]=4 6211 B11R1.282 C#CCNC(=O)C1CC1CC 11a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 6212 B11R1.282 C#CCNC(=O)C1CC1CC 1626a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 6213 B11R1.282 C#CCNC(=O)C1CC1CC 240690a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 6214 B11R1.282 C#CCNC(=O)C1CC1CC 527a_100000212058_200011661523 [0,0,0,1,0,0|1,0,2]=4 6215 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [0,0,0,1,0,0|1,0,2]=4 6216 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,0,0,1,0,0|1,0,2]=4 6217 B11R1.282 C=CCNC(=O)C1CC1CC 1626a_100020586998_200011661523 [0,0,0,1,0,0|1,0,2]=4 6218 B11R1.282 C=CCNC(=O)C1CC1CC 240690a_100020586998_200011661523 [0,0,0,1,0,0|1,0,2]=4 6219 B11R1.282 C=CCNC(=O)C1CC1CC 527a_100020586998_200011661523 [0,0,0,1,0,0|1,0,2]=4 6220 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [0,0,0,1,0,0|1,0,2]=4 6221 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [0,0,0,1,0,0|1,0,2]=4 6222 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [0,0,0,1,0,0|2,0,1]=4 6223 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,0,0,1,0,0|2,0,0]=3 6224 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,0,0,1,0,0|2,0,0]=3 6225 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,0,0,1,0,0|2,0,0]=3 6226 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,0,0,1,0,0|2,0,0]=3 6227 B11R1.282 CCC1CC1C(=O)NCC#N 1626a_100000734998_200011661523 [0,0,0,1,0,0|2,0,1]=4 6228 B11R1.282 CCC1CC1C(=O)NCC#N 527a_100000734998_200011661523 [0,0,0,1,0,0|2,0,1]=4 6229 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,0,0,1,0,0|2,0,0]=3 6230 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,0,0,1,0,0|2,0,0]=3 6231 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,0,0,1,0,0|2,0,0]=3 6232 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,0,0,1,0,0|2,0,0]=3 6233 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,0,0,1,0,0|2,0,0]=3 6234 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,0,0,1,0,0|2,0,0]=3 6235 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,0,0,1,0,0|1,0,0]=2 6236 B11R1.282 CCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210211 [0,0,0,1,0,0|2,0,1]=4 6237 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,0,0,1,0,0|1,0,0]=2 6238 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,0,0,1,0,0|1,0,0]=2 6239 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,0,0,1,0,0|1,0,0]=2 6240 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,0,0,1,0,0|1,0,0]=2 6241 B11R1.282 CCCNC(=O)[C@@H]1C[C@H]1C#N 11a_100020643023_100015294237 [0,0,0,1,0,0|2,0,1]=4 6242 B11R1.282 CCCNC(=O)[C@@H]1C[C@H]1C#N 1626a_100020643023_100015294237 [0,0,0,1,0,0|2,0,1]=4 6243 B11R1.282 CCCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100020643023_100015294237 [0,0,0,1,0,0|2,0,1]=4 6244 B11R1.282 CCNNC(=O)C1CC1CC 22a_100000756455_200011661523 [0,0,0,1,0,0|2,0,0]=3 6245 B11R1.283 CCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210183 [0,0,0,1,0,0|3,0,0]=4 6246 B11R1.283 CCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210183 [0,0,0,1,0,0|3,0,0]=4 6247 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210183 [0,0,0,1,0,0|3,0,0]=4 6248 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210183 [0,0,0,1,0,0|3,0,0]=4 6249 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210183 [0,0,0,1,0,0|3,0,0]=4 6250 B11R1.283 CCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210183 [0,0,0,1,0,0|3,0,0]=4 6251 B11R1.283 CCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100020643023_100015190264 [0,0,0,1,0,0|3,0,0]=4 6252 B11R1.283 CCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100020643023 [0,0,0,1,0,0|3,0,0]=4 6253 B11R1.283 CCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100020643023_100015190264 [0,0,0,1,0,0|3,0,0]=4 6254 B11R1.283 CCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100020643023_100015190264 [0,0,0,1,0,0|3,0,0]=4 6255 B11R1.283 CCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100020643023_100025746932 [0,0,0,1,0,0|3,0,0]=4 6256 B11R1.283 CCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100020643023_100025746932 [0,0,0,1,0,0|3,0,0]=4 6257 B11R1.283 CCCNC(=O)N[C@@H]1C[C@H]1F 512a_100020643023_100025746932 [0,0,0,1,0,0|3,0,0]=4 6258 B11R1.283 CCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100020643023 [0,0,0,1,0,0|3,0,0]=4 6259 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [0,0,0,1,0,0|1,0,2]=4 6260 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [0,0,0,1,0,0|1,0,2]=4 6261 B11R1.284 C#CCNC(=O)CC1CCC1 11a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 6262 B11R1.284 C#CCNC(=O)CC1CCC1 1626a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 6263 B11R1.284 C#CCNC(=O)CC1CCC1 240690a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 6264 B11R1.284 C#CCNC(=O)CC1CCC1 527a_100000212058_100000763092 [0,0,0,1,0,0|1,0,2]=4 6265 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [0,0,0,1,0,0|1,0,2]=4 6266 B11R1.284 C=C(CN1CCC1)OCOC 269982a_100000754969_100000042856 [0,0,0,1,0,0|3,0,0]=4 6267 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [0,0,0,1,0,0|1,0,2]=4 6268 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [0,0,0,1,0,0|1,0,2]=4 6269 B11R1.284 C=CCNC(=O)CC1CCC1 1626a_100020586998_100000763092 [0,0,0,1,0,0|1,0,2]=4 6270 B11R1.284 C=CCNC(=O)CC1CCC1 240690a_100020586998_100000763092 [0,0,0,1,0,0|1,0,2]=4 6271 B11R1.284 C=CCNC(=O)CC1CCC1 527a_100020586998_100000763092 [0,0,0,1,0,0|1,0,2]=4 6272 B11R1.284 C=CCOC(=O)CN1CCC1 269982a_100000754969_100000033060 [0,0,0,1,0,0|1,0,2]=4 6273 B11R1.284 CC#CCC(=O)CC1CCC1 1458a_100000763092_100000748600 [0,0,0,1,0,0|1,0,2]=4 6274 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [0,0,0,1,0,0|1,0,2]=4 6275 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [0,0,0,1,0,0|1,0,2]=4 6276 B11R1.284 CCC#CC(=O)CC1CCC1 1458a_100011827653_100000763275 [0,0,0,1,0,0|1,0,1]=3 6277 B11R1.284 CCC#CC(=O)CC1CCO1 1458a_100011827653_100000103362 [0,0,0,1,0,0|2,0,1]=4 6278 B11R1.284 CCC#CC(=O)CC1COC1 1458a_100011827653_100010264016 [0,0,0,1,0,0|2,0,1]=4 6279 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [0,0,0,1,0,0|1,0,1]=3 6280 B11R1.284 CCC=CC(=O)CC1CCO1 1458a_100000212282_100000103362 [0,0,0,1,0,0|2,0,1]=4 6281 B11R1.284 CCC=CC(=O)CC1COC1 1458a_100000212282_100010264016 [0,0,0,1,0,0|2,0,1]=4 6282 B11R1.284 CCC=CC(=O)NC1CCC1 11a_100000749019_100000212282 [0,0,0,1,0,0|2,0,1]=4 6283 B11R1.284 CCC=CC(=O)NC1CCC1 1626a_100000749019_100000212282 [0,0,0,1,0,0|2,0,1]=4 6284 B11R1.284 CCC=CC(=O)NC1CCC1 240690a_100000749019_100000212282 [0,0,0,1,0,0|2,0,1]=4 6285 B11R1.284 CCCCC(=O)C=C1CCC1 1458a_100000686340_100000210211 [0,0,0,1,0,0|1,0,2]=4 6286 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,0,0,1,0,0|1,0,0]=2 6287 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,0,0,1,0,0|1,0,0]=2 6288 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,0,0,1,0,0|2,0,0]=3 6289 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [0,0,0,1,0,0|2,0,0]=3 6290 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [0,0,0,1,0,0|2,0,0]=3 6291 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [0,0,0,1,0,0|2,0,0]=3 6292 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [0,0,0,1,0,0|2,0,0]=3 6293 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [0,0,0,1,0,0|2,0,0]=3 6294 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [0,0,0,1,0,0|2,0,0]=3 6295 B11R1.284 CCCCC(=O)NC1COC1 11a_100016991112_100000210183 [0,0,0,1,0,0|3,0,0]=4 6296 B11R1.284 CCCCC(=O)NC1COC1 1626a_100016991112_100000210183 [0,0,0,1,0,0|3,0,0]=4 6297 B11R1.284 CCCCC(=O)NC1COC1 240690a_100016991112_100000210183 [0,0,0,1,0,0|3,0,0]=4 6298 B11R1.284 CCCCC(=O)NC1COC1 527a_100016991112_100000210183 [0,0,0,1,0,0|3,0,0]=4 6299 B11R1.284 CCCCC(=O)NC1CSC1 11a_100016994217_100000210183 [0,0,0,1,0,0|3,0,0]=4 6300 B11R1.284 CCCCC(=O)NC1CSC1 1626a_100016994217_100000210183 [0,0,0,1,0,0|3,0,0]=4 6301 B11R1.284 CCCCC(=O)NC1CSC1 240690a_100016994217_100000210183 [0,0,0,1,0,0|3,0,0]=4 6302 B11R1.284 CCCCC(=O)NC1CSC1 527a_100016994217_100000210183 [0,0,0,1,0,0|3,0,0]=4 6303 B11R1.284 CCCCN(C)CC1CCC1 2230a_100000207549_100000763275 [0,0,0,1,0,0|3,0,0]=4 6304 B11R1.284 CCCCN(C)CC1CCC1 2230a_200000750244_100000210211 [0,0,0,1,0,0|3,0,0]=4 6305 B11R1.284 CCCCN(C)CC1CCC1 269982a_100000207549_100000763275 [0,0,0,1,0,0|3,0,0]=4 6306 B11R1.284 CCCCN(C)CC1CCC1 269982a_200000750244_100000210211 [0,0,0,1,0,0|3,0,0]=4 6307 B11R1.284 CCCCN(C)CC1CCC1 34a_200000750244_100000210210 [0,0,0,1,0,0|3,0,0]=4 6308 B11R1.284 CCCNC(=O)C=C1CCC1 11a_100020643023_100000686340 [0,0,0,1,0,0|1,0,2]=4 6309 B11R1.284 CCCNC(=O)C=C1CCC1 240690a_100020643023_100000686340 [0,0,0,1,0,0|1,0,2]=4 6310 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,0,0,1,0,0|1,0,0]=2 6311 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,0,0,1,0,0|1,0,0]=2 6312 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,0,0,1,0,0|1,0,0]=2 6313 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,0,0,1,0,0|1,0,0]=2 6314 B11R1.284 CCCNC(=O)CC1COC1 11a_100020643023_100000687760 [0,0,0,1,0,0|2,0,0]=3 6315 B11R1.284 CCCNC(=O)CC1COC1 1626a_100020643023_100000687760 [0,0,0,1,0,0|2,0,0]=3 6316 B11R1.284 CCCNC(=O)CN1CCC1 269982a_100000754969_100000183358 [0,0,0,1,0,0|2,0,0]=3 6317 B11R1.284 CCCNC(=O)NC1CCC1 2708a_100020643023_100000749019 [0,0,0,1,0,0|2,0,0]=3 6318 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100000749019_100020643023 [0,0,0,1,0,0|2,0,0]=3 6319 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100020643023_100000749019 [0,0,0,1,0,0|2,0,0]=3 6320 B11R1.284 CCCNC(=O)NC1CCC1 512a_100000749019_100020643023 [0,0,0,1,0,0|2,0,0]=3 6321 B11R1.284 CCCNC(=O)NC1CCC1 512a_100020643023_100000749019 [0,0,0,1,0,0|2,0,0]=3 6322 B11R1.284 CCCNC(=O)NC1COC1 2708a_100016991112_100020643023 [0,0,0,1,0,0|3,0,0]=4 6323 B11R1.284 CCCNC(=O)NC1COC1 2708a_100020643023_100016991112 [0,0,0,1,0,0|3,0,0]=4 6324 B11R1.284 CCCNC(=O)NC1COC1 273464a_100016991112_100020643023 [0,0,0,1,0,0|3,0,0]=4 6325 B11R1.284 CCCNC(=O)NC1COC1 273464a_100020643023_100016991112 [0,0,0,1,0,0|3,0,0]=4 6326 B11R1.284 CCCNC(=O)NC1COC1 512a_100016991112_100020643023 [0,0,0,1,0,0|3,0,0]=4 6327 B11R1.284 CCCNC(=O)NC1COC1 512a_100020643023_100016991112 [0,0,0,1,0,0|3,0,0]=4 6328 B11R1.284 CCCNC(=O)NC1CSC1 2708a_100016994217_100020643023 [0,0,0,1,0,0|3,0,0]=4 6329 B11R1.284 CCCNC(=O)NC1CSC1 2708a_100020643023_100016994217 [0,0,0,1,0,0|3,0,0]=4 6330 B11R1.284 CCCNC(=O)NC1CSC1 273464a_100016994217_100020643023 [0,0,0,1,0,0|3,0,0]=4 6331 B11R1.284 CCCNC(=O)NC1CSC1 273464a_100020643023_100016994217 [0,0,0,1,0,0|3,0,0]=4 6332 B11R1.284 CCCNC(=O)NC1CSC1 512a_100016994217_100020643023 [0,0,0,1,0,0|3,0,0]=4 6333 B11R1.284 CCCNC(=O)NC1CSC1 512a_100020643023_100016994217 [0,0,0,1,0,0|3,0,0]=4 6334 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [0,0,0,1,0,0|1,0,0]=2 6335 B11R1.284 CCNNC(=O)CC1CCC1 22a_100000756455_100000763092 [0,0,0,1,0,0|2,0,0]=3 6336 B11R1.284 CCNNC(=O)CC1COC1 22a_100000756455_100000687760 [0,0,0,1,0,0|3,0,0]=4 6337 B11R1.284 CCNNC(=O)NC1CCC1 273464a_100000749019_100000756455 [0,0,0,1,0,0|3,0,0]=4 6338 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000749019_100000756455 [0,0,0,1,0,0|3,0,0]=4 6339 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000756455_100000749019 [0,0,0,1,0,0|3,0,0]=4 6340 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,0,0,1,0,0|2,0,0]=3 6341 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,0,0,1,0,0|3,0,0]=4 6342 B11R1.284 CCOCC(=O)CC1COC1 1458a_100000211967_100010264016 [0,0,0,1,0,0|3,0,0]=4 6343 B11R1.284 CCOCC(=O)NC1CCC1 11a_100000749019_100000211967 [0,0,0,1,0,0|3,0,0]=4 6344 B11R1.284 CCOCC(=O)NC1CCC1 1626a_100000749019_100000211967 [0,0,0,1,0,0|3,0,0]=4 6345 B11R1.284 CCOCC(=O)NC1CCC1 240690a_100000749019_100000211967 [0,0,0,1,0,0|3,0,0]=4 6346 B11R1.284 CCOCC(=O)NC1CCC1 527a_100000749019_100000211967 [0,0,0,1,0,0|3,0,0]=4 6347 B11R1.284 CCSCC(=O)CC1CCC1 1458a_100000230394_100000763275 [0,0,0,1,0,0|2,0,0]=3 6348 B11R1.284 CCSCC(=O)CC1CCO1 1458a_100000230394_100000103362 [0,0,0,1,0,0|3,0,0]=4 6349 B11R1.284 CCSCC(=O)CC1COC1 1458a_100000230394_100010264016 [0,0,0,1,0,0|3,0,0]=4 6350 B11R1.284 CCSCC(=O)NC1CCC1 11a_100000749019_100000230394 [0,0,0,1,0,0|3,0,0]=4 6351 B11R1.284 CCSCC(=O)NC1CCC1 1626a_100000749019_100000230394 [0,0,0,1,0,0|3,0,0]=4 6352 B11R1.284 CCSCC(=O)NC1CCC1 240690a_100000749019_100000230394 [0,0,0,1,0,0|3,0,0]=4 6353 B11R1.284 CCSCC(=O)NC1CCC1 527a_100000749019_100000230394 [0,0,0,1,0,0|3,0,0]=4 6354 B11R1.284 COC=CC(=O)CC1CCC1 1458a_100016268678_100000763275 [0,0,0,1,0,0|2,0,1]=4 6355 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [0,0,0,1,0,0|2,0,0]=3 6356 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [0,0,0,1,0,0|2,0,0]=3 6357 B11R1.284 COCCC(=O)CC1CCO1 1458a_100000749529_100000103362 [0,0,0,1,0,0|3,0,0]=4 6358 B11R1.284 COCCC(=O)CC1COC1 1458a_100000687760_100000233755 [0,0,0,1,0,0|3,0,0]=4 6359 B11R1.284 COCCC(=O)CC1COC1 1458a_100000749529_100010264016 [0,0,0,1,0,0|3,0,0]=4 6360 B11R1.284 COCCC(=O)NC1CCC1 11a_100000749019_100000749529 [0,0,0,1,0,0|3,0,0]=4 6361 B11R1.284 COCCC(=O)NC1CCC1 1626a_100000749019_100000749529 [0,0,0,1,0,0|3,0,0]=4 6362 B11R1.284 COCCC(=O)NC1CCC1 240690a_100000749019_100000749529 [0,0,0,1,0,0|3,0,0]=4 6363 B11R1.284 COCCC(=O)NC1CCC1 527a_100000749019_100000749529 [0,0,0,1,0,0|3,0,0]=4 6364 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [0,0,0,1,0,0|2,0,0]=3 6365 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [0,0,0,1,0,0|2,0,0]=3 6366 B11R1.284 CSCCC(=O)CC1CCO1 1458a_100000174002_100000103362 [0,0,0,1,0,0|3,0,0]=4 6367 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000174002_100010264016 [0,0,0,1,0,0|3,0,0]=4 6368 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000687760_100000751147 [0,0,0,1,0,0|3,0,0]=4 6369 B11R1.284 CSCCC(=O)NC1CCC1 11a_100000749019_100000174002 [0,0,0,1,0,0|3,0,0]=4 6370 B11R1.284 CSCCC(=O)NC1CCC1 1626a_100000749019_100000174002 [0,0,0,1,0,0|3,0,0]=4 6371 B11R1.284 CSCCC(=O)NC1CCC1 240690a_100000749019_100000174002 [0,0,0,1,0,0|3,0,0]=4 6372 B11R1.284 CSCCC(=O)NC1CCC1 527a_100000749019_100000174002 [0,0,0,1,0,0|3,0,0]=4 6373 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100000763092_100011215226 [0,0,0,1,0,0|2,0,1]=4 6374 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100011934036_100000763275 [0,0,0,1,0,0|2,0,1]=4 6375 B11R1.284 N#CCNC(=O)CC1CCC1 1626a_100000734998_100000763092 [0,0,0,1,0,0|2,0,1]=4 6376 B11R1.284 N#CCNC(=O)CC1CCC1 527a_100000734998_100000763092 [0,0,0,1,0,0|2,0,1]=4 6377 B11R1.284 O=C(C#CCO)CC1CCC1 1458a_100000049017_100000763275 [0,0,0,1,0,0|2,0,1]=4 6378 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [0,0,0,1,0,0|2,0,0]=3 6379 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [0,0,0,1,0,0|2,0,0]=3 6380 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [0,0,0,1,0,0|2,0,0]=3 6381 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [0,0,0,1,0,0|2,0,0]=3 6382 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,0,0,1,0,0|2,0,0]=3 6383 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,0,0,1,0,0|2,0,0]=3 6384 B11R1.284 O=C(CC1COC1)NCCF 11a_100000724931_100000687760 [0,0,0,1,0,0|3,0,0]=4 6385 B11R1.284 O=C(CC1COC1)NCCF 1626a_100000724931_100000687760 [0,0,0,1,0,0|3,0,0]=4 6386 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,0,0,1,0,0|2,0,0]=3 6387 B11R1.284 O=C(CCCF)CC1COC1 1458a_100000687760_100011934791 [0,0,0,1,0,0|3,0,0]=4 6388 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,0,0,1,0,0|2,0,0]=3 6389 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [0,0,0,1,0,0|3,0,0]=4 6390 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000724931_100000749019 [0,0,0,1,0,0|3,0,0]=4 6391 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000749019_100000724931 [0,0,0,1,0,0|3,0,0]=4 6392 B11R1.284 O=C(NCCF)NC1CCC1 512a_100000749019_100000724931 [0,0,0,1,0,0|3,0,0]=4 6393 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000210304_100000749019 [0,0,0,1,0,0|3,0,0]=4 6394 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000749019_100000210304 [0,0,0,1,0,0|3,0,0]=4 6395 B11R1.284 O=C(NCCO)NC1CCC1 512a_100000749019_100000210304 [0,0,0,1,0,0|3,0,0]=4 6396 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [0,0,0,1,0,0|1,0,2]=4 6397 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [0,0,0,1,0,0|1,0,2]=4 6398 B11R1.285 C#CCNC(=O)CCC1CC1 11a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 6399 B11R1.285 C#CCNC(=O)CCC1CC1 1626a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 6400 B11R1.285 C#CCNC(=O)CCC1CC1 240690a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 6401 B11R1.285 C#CCNC(=O)CCC1CC1 527a_100000212058_100000756386 [0,0,0,1,0,0|1,0,2]=4 6402 B11R1.285 C/C=C/CC(=O)CCC1CC1 1458a_100000756386_100102629194 [0,0,0,1,0,0|1,0,2]=4 6403 B11R1.285 C=C(CNC1CC1)OCOC 34a_100000212008_100000042856 [0,0,0,1,0,0|3,0,0]=4 6404 B11R1.285 C=C(CSC1CC1)OCOC 62a_100000042856_100000211595 [0,0,0,1,0,0|3,0,0]=4 6405 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [0,0,0,1,0,0|1,0,2]=4 6406 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [0,0,0,1,0,0|1,0,2]=4 6407 B11R1.285 C=CCNC(=O)CCC1CC1 1626a_100020586998_100000756386 [0,0,0,1,0,0|1,0,2]=4 6408 B11R1.285 C=CCNC(=O)CCC1CC1 240690a_100020586998_100000756386 [0,0,0,1,0,0|1,0,2]=4 6409 B11R1.285 C=CCNC(=O)CCC1CC1 527a_100020586998_100000756386 [0,0,0,1,0,0|1,0,2]=4 6410 B11R1.285 C=CCOC(=O)CNC1CC1 34a_100000212008_100000033060 [0,0,0,1,0,0|1,0,2]=4 6411 B11R1.285 C=CCOC(=O)CSC1CC1 62a_100000033060_100000211595 [0,0,0,1,0,0|1,0,2]=4 6412 B11R1.285 CC#CCC(=O)CCC1CC1 1458a_100000756386_100000748600 [0,0,0,1,0,0|1,0,2]=4 6413 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100000756386_100000070051 [0,0,0,1,0,0|1,0,2]=4 6414 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100121576822_100000694398 [0,0,0,1,0,0|1,0,2]=4 6415 B11R1.285 CCC#CC(=O)CCC1CC1 1458a_100011827653_100000694398 [0,0,0,1,0,0|1,0,1]=3 6416 B11R1.285 CCC#CC(=O)CCC1CO1 1458a_100011827653_100000732470 [0,0,0,1,0,0|2,0,1]=4 6417 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [0,0,0,1,0,0|1,0,1]=3 6418 B11R1.285 CCC=CC(=O)CCC1CO1 1458a_100000212282_100000732470 [0,0,0,1,0,0|2,0,1]=4 6419 B11R1.285 CCC=CC(=O)NCC1CC1 11a_100000735609_100000212282 [0,0,0,1,0,0|2,0,1]=4 6420 B11R1.285 CCC=CC(=O)NCC1CC1 1626a_100000735609_100000212282 [0,0,0,1,0,0|2,0,1]=4 6421 B11R1.285 CCC=CC(=O)NCC1CC1 240690a_100000735609_100000212282 [0,0,0,1,0,0|2,0,1]=4 6422 B11R1.285 CCCCC(=O)C=CC1CC1 1458a_100102529529_100000210211 [0,0,0,1,0,0|1,0,2]=4 6423 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,0,0,1,0,0|1,0,0]=2 6424 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,0,0,1,0,0|1,0,0]=2 6425 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,0,0,1,0,0|2,0,0]=3 6426 B11R1.285 CCCCC(=O)NCC1CC1 11a_100000735609_100000210183 [0,0,0,1,0,0|2,0,0]=3 6427 B11R1.285 CCCCC(=O)NCC1CC1 1626a_100000735609_100000210183 [0,0,0,1,0,0|2,0,0]=3 6428 B11R1.285 CCCCC(=O)NCC1CC1 240690a_100000735609_100000210183 [0,0,0,1,0,0|2,0,0]=3 6429 B11R1.285 CCCCC(=O)NCC1CC1 527a_100000735609_100000210183 [0,0,0,1,0,0|2,0,0]=3 6430 B11R1.285 CCCCC(=O)NNC1CC1 22a_100000701032_100000210183 [0,0,0,1,0,0|3,0,0]=4 6431 B11R1.285 CCCCN(C)CCC1CC1 2230a_100000207549_100000694398 [0,0,0,1,0,0|3,0,0]=4 6432 B11R1.285 CCCCN(C)CCC1CC1 269982a_100000207549_100000694398 [0,0,0,1,0,0|3,0,0]=4 6433 B11R1.285 CCCNC(=O)C=CC1CC1 11a_100020643023_100102529529 [0,0,0,1,0,0|1,0,2]=4 6434 B11R1.285 CCCNC(=O)C=CC1CC1 1626a_100020643023_100102529529 [0,0,0,1,0,0|1,0,2]=4 6435 B11R1.285 CCCNC(=O)C=CC1CC1 240690a_100020643023_100102529529 [0,0,0,1,0,0|1,0,2]=4 6436 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,0,0,1,0,0|1,0,0]=2 6437 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,0,0,1,0,0|1,0,0]=2 6438 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,0,0,1,0,0|1,0,0]=2 6439 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,0,0,1,0,0|1,0,0]=2 6440 B11R1.285 CCCNC(=O)CNC1CC1 34a_100000212008_100000183358 [0,0,0,1,0,0|2,0,0]=3 6441 B11R1.285 CCCNC(=O)CSC1CC1 62a_100000183358_100000211595 [0,0,0,1,0,0|2,0,0]=3 6442 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100000735609_100020643023 [0,0,0,1,0,0|2,0,0]=3 6443 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100020643023_100000735609 [0,0,0,1,0,0|2,0,0]=3 6444 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100000735609_100020643023 [0,0,0,1,0,0|2,0,0]=3 6445 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100020643023_100000735609 [0,0,0,1,0,0|2,0,0]=3 6446 B11R1.285 CCCNC(=O)NCC1CC1 512a_100000735609_100020643023 [0,0,0,1,0,0|2,0,0]=3 6447 B11R1.285 CCCNC(=O)NCC1CC1 512a_100020643023_100000735609 [0,0,0,1,0,0|2,0,0]=3 6448 B11R1.285 CCCNC(=O)NNC1CC1 273464a_100020643023_100000701032 [0,0,0,1,0,0|3,0,0]=4 6449 B11R1.285 CCCNC(=O)NNC1CC1 512a_100000701032_100020643023 [0,0,0,1,0,0|3,0,0]=4 6450 B11R1.285 CCCNC(=O)NNC1CC1 512a_100020643023_100000701032 [0,0,0,1,0,0|3,0,0]=4 6451 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [0,0,0,1,0,0|1,0,0]=2 6452 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [0,0,0,1,0,0|1,0,0]=2 6453 B11R1.285 CCCOC(C)CNC1CC1 34a_100015185124_100000211595 [0,0,0,1,0,0|2,0,1]=4 6454 B11R1.285 CCNNC(=O)CCC1CC1 22a_100000756455_100000756386 [0,0,0,1,0,0|2,0,0]=3 6455 B11R1.285 CCNNC(=O)NCC1CC1 273464a_100000735609_100000756455 [0,0,0,1,0,0|3,0,0]=4 6456 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000735609_100000756455 [0,0,0,1,0,0|3,0,0]=4 6457 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000756455_100000735609 [0,0,0,1,0,0|3,0,0]=4 6458 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,0,0,1,0,0|2,0,0]=3 6459 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,0,0,1,0,0|3,0,0]=4 6460 B11R1.285 CCOCC(=O)NCC1CC1 11a_100000735609_100000211967 [0,0,0,1,0,0|3,0,0]=4 6461 B11R1.285 CCOCC(=O)NCC1CC1 1626a_100000735609_100000211967 [0,0,0,1,0,0|3,0,0]=4 6462 B11R1.285 CCOCC(=O)NCC1CC1 240690a_100000735609_100000211967 [0,0,0,1,0,0|3,0,0]=4 6463 B11R1.285 CCOCC(=O)NCC1CC1 527a_100000735609_100000211967 [0,0,0,1,0,0|3,0,0]=4 6464 B11R1.285 CCSCC(=O)CCC1CC1 1458a_100000230394_100000694398 [0,0,0,1,0,0|2,0,0]=3 6465 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [0,0,0,1,0,0|3,0,0]=4 6466 B11R1.285 CCSCC(=O)NCC1CC1 11a_100000735609_100000230394 [0,0,0,1,0,0|3,0,0]=4 6467 B11R1.285 CCSCC(=O)NCC1CC1 1626a_100000735609_100000230394 [0,0,0,1,0,0|3,0,0]=4 6468 B11R1.285 CCSCC(=O)NCC1CC1 240690a_100000735609_100000230394 [0,0,0,1,0,0|3,0,0]=4 6469 B11R1.285 CCSCC(=O)NCC1CC1 527a_100000735609_100000230394 [0,0,0,1,0,0|3,0,0]=4 6470 B11R1.285 COC=CC(=O)CCC1CC1 1458a_100016268678_100000694398 [0,0,0,1,0,0|2,0,1]=4 6471 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [0,0,0,1,0,0|2,0,0]=3 6472 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [0,0,0,1,0,0|2,0,0]=3 6473 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [0,0,0,1,0,0|3,0,0]=4 6474 B11R1.285 COCCC(=O)NCC1CC1 11a_100000735609_100000749529 [0,0,0,1,0,0|3,0,0]=4 6475 B11R1.285 COCCC(=O)NCC1CC1 1626a_100000735609_100000749529 [0,0,0,1,0,0|3,0,0]=4 6476 B11R1.285 COCCC(=O)NCC1CC1 240690a_100000735609_100000749529 [0,0,0,1,0,0|3,0,0]=4 6477 B11R1.285 COCCC(=O)NCC1CC1 527a_100000735609_100000749529 [0,0,0,1,0,0|3,0,0]=4 6478 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [0,0,0,1,0,0|2,0,0]=3 6479 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [0,0,0,1,0,0|2,0,0]=3 6480 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [0,0,0,1,0,0|3,0,0]=4 6481 B11R1.285 CSCCC(=O)NCC1CC1 11a_100000735609_100000174002 [0,0,0,1,0,0|3,0,0]=4 6482 B11R1.285 CSCCC(=O)NCC1CC1 1626a_100000735609_100000174002 [0,0,0,1,0,0|3,0,0]=4 6483 B11R1.285 CSCCC(=O)NCC1CC1 240690a_100000735609_100000174002 [0,0,0,1,0,0|3,0,0]=4 6484 B11R1.285 CSCCC(=O)NCC1CC1 527a_100000735609_100000174002 [0,0,0,1,0,0|3,0,0]=4 6485 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100000756386_100011215226 [0,0,0,1,0,0|2,0,1]=4 6486 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100011934036_100000694398 [0,0,0,1,0,0|2,0,1]=4 6487 B11R1.285 N#CCNC(=O)CCC1CC1 1626a_100000734998_100000756386 [0,0,0,1,0,0|2,0,1]=4 6488 B11R1.285 N#CCNC(=O)CCC1CC1 527a_100000734998_100000756386 [0,0,0,1,0,0|2,0,1]=4 6489 B11R1.285 O=C(C#CCO)CCC1CC1 1458a_100000049017_100000694398 [0,0,0,1,0,0|2,0,1]=4 6490 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [0,0,0,1,0,0|2,0,0]=3 6491 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [0,0,0,1,0,0|2,0,0]=3 6492 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [0,0,0,1,0,0|2,0,0]=3 6493 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [0,0,0,1,0,0|2,0,0]=3 6494 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,0,0,1,0,0|2,0,0]=3 6495 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,0,0,1,0,0|2,0,0]=3 6496 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,0,0,1,0,0|2,0,0]=3 6497 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,0,0,1,0,0|2,0,0]=3 6498 B11R1.285 O=C(NCCF)NCC1CC1 2708a_100000735609_100000724931 [0,0,0,1,0,0|3,0,0]=4 6499 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000724931_100000735609 [0,0,0,1,0,0|3,0,0]=4 6500 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000735609_100000724931 [0,0,0,1,0,0|3,0,0]=4 6501 B11R1.285 O=C(NCCF)NCC1CC1 512a_100000735609_100000724931 [0,0,0,1,0,0|3,0,0]=4 6502 B11R1.285 O=C(NCCO)NCC1CC1 2708a_100000735609_100000210304 [0,0,0,1,0,0|3,0,0]=4 6503 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000210304_100000735609 [0,0,0,1,0,0|3,0,0]=4 6504 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000735609_100000210304 [0,0,0,1,0,0|3,0,0]=4 6505 B11R1.285 O=C(NCCO)NCC1CC1 512a_100000735609_100000210304 [0,0,0,1,0,0|3,0,0]=4 6506 B11R1.286 CC1CCN1C(=O)NCCF 273464a_100000724931_100000755817 [0,0,0,1,0,0|3,0,0]=4 6507 B11R1.286 CC1CCN1C(=O)NCCO 273464a_100000210304_100000755817 [0,0,0,1,0,0|3,0,0]=4 6508 B11R1.286 CCC=CC(=O)N1CCC1C 11a_100000755817_100000212282 [0,0,0,1,0,0|2,0,1]=4 6509 B11R1.286 CCC=CC(=O)N1CCC1C 240690a_100000755817_100000212282 [0,0,0,1,0,0|2,0,1]=4 6510 B11R1.286 CCCCC(=O)C1CCC1=O 1458a_100000210183_100009892977 [0,0,0,1,0,0|2,0,1]=4 6511 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [0,0,0,1,0,0|2,0,0]=3 6512 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [0,0,0,1,0,0|2,0,0]=3 6513 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [0,0,0,1,0,0|2,0,0]=3 6514 B11R1.286 CCCNC(=O)N1CCC1C 2708a_100020643023_100000755817 [0,0,0,1,0,0|2,0,0]=3 6515 B11R1.286 CCCNC(=O)N1CCC1C 273464a_100020643023_100000755817 [0,0,0,1,0,0|2,0,0]=3 6516 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [0,0,0,1,0,0|3,0,0]=4 6517 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [0,0,0,1,0,0|3,0,0]=4 6518 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [0,0,0,1,0,0|3,0,0]=4 6519 B11R1.286 CCSCC(=O)N1CCC1C 11a_100000755817_100000230394 [0,0,0,1,0,0|3,0,0]=4 6520 B11R1.286 CCSCC(=O)N1CCC1C 240690a_100000755817_100000230394 [0,0,0,1,0,0|3,0,0]=4 6521 B11R1.286 CCSCC(=O)N1CCC1C 527a_100000755817_100000230394 [0,0,0,1,0,0|3,0,0]=4 6522 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [0,0,0,1,0,0|3,0,0]=4 6523 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [0,0,0,1,0,0|3,0,0]=4 6524 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [0,0,0,1,0,0|3,0,0]=4 6525 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [0,0,0,1,0,0|3,0,0]=4 6526 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [0,0,0,1,0,0|3,0,0]=4 6527 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [0,0,0,1,0,0|3,0,0]=4 6528 B11R1.299 C#CCCCC(=O)C1CCC1 1458a_100000209988_100000731252 [0,0,0,1,0,0|1,0,2]=4 6529 B11R1.299 C#CCCCC(=O)C1CCC1 1458a_100000690238_100000749161 [0,0,0,1,0,0|1,0,2]=4 6530 B11R1.299 C#CCCCC(=O)N1CCC1 11a_100000754969_100000690238 [0,0,0,1,0,0|1,0,2]=4 6531 B11R1.299 C#CCCCC(=O)N1CCC1 240690a_100000754969_100000690238 [0,0,0,1,0,0|1,0,2]=4 6532 B11R1.299 C#CCCCC(=O)N1CCC1 527a_100000754969_100000690238 [0,0,0,1,0,0|1,0,2]=4 6533 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000209988_100000757094 [0,0,0,1,0,0|1,0,2]=4 6534 B11R1.299 C=CCCCC(=O)C1CCC1 1458a_100000766728_100000749161 [0,0,0,1,0,0|1,0,2]=4 6535 B11R1.299 C=CCCCC(=O)N1CCC1 11a_100000754969_100000766728 [0,0,0,1,0,0|1,0,2]=4 6536 B11R1.299 C=CCCCC(=O)N1CCC1 240690a_100000754969_100000766728 [0,0,0,1,0,0|1,0,2]=4 6537 B11R1.299 C=CCCCC(=O)N1CCC1 527a_100000754969_100000766728 [0,0,0,1,0,0|1,0,2]=4 6538 B11R1.299 CC/C=C/CC(=O)C1CCC1 1458a_100016274230_100000749161 [0,0,0,1,0,0|1,0,2]=4 6539 B11R1.299 CC/C=C/CC(=O)N1CCC1 11a_100000754969_100016274230 [0,0,0,1,0,0|1,0,2]=4 6540 B11R1.299 CC/C=C/CC(=O)N1CCC1 240690a_100000754969_100016274230 [0,0,0,1,0,0|1,0,2]=4 6541 B11R1.299 CC/C=C/CC(=O)N1CCC1 527a_100000754969_100016274230 [0,0,0,1,0,0|1,0,2]=4 6542 B11R1.299 CC/C=C\CC(=O)C1CCC1 1458a_100000209988_100103147603 [0,0,0,1,0,0|1,0,2]=4 6543 B11R1.299 CCC#CCC(=O)C1CCC1 1458a_100000209988_100009813939 [0,0,0,1,0,0|1,0,2]=4 6544 B11R1.299 CCCC#CC(=O)C1CCC1 1458a_200011218047_100000749161 [0,0,0,1,0,0|1,0,2]=4 6545 B11R1.299 CCCC#CC(=O)N1CCC1 240690a_100000754969_200011218047 [0,0,0,1,0,0|1,0,2]=4 6546 B11R1.299 CCCC=CC(=O)C1CCC1 1458a_100000212230_100000749161 [0,0,0,1,0,0|1,0,2]=4 6547 B11R1.299 CCCC=CC(=O)N1CCC1 11a_100000754969_100000212230 [0,0,0,1,0,0|1,0,2]=4 6548 B11R1.299 CCCC=CC(=O)N1CCC1 240690a_100000754969_100000212230 [0,0,0,1,0,0|1,0,2]=4 6549 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,0,0,1,0,0|1,0,0]=2 6550 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,0,0,1,0,0|1,0,0]=2 6551 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,0,0,1,0,0|2,0,0]=3 6552 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,0,0,1,0,0|2,0,0]=3 6553 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,0,0,1,0,0|2,0,0]=3 6554 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [0,0,0,1,0,0|1,0,0]=2 6555 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [0,0,0,1,0,0|1,0,0]=2 6556 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [0,0,0,1,0,0|1,0,0]=2 6557 B11R1.299 CCCCCC(C)N1CCC1 269982a_100000754969_200011218191 [0,0,0,1,0,0|2,0,1]=4 6558 B11R1.299 CCCCCN(C)C1CCC1 2230a_100000758072_100000210326 [0,0,0,1,0,0|3,0,0]=4 6559 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000223495_100000749161 [0,0,0,1,0,0|3,0,0]=4 6560 B11R1.299 CCCCCN(C)C1CCC1 269982a_100000758072_100000210215 [0,0,0,1,0,0|3,0,0]=4 6561 B11R1.299 CCCCCN(C)C1CCC1 270004a_100000223495_100000241760 [0,0,0,1,0,0|3,0,0]=4 6562 B11R1.299 CCCCCN(C)C1CCC1 34a_100000758072_100000718602 [0,0,0,1,0,0|3,0,0]=4 6563 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [0,0,0,1,0,0|2,0,0]=3 6564 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [0,0,0,1,0,0|2,0,0]=3 6565 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [0,0,0,1,0,0|2,0,0]=3 6566 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [0,0,0,1,0,0|2,0,0]=3 6567 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [0,0,0,1,0,0|3,0,0]=4 6568 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [0,0,0,1,0,0|3,0,0]=4 6569 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [0,0,0,1,0,0|3,0,0]=4 6570 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [0,0,0,1,0,0|3,0,0]=4 6571 B11R1.299 CCCCNC(=O)C1COC1 11a_100000102301_100000758290 [0,0,0,1,0,0|3,0,0]=4 6572 B11R1.299 CCCCNC(=O)C1COC1 1626a_100000102301_100000758290 [0,0,0,1,0,0|3,0,0]=4 6573 B11R1.299 CCCCNC(=O)C1COC1 240690a_100000102301_100000758290 [0,0,0,1,0,0|3,0,0]=4 6574 B11R1.299 CCCCNC(=O)C1COC1 527a_100000102301_100000758290 [0,0,0,1,0,0|3,0,0]=4 6575 B11R1.299 CCCCNC(=O)N1CCC1 2708a_100000102301_100000754969 [0,0,0,1,0,0|2,0,0]=3 6576 B11R1.299 CCCCNC(=O)N1CCC1 273464a_100000102301_100000754969 [0,0,0,1,0,0|2,0,0]=3 6577 B11R1.299 CCCNNC(=O)C1CCC1 22a_100000740057_100000209988 [0,0,0,1,0,0|3,0,0]=4 6578 B11R1.299 CCCOCC(=O)C1CCC1 1458a_100000745993_100000749161 [0,0,0,1,0,0|2,0,0]=3 6579 B11R1.299 CCCOCC(=O)C1CCC1 34a_100000210258_100000686122 [0,0,0,1,0,0|2,0,0]=3 6580 B11R1.299 CCCOCC(=O)C1COC1 1458a_100000745993_100000687716 [0,0,0,1,0,0|3,0,0]=4 6581 B11R1.299 CCCOCC(=O)N1CCC1 11a_100000754969_100000745993 [0,0,0,1,0,0|2,0,0]=3 6582 B11R1.299 CCCOCC(=O)N1CCC1 240690a_100000754969_100000745993 [0,0,0,1,0,0|2,0,0]=3 6583 B11R1.299 CCCOCC(=O)N1CCC1 34a_100000210258_100000185095 [0,0,0,1,0,0|2,0,0]=3 6584 B11R1.299 CCCOCC(=O)N1CCC1 527a_100000754969_100000745993 [0,0,0,1,0,0|2,0,0]=3 6585 B11R1.299 CCCSCC(=O)C1CCC1 1458a_100000217233_100000749161 [0,0,0,1,0,0|2,0,0]=3 6586 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000210303_100000686122 [0,0,0,1,0,0|2,0,0]=3 6587 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000686122_100000210303 [0,0,0,1,0,0|2,0,0]=3 6588 B11R1.299 CCCSCC(=O)C1COC1 1458a_100000217233_100000687716 [0,0,0,1,0,0|3,0,0]=4 6589 B11R1.299 CCCSCC(=O)N1CCC1 11a_100000754969_100000217233 [0,0,0,1,0,0|2,0,0]=3 6590 B11R1.299 CCCSCC(=O)N1CCC1 240690a_100000754969_100000217233 [0,0,0,1,0,0|2,0,0]=3 6591 B11R1.299 CCCSCC(=O)N1CCC1 527a_100000754969_100000217233 [0,0,0,1,0,0|2,0,0]=3 6592 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000185095_100000210303 [0,0,0,1,0,0|2,0,0]=3 6593 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000210303_100000185095 [0,0,0,1,0,0|2,0,0]=3 6594 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000209988_100011215890 [0,0,0,1,0,0|2,0,0]=3 6595 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000749530_100000749161 [0,0,0,1,0,0|2,0,0]=3 6596 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,0,0,1,0,0|3,0,0]=4 6597 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000749530_100000687716 [0,0,0,1,0,0|3,0,0]=4 6598 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000758290_100011215890 [0,0,0,1,0,0|3,0,0]=4 6599 B11R1.299 CCOCCC(=O)N1CCC1 11a_100000754969_100000749530 [0,0,0,1,0,0|2,0,0]=3 6600 B11R1.299 CCOCCC(=O)N1CCC1 240690a_100000754969_100000749530 [0,0,0,1,0,0|2,0,0]=3 6601 B11R1.299 CCOCCC(=O)N1CCC1 527a_100000754969_100000749530 [0,0,0,1,0,0|2,0,0]=3 6602 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000209988_100000757381 [0,0,0,1,0,0|2,0,0]=3 6603 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000230768_100000749161 [0,0,0,1,0,0|2,0,0]=3 6604 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,0,0,1,0,0|3,0,0]=4 6605 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000230768_100000687716 [0,0,0,1,0,0|3,0,0]=4 6606 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000758290_100000757381 [0,0,0,1,0,0|3,0,0]=4 6607 B11R1.299 CCSCCC(=O)N1CCC1 11a_100000754969_100000230768 [0,0,0,1,0,0|2,0,0]=3 6608 B11R1.299 CCSCCC(=O)N1CCC1 240690a_100000754969_100000230768 [0,0,0,1,0,0|2,0,0]=3 6609 B11R1.299 CCSCCC(=O)N1CCC1 527a_100000754969_100000230768 [0,0,0,1,0,0|2,0,0]=3 6610 B11R1.299 CNCCNC(=O)C1CCC1 2230a_100000723847_200000210301 [0,0,0,1,0,0|3,0,0]=4 6611 B11R1.299 CNCCNC(=O)C1CCC1 34a_100000723847_200000210301 [0,0,0,1,0,0|3,0,0]=4 6612 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000209988_100000740836 [0,0,0,1,0,0|2,0,0]=3 6613 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000741012_100000749161 [0,0,0,1,0,0|2,0,0]=3 6614 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,0,0,1,0,0|3,0,0]=4 6615 B11R1.299 COCCCC(=O)C1COC1 1458a_100000741012_100000687716 [0,0,0,1,0,0|3,0,0]=4 6616 B11R1.299 COCCCC(=O)C1COC1 1458a_100000758290_100000740836 [0,0,0,1,0,0|3,0,0]=4 6617 B11R1.299 COCCCC(=O)N1CCC1 11a_100000754969_100000741012 [0,0,0,1,0,0|2,0,0]=3 6618 B11R1.299 COCCCC(=O)N1CCC1 240690a_100000754969_100000741012 [0,0,0,1,0,0|2,0,0]=3 6619 B11R1.299 COCCCC(=O)N1CCC1 527a_100000754969_100000741012 [0,0,0,1,0,0|2,0,0]=3 6620 B11R1.299 COCCNC(=O)C1CCC1 1626a_100000209980_100000209988 [0,0,0,1,0,0|3,0,0]=4 6621 B11R1.299 COCCNC(=O)C1CCC1 240690a_100000209980_100000209988 [0,0,0,1,0,0|3,0,0]=4 6622 B11R1.299 COCCNC(=O)C1CCC1 527a_100000209980_100000209988 [0,0,0,1,0,0|3,0,0]=4 6623 B11R1.299 COCCNC(=O)N1CCC1 273464a_100000209980_100000754969 [0,0,0,1,0,0|3,0,0]=4 6624 B11R1.299 COCSCC(=O)C1CCC1 62a_100000686122_100000766300 [0,0,0,1,0,0|3,0,0]=4 6625 B11R1.299 COCSCC(=O)C1CCC1 62a_100000766300_100000686122 [0,0,0,1,0,0|3,0,0]=4 6626 B11R1.299 COCSCC(=O)N1CCC1 62a_100000185095_100000766300 [0,0,0,1,0,0|3,0,0]=4 6627 B11R1.299 COCSCC(=O)N1CCC1 62a_100000766300_100000185095 [0,0,0,1,0,0|3,0,0]=4 6628 B11R1.299 CSCCCC(=O)C1CCC1 1458a_100000173376_100000749161 [0,0,0,1,0,0|2,0,0]=3 6629 B11R1.299 CSCCCC(=O)C1COC1 1458a_100000173376_100000687716 [0,0,0,1,0,0|3,0,0]=4 6630 B11R1.299 CSCCCC(=O)N1CCC1 11a_100000754969_100000173376 [0,0,0,1,0,0|2,0,0]=3 6631 B11R1.299 CSCCCC(=O)N1CCC1 240690a_100000754969_100000173376 [0,0,0,1,0,0|2,0,0]=3 6632 B11R1.299 CSCCCC(=O)N1CCC1 527a_100000754969_100000173376 [0,0,0,1,0,0|2,0,0]=3 6633 B11R1.299 CSCCNC(=O)C1CCC1 11a_100020590264_100000209988 [0,0,0,1,0,0|3,0,0]=4 6634 B11R1.299 CSCCNC(=O)C1CCC1 1626a_100020590264_100000209988 [0,0,0,1,0,0|3,0,0]=4 6635 B11R1.299 CSCCNC(=O)C1CCC1 240690a_100020590264_100000209988 [0,0,0,1,0,0|3,0,0]=4 6636 B11R1.299 CSCCNC(=O)C1CCC1 527a_100020590264_100000209988 [0,0,0,1,0,0|3,0,0]=4 6637 B11R1.299 CSCCNC(=O)N1CCC1 2708a_100020590264_100000754969 [0,0,0,1,0,0|3,0,0]=4 6638 B11R1.299 CSCCNC(=O)N1CCC1 273464a_100020590264_100000754969 [0,0,0,1,0,0|3,0,0]=4 6639 B11R1.299 CSCSCC(=O)C1CCC1 62a_100000686122_100011218213 [0,0,0,1,0,0|3,0,0]=4 6640 B11R1.299 CSCSCC(=O)C1CCC1 62a_100011218213_100000686122 [0,0,0,1,0,0|3,0,0]=4 6641 B11R1.299 CSCSCC(=O)N1CCC1 62a_100000185095_100011218213 [0,0,0,1,0,0|3,0,0]=4 6642 B11R1.299 CSCSCC(=O)N1CCC1 62a_100011218213_100000185095 [0,0,0,1,0,0|3,0,0]=4 6643 B11R1.299 N#CCCCC(=O)C1CCC1 1458a_100000075515_100000749161 [0,0,0,1,0,0|2,0,1]=4 6644 B11R1.299 N#CCCCC(=O)C1CCC1 1458a_100000209988_100000211468 [0,0,0,1,0,0|2,0,1]=4 6645 B11R1.299 N#CCCCC(=O)N1CCC1 11a_100000754969_100000075515 [0,0,0,1,0,0|2,0,1]=4 6646 B11R1.299 N#CCCCC(=O)N1CCC1 240690a_100000754969_100000075515 [0,0,0,1,0,0|2,0,1]=4 6647 B11R1.299 N#CCCCC(=O)N1CCC1 527a_100000754969_100000075515 [0,0,0,1,0,0|2,0,1]=4 6648 B11R1.299 NCCOCC(=O)C1CCC1 34a_100000210304_100000686122 [0,0,0,1,0,0|3,0,0]=4 6649 B11R1.299 NCCOCC(=O)N1CCC1 34a_100000210304_100000185095 [0,0,0,1,0,0|3,0,0]=4 6650 B11R1.299 O=C(CCCCF)C1CCC1 1458a_100000209988_100000729493 [0,0,0,1,0,0|2,0,0]=3 6651 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,0,0,1,0,0|3,0,0]=4 6652 B11R1.299 O=C(CCCCF)C1COC1 1458a_100000758290_100000729493 [0,0,0,1,0,0|3,0,0]=4 6653 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000209988_100000210776 [0,0,0,1,0,0|2,0,0]=3 6654 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000695505_100000749161 [0,0,0,1,0,0|2,0,0]=3 6655 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,0,0,1,0,0|3,0,0]=4 6656 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000695505_100000687716 [0,0,0,1,0,0|3,0,0]=4 6657 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000758290_100000210776 [0,0,0,1,0,0|3,0,0]=4 6658 B11R1.299 O=C(CNCCF)C1CCC1 34a_100000724931_100000686122 [0,0,0,1,0,0|3,0,0]=4 6659 B11R1.299 O=C(CNCCF)N1CCC1 34a_100000724931_100000185095 [0,0,0,1,0,0|3,0,0]=4 6660 B11R1.299 O=C(CNCCO)C1CCC1 2230a_100016997473_100000686122 [0,0,0,1,0,0|3,0,0]=4 6661 B11R1.299 O=C(CNCCO)C1CCC1 34a_100016990907_100000686122 [0,0,0,1,0,0|3,0,0]=4 6662 B11R1.299 O=C(CNCCO)N1CCC1 2230a_100016997473_100000185095 [0,0,0,1,0,0|3,0,0]=4 6663 B11R1.299 O=C(CNCCO)N1CCC1 34a_100016990907_100000185095 [0,0,0,1,0,0|3,0,0]=4 6664 B11R1.299 O=C(COCCBr)C1CCC1 34a_100000211926_100000686122 [0,0,0,1,0,0|3,0,0]=4 6665 B11R1.299 O=C(COCCBr)N1CCC1 34a_100000211926_100000185095 [0,0,0,1,0,0|3,0,0]=4 6666 B11R1.299 O=C(COCCO)C1CCC1 1458a_100000708028_100000749161 [0,0,0,1,0,0|3,0,0]=4 6667 B11R1.299 O=C(COCCO)N1CCC1 240690a_100000754969_100000708028 [0,0,0,1,0,0|3,0,0]=4 6668 B11R1.299 O=C(CSCCF)C1CCC1 62a_100000686122_100011217306 [0,0,0,1,0,0|3,0,0]=4 6669 B11R1.299 O=C(CSCCF)C1CCC1 62a_100011217306_100000686122 [0,0,0,1,0,0|3,0,0]=4 6670 B11R1.299 O=C(CSCCF)N1CCC1 62a_100000185095_100011217306 [0,0,0,1,0,0|3,0,0]=4 6671 B11R1.299 O=C(CSCCF)N1CCC1 62a_100011217306_100000185095 [0,0,0,1,0,0|3,0,0]=4 6672 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000211926_100000686122 [0,0,0,1,0,0|3,0,0]=4 6673 B11R1.299 O=C(CSCCO)C1CCC1 62a_100000686122_100000211926 [0,0,0,1,0,0|3,0,0]=4 6674 B11R1.299 O=C(CSCCO)N1CCC1 62a_100000185095_100000211926 [0,0,0,1,0,0|3,0,0]=4 6675 B11R1.299 O=C(CSCCO)N1CCC1 62a_100000211926_100000185095 [0,0,0,1,0,0|3,0,0]=4 6676 B11R1.299 O=C(NCCCF)C1CCC1 11a_100015189416_100000209988 [0,0,0,1,0,0|3,0,0]=4 6677 B11R1.299 O=C(NCCCF)C1CCC1 1626a_100015189416_100000209988 [0,0,0,1,0,0|3,0,0]=4 6678 B11R1.299 O=C(NCCCF)C1CCC1 240690a_100015189416_100000209988 [0,0,0,1,0,0|3,0,0]=4 6679 B11R1.299 O=C(NCCCF)C1CCC1 527a_100015189416_100000209988 [0,0,0,1,0,0|3,0,0]=4 6680 B11R1.299 O=C(NCCCF)N1CCC1 2708a_100015189416_100000754969 [0,0,0,1,0,0|3,0,0]=4 6681 B11R1.299 O=C(NCCCF)N1CCC1 273464a_100015189416_100000754969 [0,0,0,1,0,0|3,0,0]=4 6682 B11R1.299 O=C(NCCCO)C1CCC1 240690a_100000182051_100000209988 [0,0,0,1,0,0|3,0,0]=4 6683 B11R1.299 O=C(NCCCO)C1CCC1 527a_100000182051_100000209988 [0,0,0,1,0,0|3,0,0]=4 6684 B11R1.299 O=C(NCCCO)N1CCC1 273464a_100000182051_100000754969 [0,0,0,1,0,0|3,0,0]=4 6685 B11R1.299 [13CH3]NCCNC(=O)C1CCC1 2230a_100000723847_200025704644 [0,0,0,1,0,0|3,0,0]=4 6686 B11R1.299 [13CH3]NCCNC(=O)C1CCC1 34a_100000723847_200025704644 [0,0,0,1,0,0|3,0,0]=4 6687 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000690238_100000742324 [0,0,0,1,0,0|1,0,2]=4 6688 B11R1.301 C#CCCCC(=O)CC1CC1 1458a_100000738066_100000731252 [0,0,0,1,0,0|1,0,2]=4 6689 B11R1.301 C#CCCCC(=O)NC1CC1 1626a_100000212008_100000690238 [0,0,0,1,0,0|1,0,2]=4 6690 B11R1.301 C#CCCCC(=O)NC1CC1 240690a_100000212008_100000690238 [0,0,0,1,0,0|1,0,2]=4 6691 B11R1.301 C#CCCCC(=O)NC1CC1 527a_100000212008_100000690238 [0,0,0,1,0,0|1,0,2]=4 6692 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000738066_100000757094 [0,0,0,1,0,0|1,0,2]=4 6693 B11R1.301 C=CCCCC(=O)CC1CC1 1458a_100000766728_100000742324 [0,0,0,1,0,0|1,0,2]=4 6694 B11R1.301 C=CCCCC(=O)NC1CC1 1626a_100000212008_100000766728 [0,0,0,1,0,0|1,0,2]=4 6695 B11R1.301 C=CCCCC(=O)NC1CC1 240690a_100000212008_100000766728 [0,0,0,1,0,0|1,0,2]=4 6696 B11R1.301 C=CCCCC(=O)NC1CC1 527a_100000212008_100000766728 [0,0,0,1,0,0|1,0,2]=4 6697 B11R1.301 CC/C=C/CC(=O)CC1CC1 1458a_100016274230_100000742324 [0,0,0,1,0,0|1,0,2]=4 6698 B11R1.301 CC/C=C/CC(=O)NC1CC1 1626a_100000212008_100016274230 [0,0,0,1,0,0|1,0,2]=4 6699 B11R1.301 CC/C=C/CC(=O)NC1CC1 240690a_100000212008_100016274230 [0,0,0,1,0,0|1,0,2]=4 6700 B11R1.301 CC/C=C/CC(=O)NC1CC1 527a_100000212008_100016274230 [0,0,0,1,0,0|1,0,2]=4 6701 B11R1.301 CC/C=C\CC(=O)CC1CC1 1458a_100000738066_100103147603 [0,0,0,1,0,0|1,0,2]=4 6702 B11R1.301 CCC#CCC(=O)CC1CC1 1458a_100000738066_100009813939 [0,0,0,1,0,0|1,0,2]=4 6703 B11R1.301 CCCC#CC(=O)CC1CC1 1458a_200011218047_100000742324 [0,0,0,1,0,0|1,0,2]=4 6704 B11R1.301 CCCC#CC(=O)NC1CC1 240690a_100000212008_200011218047 [0,0,0,1,0,0|1,0,2]=4 6705 B11R1.301 CCCC=CC(=O)CC1CC1 1458a_100000212230_100000742324 [0,0,0,1,0,0|1,0,2]=4 6706 B11R1.301 CCCC=CC(=O)NC1CC1 1626a_100000212008_100000212230 [0,0,0,1,0,0|1,0,2]=4 6707 B11R1.301 CCCC=CC(=O)NC1CC1 240690a_100000212008_100000212230 [0,0,0,1,0,0|1,0,2]=4 6708 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,0,0,1,0,0|1,0,0]=2 6709 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,0,0,1,0,0|1,0,0]=2 6710 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,0,0,1,0,0|2,0,0]=3 6711 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,0,0,1,0,0|2,0,0]=3 6712 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,0,0,1,0,0|2,0,0]=3 6713 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,0,0,1,0,0|1,0,0]=2 6714 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,0,0,1,0,0|1,0,0]=2 6715 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,0,0,1,0,0|1,0,0]=2 6716 B11R1.301 CCCCCC(C)NC1CC1 34a_100000212008_200011218191 [0,0,0,1,0,0|2,0,1]=4 6717 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [0,0,0,1,0,0|1,0,1]=3 6718 B11R1.301 CCCCCC(C)SC1CC1 62a_200011218191_100000211595 [0,0,0,1,0,0|1,1,1]=4 6719 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000223495_100000742324 [0,0,0,1,0,0|3,0,0]=4 6720 B11R1.301 CCCCCN(C)CC1CC1 2230a_100000741881_100000210326 [0,0,0,1,0,0|3,0,0]=4 6721 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000223495_100000756562 [0,0,0,1,0,0|3,0,0]=4 6722 B11R1.301 CCCCCN(C)CC1CC1 269982a_100000741881_100000210215 [0,0,0,1,0,0|3,0,0]=4 6723 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [0,0,0,1,0,0|2,0,0]=3 6724 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [0,0,0,1,0,0|2,0,0]=3 6725 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [0,0,0,1,0,0|2,0,0]=3 6726 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [0,0,0,1,0,0|2,0,0]=3 6727 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000102301_100000212008 [0,0,0,1,0,0|2,0,0]=3 6728 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 6729 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000102301_100000212008 [0,0,0,1,0,0|2,0,0]=3 6730 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 6731 B11R1.301 CCCCNC(=O)NC1CC1 512a_100000212008_100000102301 [0,0,0,1,0,0|2,0,0]=3 6732 B11R1.301 CCCNCC(=O)NC1CC1 2230a_100000702991_100000210303 [0,0,0,1,0,0|2,0,0]=3 6733 B11R1.301 CCCNNC(=O)CC1CC1 22a_100000740057_100000738066 [0,0,0,1,0,0|3,0,0]=4 6734 B11R1.301 CCCNNC(=O)NC1CC1 273464a_100000212008_100000740057 [0,0,0,1,0,0|3,0,0]=4 6735 B11R1.301 CCCNNC(=O)NC1CC1 512a_100000212008_100000740057 [0,0,0,1,0,0|3,0,0]=4 6736 B11R1.301 CCCOCC(=O)CC1CC1 1458a_100000745993_100000742324 [0,0,0,1,0,0|2,0,0]=3 6737 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,0,0,1,0,0|3,0,0]=4 6738 B11R1.301 CCCOCC(=O)CC1CS1 1458a_100000745993_100000031435 [0,0,0,1,0,0|3,0,0]=4 6739 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,0,0,1,0,0|3,0,0]=4 6740 B11R1.301 CCCOCC(=O)NC1CC1 1626a_100000212008_100000745993 [0,0,0,1,0,0|2,0,0]=3 6741 B11R1.301 CCCOCC(=O)NC1CC1 240690a_100000212008_100000745993 [0,0,0,1,0,0|2,0,0]=3 6742 B11R1.301 CCCOCC(=O)NC1CC1 34a_100000210258_100000182950 [0,0,0,1,0,0|2,0,0]=3 6743 B11R1.301 CCCOCC(=O)NC1CC1 527a_100000212008_100000745993 [0,0,0,1,0,0|2,0,0]=3 6744 B11R1.301 CCCSCC(=O)CC1CC1 1458a_100000217233_100000742324 [0,0,0,1,0,0|2,0,0]=3 6745 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,0,0,1,0,0|3,0,0]=4 6746 B11R1.301 CCCSCC(=O)CC1CS1 1458a_100000217233_100000031435 [0,0,0,1,0,0|3,0,0]=4 6747 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,0,0,1,0,0|3,0,0]=4 6748 B11R1.301 CCCSCC(=O)NC1CC1 1626a_100000212008_100000217233 [0,0,0,1,0,0|2,0,0]=3 6749 B11R1.301 CCCSCC(=O)NC1CC1 240690a_100000212008_100000217233 [0,0,0,1,0,0|2,0,0]=3 6750 B11R1.301 CCCSCC(=O)NC1CC1 527a_100000212008_100000217233 [0,0,0,1,0,0|2,0,0]=3 6751 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000182950_100000210303 [0,0,0,1,0,0|2,0,0]=3 6752 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000210303_100000182950 [0,0,0,1,0,0|2,0,0]=3 6753 B11R1.301 CCNCCC(=O)NC1CC1 2230a_100015525214_100000737409 [0,0,0,1,0,0|2,0,0]=3 6754 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000738066_100011215890 [0,0,0,1,0,0|2,0,0]=3 6755 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000749530_100000742324 [0,0,0,1,0,0|2,0,0]=3 6756 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,0,0,1,0,0|3,0,0]=4 6757 B11R1.301 CCOCCC(=O)CC1CS1 1458a_100000749530_100000031435 [0,0,0,1,0,0|3,0,0]=4 6758 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,0,0,1,0,0|3,0,0]=4 6759 B11R1.301 CCOCCC(=O)NC1CC1 1626a_100000212008_100000749530 [0,0,0,1,0,0|2,0,0]=3 6760 B11R1.301 CCOCCC(=O)NC1CC1 240690a_100000212008_100000749530 [0,0,0,1,0,0|2,0,0]=3 6761 B11R1.301 CCOCCC(=O)NC1CC1 34a_100121572206_100000737409 [0,0,0,1,0,0|2,0,0]=3 6762 B11R1.301 CCOCCC(=O)NC1CC1 527a_100000212008_100000749530 [0,0,0,1,0,0|2,0,0]=3 6763 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000230768_100000742324 [0,0,0,1,0,0|2,0,0]=3 6764 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000738066_100000757381 [0,0,0,1,0,0|2,0,0]=3 6765 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,0,0,1,0,0|3,0,0]=4 6766 B11R1.301 CCSCCC(=O)CC1CS1 1458a_100000230768_100000031435 [0,0,0,1,0,0|3,0,0]=4 6767 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,0,0,1,0,0|3,0,0]=4 6768 B11R1.301 CCSCCC(=O)NC1CC1 1626a_100000212008_100000230768 [0,0,0,1,0,0|2,0,0]=3 6769 B11R1.301 CCSCCC(=O)NC1CC1 240690a_100000212008_100000230768 [0,0,0,1,0,0|2,0,0]=3 6770 B11R1.301 CCSCCC(=O)NC1CC1 527a_100000212008_100000230768 [0,0,0,1,0,0|2,0,0]=3 6771 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000210202_100000737409 [0,0,0,1,0,0|2,0,0]=3 6772 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000737409_100000210202 [0,0,0,1,0,0|2,0,0]=3 6773 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000738066_100000740836 [0,0,0,1,0,0|2,0,0]=3 6774 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000741012_100000742324 [0,0,0,1,0,0|2,0,0]=3 6775 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,0,0,1,0,0|3,0,0]=4 6776 B11R1.301 COCCCC(=O)CC1CS1 1458a_100000741012_100000031435 [0,0,0,1,0,0|3,0,0]=4 6777 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,0,0,1,0,0|3,0,0]=4 6778 B11R1.301 COCCCC(=O)NC1CC1 1626a_100000212008_100000741012 [0,0,0,1,0,0|2,0,0]=3 6779 B11R1.301 COCCCC(=O)NC1CC1 240690a_100000212008_100000741012 [0,0,0,1,0,0|2,0,0]=3 6780 B11R1.301 COCCCC(=O)NC1CC1 527a_100000212008_100000741012 [0,0,0,1,0,0|2,0,0]=3 6781 B11R1.301 COCCCC(C)OC1CC1 34a_200011539412_100000211595 [0,0,0,1,0,0|2,0,1]=4 6782 B11R1.301 COCCNC(=O)CC1CC1 1626a_100000209980_100000738066 [0,0,0,1,0,0|3,0,0]=4 6783 B11R1.301 COCCNC(=O)CC1CC1 240690a_100000209980_100000738066 [0,0,0,1,0,0|3,0,0]=4 6784 B11R1.301 COCCNC(=O)CC1CC1 527a_100000209980_100000738066 [0,0,0,1,0,0|3,0,0]=4 6785 B11R1.301 COCCNC(=O)NC1CC1 2708a_100000212008_100000209980 [0,0,0,1,0,0|3,0,0]=4 6786 B11R1.301 COCCNC(=O)NC1CC1 273464a_100000209980_100000212008 [0,0,0,1,0,0|3,0,0]=4 6787 B11R1.301 COCCNC(=O)NC1CC1 273464a_100000212008_100000209980 [0,0,0,1,0,0|3,0,0]=4 6788 B11R1.301 COCNCC(=O)NC1CC1 2230a_100000702991_100000766300 [0,0,0,1,0,0|3,0,0]=4 6789 B11R1.301 COCSCC(=O)NC1CC1 62a_100000182950_100000766300 [0,0,0,1,0,0|3,0,0]=4 6790 B11R1.301 COCSCC(=O)NC1CC1 62a_100000766300_100000182950 [0,0,0,1,0,0|3,0,0]=4 6791 B11R1.301 CSCCCC(=O)CC1CC1 1458a_100000173376_100000742324 [0,0,0,1,0,0|2,0,0]=3 6792 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,0,0,1,0,0|3,0,0]=4 6793 B11R1.301 CSCCCC(=O)CC1CS1 1458a_100000173376_100000031435 [0,0,0,1,0,0|3,0,0]=4 6794 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,0,0,1,0,0|3,0,0]=4 6795 B11R1.301 CSCCCC(=O)NC1CC1 1626a_100000212008_100000173376 [0,0,0,1,0,0|2,0,0]=3 6796 B11R1.301 CSCCCC(=O)NC1CC1 240690a_100000212008_100000173376 [0,0,0,1,0,0|2,0,0]=3 6797 B11R1.301 CSCCCC(=O)NC1CC1 527a_100000212008_100000173376 [0,0,0,1,0,0|2,0,0]=3 6798 B11R1.301 CSCCNC(=O)CC1CC1 11a_100020590264_100000738066 [0,0,0,1,0,0|3,0,0]=4 6799 B11R1.301 CSCCNC(=O)CC1CC1 1626a_100020590264_100000738066 [0,0,0,1,0,0|3,0,0]=4 6800 B11R1.301 CSCCNC(=O)CC1CC1 240690a_100020590264_100000738066 [0,0,0,1,0,0|3,0,0]=4 6801 B11R1.301 CSCCNC(=O)CC1CC1 527a_100020590264_100000738066 [0,0,0,1,0,0|3,0,0]=4 6802 B11R1.301 CSCCNC(=O)NC1CC1 2708a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 6803 B11R1.301 CSCCNC(=O)NC1CC1 2708a_100020590264_100000212008 [0,0,0,1,0,0|3,0,0]=4 6804 B11R1.301 CSCCNC(=O)NC1CC1 273464a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 6805 B11R1.301 CSCCNC(=O)NC1CC1 273464a_100020590264_100000212008 [0,0,0,1,0,0|3,0,0]=4 6806 B11R1.301 CSCCNC(=O)NC1CC1 512a_100000212008_100020590264 [0,0,0,1,0,0|3,0,0]=4 6807 B11R1.301 CSCNCC(=O)NC1CC1 2230a_100000702991_100011218213 [0,0,0,1,0,0|3,0,0]=4 6808 B11R1.301 CSCSCC(=O)NC1CC1 62a_100000182950_100011218213 [0,0,0,1,0,0|3,0,0]=4 6809 B11R1.301 CSCSCC(=O)NC1CC1 62a_100011218213_100000182950 [0,0,0,1,0,0|3,0,0]=4 6810 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000075515_100000742324 [0,0,0,1,0,0|2,0,1]=4 6811 B11R1.301 N#CCCCC(=O)CC1CC1 1458a_100000738066_100000211468 [0,0,0,1,0,0|2,0,1]=4 6812 B11R1.301 N#CCCCC(=O)NC1CC1 1626a_100000212008_100000075515 [0,0,0,1,0,0|2,0,1]=4 6813 B11R1.301 N#CCCCC(=O)NC1CC1 240690a_100000212008_100000075515 [0,0,0,1,0,0|2,0,1]=4 6814 B11R1.301 N#CCCCC(=O)NC1CC1 527a_100000212008_100000075515 [0,0,0,1,0,0|2,0,1]=4 6815 B11R1.301 NCCOCC(=O)NC1CC1 34a_100000210304_100000182950 [0,0,0,1,0,0|3,0,0]=4 6816 B11R1.301 O=C(CC1CC1)NCCCF 11a_100015189416_100000738066 [0,0,0,1,0,0|3,0,0]=4 6817 B11R1.301 O=C(CC1CC1)NCCCF 1626a_100015189416_100000738066 [0,0,0,1,0,0|3,0,0]=4 6818 B11R1.301 O=C(CC1CC1)NCCCF 240690a_100015189416_100000738066 [0,0,0,1,0,0|3,0,0]=4 6819 B11R1.301 O=C(CC1CC1)NCCCF 527a_100015189416_100000738066 [0,0,0,1,0,0|3,0,0]=4 6820 B11R1.301 O=C(CC1CC1)NCCCO 240690a_100000182051_100000738066 [0,0,0,1,0,0|3,0,0]=4 6821 B11R1.301 O=C(CC1CC1)NCCCO 527a_100000182051_100000738066 [0,0,0,1,0,0|3,0,0]=4 6822 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [0,0,0,1,0,0|2,0,0]=3 6823 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [0,0,0,1,0,0|2,0,0]=3 6824 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [0,0,0,1,0,0|2,0,0]=3 6825 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,0,0,1,0,0|3,0,0]=4 6826 B11R1.301 O=C(CCCCO)CC1CS1 1458a_100000695505_100000031435 [0,0,0,1,0,0|3,0,0]=4 6827 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,0,0,1,0,0|3,0,0]=4 6828 B11R1.301 O=C(CCCCO)NC1CC1 1626a_100000212008_100000695505 [0,0,0,1,0,0|2,0,0]=3 6829 B11R1.301 O=C(CCSCF)NC1CC1 62a_100000737409_100015361967 [0,0,0,1,0,0|3,0,0]=4 6830 B11R1.301 O=C(CCSCF)NC1CC1 62a_100015361967_100000737409 [0,0,0,1,0,0|3,0,0]=4 6831 B11R1.301 O=C(CNCCF)NC1CC1 2230a_100000702991_100011217306 [0,0,0,1,0,0|3,0,0]=4 6832 B11R1.301 O=C(CNCCF)NC1CC1 34a_100000724931_100000182950 [0,0,0,1,0,0|3,0,0]=4 6833 B11R1.301 O=C(CNCCO)NC1CC1 2230a_100000702991_100000211926 [0,0,0,1,0,0|3,0,0]=4 6834 B11R1.301 O=C(CNCCO)NC1CC1 2230a_100016997473_100000182950 [0,0,0,1,0,0|3,0,0]=4 6835 B11R1.301 O=C(CNCCO)NC1CC1 34a_100016990907_100000182950 [0,0,0,1,0,0|3,0,0]=4 6836 B11R1.301 O=C(COCCBr)NC1CC1 34a_100000211926_100000182950 [0,0,0,1,0,0|3,0,0]=4 6837 B11R1.301 O=C(COCCO)CC1CC1 1458a_100000708028_100000742324 [0,0,0,1,0,0|3,0,0]=4 6838 B11R1.301 O=C(COCCO)NC1CC1 1626a_100000212008_100000708028 [0,0,0,1,0,0|3,0,0]=4 6839 B11R1.301 O=C(COCCO)NC1CC1 240690a_100000212008_100000708028 [0,0,0,1,0,0|3,0,0]=4 6840 B11R1.301 O=C(CSCCF)NC1CC1 62a_100000182950_100011217306 [0,0,0,1,0,0|3,0,0]=4 6841 B11R1.301 O=C(CSCCF)NC1CC1 62a_100011217306_100000182950 [0,0,0,1,0,0|3,0,0]=4 6842 B11R1.301 O=C(CSCCO)NC1CC1 62a_100000182950_100000211926 [0,0,0,1,0,0|3,0,0]=4 6843 B11R1.301 O=C(CSCCO)NC1CC1 62a_100000211926_100000182950 [0,0,0,1,0,0|3,0,0]=4 6844 B11R1.301 O=C(NCCCF)NC1CC1 2708a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 6845 B11R1.301 O=C(NCCCF)NC1CC1 2708a_100015189416_100000212008 [0,0,0,1,0,0|3,0,0]=4 6846 B11R1.301 O=C(NCCCF)NC1CC1 273464a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 6847 B11R1.301 O=C(NCCCF)NC1CC1 273464a_100015189416_100000212008 [0,0,0,1,0,0|3,0,0]=4 6848 B11R1.301 O=C(NCCCF)NC1CC1 512a_100000212008_100015189416 [0,0,0,1,0,0|3,0,0]=4 6849 B11R1.301 O=C(NCCCO)NC1CC1 2708a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 6850 B11R1.301 O=C(NCCCO)NC1CC1 273464a_100000182051_100000212008 [0,0,0,1,0,0|3,0,0]=4 6851 B11R1.301 O=C(NCCCO)NC1CC1 273464a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 6852 B11R1.301 O=C(NCCCO)NC1CC1 512a_100000212008_100000182051 [0,0,0,1,0,0|3,0,0]=4 6853 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210202 [0,0,0,1,0,0|2,0,0]=3 6854 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000204670 [0,0,0,1,0,0|2,0,0]=3 6855 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210202 [0,0,0,1,0,0|2,0,0]=3 6856 B11R1.391 C[C@H]1CNC(=O)CCN1CF 269982a_102125656889_100015361967 [0,0,0,1,0,0|3,0,0]=4 6857 B11R1.391 C[C@H]1CNC(=O)CCN1CF 34a_102125656889_100015361967 [0,0,0,1,0,0|3,0,0]=4 6858 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,0,0,1,0,0|2,0,1]=4 6859 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,0,0,1,0,0|2,0,1]=4 6860 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 6861 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 6862 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 6863 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 6864 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 6865 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 6866 B11R1.605 CCCN1C(CCCC1C)C 2230a_100000210447_100000210303 [0,0,0,1,0,0|2,0,1]=4 6867 B11R1.605 CCCN1C(CCCC1C)C 269982a_100000210447_100000210303 [0,0,0,1,0,0|2,0,1]=4 6868 B11R1.605 CCCN1C(CCCC1C)C 34a_100000210447_100000210303 [0,0,0,1,0,0|2,0,1]=4 6869 B11R1.759 CCCCCN1CC(C1)CC 2230a_100015205115_100000210326 [0,0,0,1,0,0|3,0,0]=4 6870 B11R1.759 CCCCCN1CC(C1)CC 269982a_100015205115_100000210215 [0,0,0,1,0,0|3,0,0]=4 6871 B11R1.900 CC1(CCCCC1)OCCF 34a_100011215885_100011217306 [0,0,0,1,0,0|2,0,1]=4 6872 B11R1.900 CC1(CCCCC1)OCCF 7a_100011215885_100011217306 [0,0,0,1,0,0|2,0,1]=4 6873 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,0,0,1,0,0|2,0,1]=4 6874 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,0,0,1,0,0|2,0,1]=4 6875 B11R1.900 CCCNC1(CCCCC1)C 2230a_100000741114_100000210303 [0,0,0,1,0,0|2,0,1]=4 6876 B11R1.900 CCCNC1(CCCCC1)C 34a_100000741114_100000210303 [0,0,0,1,0,0|2,0,1]=4 6877 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [0,0,0,1,0,0|1,0,1]=3 6878 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [0,0,0,1,0,0|1,0,1]=3 6879 B11R1.900 CCCOC1(CCOCC1)C 34a_100011827762_100000210303 [0,0,0,1,0,0|2,0,1]=4 6880 B11R1.900 CCCOC1(CCOCC1)C 7a_100011827762_100000210303 [0,0,0,1,0,0|2,0,1]=4 6881 B11R1.900 CCCOC1(CCSCC1)C 34a_200011004327_100000210303 [0,0,0,1,0,0|2,0,1]=4 6882 B11R1.900 CCCOC1(CCSCC1)C 7a_200011004327_100000210303 [0,0,0,1,0,0|2,0,1]=4 6883 B11R1.900 CSCOC1(CCCCC1)C 34a_100011215885_100011218213 [0,0,0,1,0,0|2,0,1]=4 6884 B11R1.1034 C#CCCCC(=O)C1CC1C 1458a_100000211227_100000731252 [0,0,0,1,0,0|1,0,2]=4 6885 B11R1.1034 C=CCCCC(=O)C1CC1C 1458a_100000211227_100000757094 [0,0,0,1,0,0|1,0,2]=4 6886 B11R1.1034 CC/C=C\CC(=O)C1CC1C 1458a_100000211227_100103147603 [0,0,0,1,0,0|1,0,2]=4 6887 B11R1.1034 CC1CC1C(=O)CCCC#N 1458a_100000211227_100000211468 [0,0,0,1,0,0|2,0,1]=4 6888 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [0,0,0,1,0,0|2,0,0]=3 6889 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [0,0,0,1,0,0|2,0,0]=3 6890 B11R1.1034 CC1CC1C(=O)NCCCF 11a_100015189416_100000211227 [0,0,0,1,0,0|3,0,0]=4 6891 B11R1.1034 CC1CC1C(=O)NCCCF 1626a_100015189416_100000211227 [0,0,0,1,0,0|3,0,0]=4 6892 B11R1.1034 CC1CC1C(=O)NCCCF 527a_100015189416_100000211227 [0,0,0,1,0,0|3,0,0]=4 6893 B11R1.1034 CC1CC1C(=O)NCCCO 527a_100000182051_100000211227 [0,0,0,1,0,0|3,0,0]=4 6894 B11R1.1034 CCC#CCC(=O)C1CC1C 1458a_100000211227_100009813939 [0,0,0,1,0,0|1,0,2]=4 6895 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,0,0,1,0,0|1,0,0]=2 6896 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,0,0,1,0,0|2,0,0]=3 6897 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [0,0,0,1,0,0|2,0,0]=3 6898 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [0,0,0,1,0,0|2,0,0]=3 6899 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [0,0,0,1,0,0|2,0,0]=3 6900 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000102301_100015396687 [0,0,0,1,0,0|3,0,0]=4 6901 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000102301_100015396687 [0,0,0,1,0,0|3,0,0]=4 6902 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000102301_100015396687 [0,0,0,1,0,0|3,0,0]=4 6903 B11R1.1034 CCCNNC(=O)C1CC1C 22a_100000740057_100000211227 [0,0,0,1,0,0|3,0,0]=4 6904 B11R1.1034 CCOCCC(=O)C1CC1C 1458a_100000211227_100011215890 [0,0,0,1,0,0|2,0,0]=3 6905 B11R1.1034 CCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215890 [0,0,0,1,0,0|3,0,0]=4 6906 B11R1.1034 CCSCCC(=O)C1CC1C 1458a_100000211227_100000757381 [0,0,0,1,0,0|2,0,0]=3 6907 B11R1.1034 CCSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000757381 [0,0,0,1,0,0|3,0,0]=4 6908 B11R1.1034 COCCCC(=O)C1CC1C 1458a_100000211227_100000740836 [0,0,0,1,0,0|2,0,0]=3 6909 B11R1.1034 COCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000740836 [0,0,0,1,0,0|3,0,0]=4 6910 B11R1.1034 COCCNC(=O)C1CC1C 1626a_100000209980_100000211227 [0,0,0,1,0,0|3,0,0]=4 6911 B11R1.1034 COCCNC(=O)C1CC1C 527a_100000209980_100000211227 [0,0,0,1,0,0|3,0,0]=4 6912 B11R1.1034 CSCCNC(=O)C1CC1C 11a_100020590264_100000211227 [0,0,0,1,0,0|3,0,0]=4 6913 B11R1.1034 CSCCNC(=O)C1CC1C 1626a_100020590264_100000211227 [0,0,0,1,0,0|3,0,0]=4 6914 B11R1.1034 CSCCNC(=O)C1CC1C 527a_100020590264_100000211227 [0,0,0,1,0,0|3,0,0]=4 6915 B11R1.1034 O=C(CCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729493 [0,0,0,1,0,0|3,0,0]=4 6916 B11R1.1034 O=C(CCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210776 [0,0,0,1,0,0|3,0,0]=4 6917 B11R1.1133 CCCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210303 [0,0,0,1,0,0|2,0,1]=4 6918 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [2,0,0,0,0,0|0,0,2]=4 6919 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [2,0,0,0,0,0|0,0,2]=4 6920 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [2,0,0,0,0,0|0,0,2]=4 6921 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [2,0,0,0,0,0|0,0,2]=4 6922 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [2,0,0,0,0,0|0,0,2]=4 6923 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [2,0,0,0,0,0|0,0,2]=4 6924 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [2,0,0,0,0,0|0,0,2]=4 6925 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [2,0,0,0,0,0|0,0,2]=4 6926 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [2,0,0,0,0,0|0,0,2]=4 6927 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [2,0,0,0,0,0|0,0,2]=4 6928 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [2,0,0,0,0,0|0,0,2]=4 6929 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [2,0,0,0,0,0|0,0,2]=4 6930 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [2,0,0,0,0,0|0,0,2]=4 6931 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [2,0,0,0,0,0|0,0,2]=4 6932 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [2,0,0,0,0,0|0,0,2]=4 6933 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [2,0,0,0,0,0|0,0,2]=4 6934 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [2,0,0,0,0,0|1,0,1]=4 6935 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [2,0,0,0,0,0|1,0,1]=4 6936 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [2,0,0,0,0,0|1,0,0]=3 6937 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [2,0,0,0,0,0|1,0,0]=3 6938 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [2,0,0,0,0,0|1,0,0]=3 6939 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [2,0,0,0,0,0|1,0,0]=3 6940 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [2,0,0,0,0,0|1,0,0]=3 6941 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [2,0,0,0,0,0|1,0,0]=3 6942 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [2,0,0,0,0,0|1,0,0]=3 6943 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [2,0,0,0,0,0|1,0,0]=3 6944 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [2,0,0,0,0,0|1,0,0]=3 6945 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [2,0,0,0,0,0|1,0,0]=3 6946 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [2,0,0,0,0,0|1,0,0]=3 6947 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [2,0,0,0,0,0|2,0,0]=4 6948 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [2,0,0,0,0,0|2,0,0]=4 6949 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6950 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6951 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6952 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [2,0,0,0,0,0|2,0,0]=4 6953 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 6954 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [2,0,0,0,0,0|2,0,0]=4 6955 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [2,0,0,0,0,0|2,0,0]=4 6956 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [2,0,0,0,0,0|1,0,0]=3 6957 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [2,0,0,0,0,0|1,0,0]=3 6958 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [2,0,0,0,0,0|1,0,0]=3 6959 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [2,0,0,0,0,0|1,0,0]=3 6960 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [2,0,0,0,0,0|1,0,0]=3 6961 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [2,0,0,0,0,0|1,0,1]=4 6962 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [2,0,0,0,0,0|1,0,1]=4 6963 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [2,0,0,0,0,0|0,0,0]=2 6964 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [2,0,0,0,0,0|0,0,0]=2 6965 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [2,0,0,0,0,0|1,0,0]=3 6966 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [2,0,0,0,0,0|1,0,0]=3 6967 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [2,0,0,0,0,0|1,0,0]=3 6968 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [2,0,0,0,0,0|1,0,0]=3 6969 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [2,0,0,0,0,0|1,0,0]=3 6970 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6971 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6972 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [2,0,0,0,0,0|1,0,0]=3 6973 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [2,0,0,0,0,0|2,0,0]=4 6974 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 6975 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [2,0,0,0,0,0|1,0,1]=4 6976 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [2,0,0,0,0,0|1,0,1]=4 6977 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 6978 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 6979 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 6980 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [2,0,0,0,0,0|2,0,0]=4 6981 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [2,0,0,0,0,0|2,0,0]=4 6982 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [2,0,0,0,0,0|2,0,0]=4 6983 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 6984 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [2,0,0,0,0,0|2,0,0]=4 6985 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6986 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6987 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6988 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [2,0,0,0,0,0|1,0,0]=3 6989 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [2,0,0,0,0,0|2,0,0]=4 6990 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [2,0,0,0,0,0|2,0,0]=4 6991 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 6992 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [2,0,0,0,0,0|2,0,0]=4 6993 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [2,0,0,0,0,0|2,0,0]=4 6994 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [2,0,0,0,0,0|2,0,0]=4 6995 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6996 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6997 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 6998 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [2,0,0,0,0,0|2,0,0]=4 6999 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [2,0,0,0,0,0|2,0,0]=4 7000 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 7001 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 7002 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 7003 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [2,0,0,0,0,0|2,0,0]=4 7004 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [2,0,0,0,0,0|2,0,0]=4 7005 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [2,0,0,0,0,0|2,0,0]=4 7006 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [2,0,0,0,0,0|2,0,0]=4 7007 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [2,0,0,0,0,0|2,0,0]=4 7008 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 7009 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 7010 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 7011 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 7012 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [2,0,0,0,0,0|2,0,0]=4 7013 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [2,0,0,0,0,0|2,0,0]=4 7014 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 7015 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [2,0,0,0,0,0|1,0,0]=3 7016 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [2,0,0,0,0,0|1,0,0]=3 7017 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [2,0,0,0,0,0|1,0,0]=3 7018 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [2,0,0,0,0,0|1,0,0]=3 7019 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [2,0,0,0,0,0|1,0,0]=3 7020 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [2,0,0,0,0,0|1,0,0]=3 7021 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [2,0,0,0,0,0|1,0,0]=3 7022 B8R0.1 CCCOC(C)CCC 34a_100000210258_100000766640 [2,0,0,0,0,0|1,0,1]=4 7023 B8R0.1 CCCOC(C)CCC 34a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 7024 B8R0.1 CCCOC(C)CCC 7a_100000764384_100000210303 [2,0,0,0,0,0|1,0,1]=4 7025 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 7026 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [2,0,0,0,0,0|2,0,0]=4 7027 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [2,0,0,0,0,0|2,0,0]=4 7028 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [2,0,0,0,0,0|2,0,0]=4 7029 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 7030 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 7031 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [2,0,0,0,0,0|2,0,0]=4 7032 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 7033 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 7034 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [2,0,0,0,0,0|2,0,0]=4 7035 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [2,0,0,0,0,0|2,0,0]=4 7036 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [2,0,0,0,0,0|2,0,0]=4 7037 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [2,0,0,0,0,0|2,0,0]=4 7038 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [2,0,0,0,0,0|2,0,0]=4 7039 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 7040 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 7041 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [2,0,0,0,0,0|2,0,0]=4 7042 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [2,0,0,0,0,0|2,0,0]=4 7043 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 7044 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 7045 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [2,0,0,0,0,0|2,0,0]=4 7046 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [2,0,0,0,0,0|2,0,0]=4 7047 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [2,0,0,0,0,0|2,0,0]=4 7048 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [2,0,0,0,0,0|2,0,0]=4 7049 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [2,0,0,0,0,0|2,0,0]=4 7050 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [2,0,0,0,0,0|1,0,0]=3 7051 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 7052 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [2,0,0,0,0,0|1,0,0]=3 7053 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [2,0,0,0,0,0|1,0,0]=3 7054 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [2,0,0,0,0,0|1,0,0]=3 7055 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [2,0,0,0,0,0|1,0,0]=3 7056 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [2,0,0,0,0,0|1,0,0]=3 7057 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [2,0,0,0,0,0|1,0,0]=3 7058 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [2,0,0,0,0,0|1,0,0]=3 7059 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [2,0,0,0,0,0|1,0,0]=3 7060 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [2,0,0,0,0,0|1,0,0]=3 7061 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [2,0,0,0,0,0|2,0,0]=4 7062 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [2,0,0,0,0,0|2,0,0]=4 7063 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [2,0,0,0,0,0|2,0,0]=4 7064 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [2,0,0,0,0,0|2,0,0]=4 7065 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [2,0,0,0,0,0|2,0,0]=4 7066 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [2,0,0,0,0,0|2,0,0]=4 7067 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [2,0,0,0,0,0|1,0,0]=3 7068 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [2,0,0,0,0,0|2,0,0]=4 7069 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [2,0,0,0,0,0|2,0,0]=4 7070 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [2,0,0,0,0,0|2,0,0]=4 7071 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [2,0,0,0,0,0|2,0,0]=4 7072 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [2,0,0,0,0,0|2,0,0]=4 7073 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [2,0,0,0,0,0|2,0,0]=4 7074 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [2,0,0,0,0,0|2,0,0]=4 7075 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [2,0,0,0,0,0|2,0,0]=4 7076 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [2,0,0,0,0,0|2,0,0]=4 7077 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [2,0,0,0,0,0|2,0,0]=4 7078 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [2,0,0,0,0,0|2,0,0]=4 7079 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [2,0,0,0,0,0|2,0,0]=4 7080 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [2,0,0,0,0,0|2,0,0]=4 7081 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [2,0,0,0,0,0|2,0,0]=4 7082 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [2,0,0,0,0,0|2,0,0]=4 7083 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [2,0,0,0,0,0|2,0,0]=4 7084 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [2,0,0,0,0,0|2,0,0]=4 7085 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [2,0,0,0,0,0|2,0,0]=4 7086 B8R0.4 C#CCCCOCCC 34a_100000210258_100000695029 [2,0,0,0,0,0|0,0,2]=4 7087 B8R0.4 C#CCCCOCCC 34a_100000215630_100000210303 [2,0,0,0,0,0|0,0,2]=4 7088 B8R0.4 C#CCCCOCCC 7a_100000215630_100000210303 [2,0,0,0,0,0|0,0,2]=4 7089 B8R0.4 C#CCOCCCCC 34a_100000210247_100000718602 [2,0,0,0,0,0|0,0,2]=4 7090 B8R0.4 C#CCOCCCCC 34a_100000210253_100000184674 [2,0,0,0,0,0|0,0,2]=4 7091 B8R0.4 C#CCOCCCCC 7a_100000210253_100000038162 [2,0,0,0,0,0|0,0,2]=4 7092 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [2,0,0,0,0,0|0,0,2]=4 7093 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [2,0,0,0,0,0|0,0,2]=4 7094 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [2,0,0,0,0,0|0,0,2]=4 7095 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [2,0,0,0,0,0|0,0,2]=4 7096 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [2,0,0,0,0,0|0,0,2]=4 7097 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [2,0,0,0,0,0|0,0,2]=4 7098 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [2,0,0,0,0,0|0,0,2]=4 7099 B8R0.4 CC#CCCOCCC 34a_100000750427_100000210303 [2,0,0,0,0,0|0,0,2]=4 7100 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 7101 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [2,0,0,0,0,0|1,0,1]=4 7102 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 7103 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [2,0,0,0,0,0|1,0,1]=4 7104 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [2,0,0,0,0,0|1,0,1]=4 7105 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 7106 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [2,0,0,0,0,0|1,0,1]=4 7107 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [2,0,0,0,0,0|1,0,1]=4 7108 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [2,0,0,0,0,0|1,0,1]=4 7109 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [2,0,0,0,0,0|1,0,1]=4 7110 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [2,0,0,0,0,0|0,0,2]=4 7111 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [2,0,0,0,0,0|0,0,2]=4 7112 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [2,0,0,0,0,0|1,0,1]=4 7113 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [2,0,0,0,0,0|1,0,1]=4 7114 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [2,0,0,0,0,0|0,0,2]=4 7115 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [2,0,0,0,0,0|0,0,2]=4 7116 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [2,0,0,0,0,0|1,0,1]=4 7117 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [2,0,0,0,0,0|1,0,1]=4 7118 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 7119 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [2,0,0,0,0,0|1,0,1]=4 7120 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 7121 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [2,0,0,0,0,0|1,0,1]=4 7122 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [2,0,0,0,0,0|2,0,0]=4 7123 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [2,0,0,0,0,0|2,0,0]=4 7124 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [2,0,0,0,0,0|1,0,1]=4 7125 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [2,0,0,0,0,0|1,0,1]=4 7126 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [2,0,0,0,0,0|1,0,1]=4 7127 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [2,0,0,0,0,0|1,0,1]=4 7128 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [2,0,0,0,0,0|1,0,1]=4 7129 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 7130 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [2,0,0,0,0,0|1,0,1]=4 7131 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [2,0,0,0,0,0|1,0,1]=4 7132 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 7133 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [2,0,0,0,0,0|1,0,1]=4 7134 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [2,0,0,0,0,0|1,0,1]=4 7135 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [2,0,0,0,0,0|1,0,1]=4 7136 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [2,0,0,0,0,0|1,0,1]=4 7137 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [2,0,0,0,0,0|1,0,1]=4 7138 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [2,0,0,0,0,0|1,0,1]=4 7139 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [2,0,0,0,0,0|1,0,1]=4 7140 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 7141 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [2,0,0,0,0,0|0,0,1]=3 7142 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [2,0,0,0,0,0|0,0,1]=3 7143 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 7144 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [2,0,0,0,0,0|1,0,1]=4 7145 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [2,0,0,0,0,0|0,1,1]=4 7146 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [2,0,0,0,0,0|0,1,1]=4 7147 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [2,0,0,0,0,0|1,0,0]=3 7148 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [2,0,0,0,0,0|2,0,0]=4 7149 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [2,0,0,0,0,0|2,0,0]=4 7150 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [2,0,0,0,0,0|2,0,0]=4 7151 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [2,0,0,0,0,0|2,0,0]=4 7152 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [2,0,0,0,0,0|2,0,0]=4 7153 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [2,0,0,0,0,0|2,0,0]=4 7154 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [2,0,0,0,0,0|2,0,0]=4 7155 B8R0.4 CCCCCOCC#N 7a_100000210253_100011215382 [2,0,0,0,0,0|1,0,1]=4 7156 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [2,0,0,0,0,0|1,0,1]=4 7157 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [2,0,0,0,0,0|1,0,1]=4 7158 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [2,0,0,0,0,0|1,0,0]=3 7159 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [2,0,0,0,0,0|0,0,0]=2 7160 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [2,0,0,0,0,0|0,0,0]=2 7161 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [2,0,0,0,0,0|0,0,0]=2 7162 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [2,0,0,0,0,0|1,0,0]=3 7163 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [2,0,0,0,0,0|1,0,0]=3 7164 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [2,0,0,0,0,0|1,0,0]=3 7165 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7166 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [2,0,0,0,0,0|1,0,0]=3 7167 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [2,0,0,0,0,0|1,0,0]=3 7168 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [2,0,0,0,0,0|0,1,0]=3 7169 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [2,0,0,0,0,0|0,1,0]=3 7170 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [2,0,0,0,0,0|1,1,0]=4 7171 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [2,0,0,0,0,0|1,1,0]=4 7172 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [2,0,0,0,0,0|1,1,0]=4 7173 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [2,0,0,0,0,0|1,1,0]=4 7174 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [2,0,0,0,0,0|1,1,0]=4 7175 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [2,0,0,0,0,0|1,1,0]=4 7176 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [2,0,0,0,0,0|1,1,0]=4 7177 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [2,0,0,0,0,0|1,1,0]=4 7178 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [2,0,0,0,0,0|1,0,1]=4 7179 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [2,0,0,0,0,0|1,0,1]=4 7180 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [2,0,0,0,0,0|1,0,1]=4 7181 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [2,0,0,0,0,0|1,0,1]=4 7182 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [2,0,0,0,0,0|1,0,1]=4 7183 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [2,0,0,0,0,0|1,0,1]=4 7184 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [2,0,0,0,0,0|1,0,1]=4 7185 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [2,0,0,0,0,0|1,0,1]=4 7186 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 7187 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [2,0,0,0,0,0|2,0,0]=4 7188 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [2,0,0,0,0,0|2,0,0]=4 7189 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [2,0,0,0,0,0|2,0,0]=4 7190 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 7191 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [2,0,0,0,0,0|1,0,1]=4 7192 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [2,0,0,0,0,0|2,0,0]=4 7193 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [2,0,0,0,0,0|1,0,0]=3 7194 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 7195 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [2,0,0,0,0,0|1,0,0]=3 7196 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [2,0,0,0,0,0|1,0,0]=3 7197 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [2,0,0,0,0,0|1,0,0]=3 7198 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [2,0,0,0,0,0|1,0,0]=3 7199 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [2,0,0,0,0,0|1,0,0]=3 7200 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [2,0,0,0,0,0|1,0,0]=3 7201 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [2,0,0,0,0,0|1,0,0]=3 7202 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [2,0,0,0,0,0|1,0,0]=3 7203 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [2,0,0,0,0,0|1,0,0]=3 7204 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [2,0,0,0,0,0|1,0,0]=3 7205 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [2,0,0,0,0,0|1,0,0]=3 7206 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [2,0,0,0,0,0|1,0,0]=3 7207 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [2,0,0,0,0,0|1,0,0]=3 7208 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [2,0,0,0,0,0|1,0,0]=3 7209 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [2,0,0,0,0,0|1,0,0]=3 7210 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [2,0,0,0,0,0|1,0,0]=3 7211 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [2,0,0,0,0,0|1,0,0]=3 7212 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [2,0,0,0,0,0|1,0,0]=3 7213 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [2,0,0,0,0,0|1,0,0]=3 7214 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [2,0,0,0,0,0|2,0,0]=4 7215 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 7216 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [2,0,0,0,0,0|1,0,0]=3 7217 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 7218 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [2,0,0,0,0,0|1,0,0]=3 7219 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [2,0,0,0,0,0|1,0,0]=3 7220 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [2,0,0,0,0,0|1,0,0]=3 7221 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 7222 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [2,0,0,0,0,0|2,0,0]=4 7223 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [2,0,0,0,0,0|1,0,0]=3 7224 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [2,0,0,0,0,0|1,0,0]=3 7225 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [2,0,0,0,0,0|1,0,0]=3 7226 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [2,0,0,0,0,0|1,0,0]=3 7227 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [2,0,0,0,0,0|1,0,0]=3 7228 B8R0.4 CCCOCCSCF 62a_100011215938_100015361967 [2,0,0,0,0,0|2,0,0]=4 7229 B8R0.4 CCCOCCSCF 62a_100015361967_100011215938 [2,0,0,0,0,0|2,0,0]=4 7230 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [2,0,0,0,0,0|1,1,0]=4 7231 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [2,0,0,0,0,0|1,1,0]=4 7232 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [2,0,0,0,0,0|1,1,0]=4 7233 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [2,0,0,0,0,0|1,1,0]=4 7234 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [2,0,0,0,0,0|1,1,0]=4 7235 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [2,0,0,0,0,0|1,1,0]=4 7236 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [2,0,0,0,0,0|1,1,0]=4 7237 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 7238 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [2,0,0,0,0,0|1,0,1]=4 7239 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [2,0,0,0,0,0|1,0,1]=4 7240 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [2,0,0,0,0,0|1,0,1]=4 7241 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [2,0,0,0,0,0|1,1,0]=4 7242 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [2,0,0,0,0,0|1,1,0]=4 7243 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 7244 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [2,0,0,0,0,0|1,0,1]=4 7245 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [2,0,0,0,0,0|1,0,1]=4 7246 B8R0.4 CCNCCOCCO 2230a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7247 B8R0.4 CCNCCOCCO 2230a_100015525214_100011215305 [2,0,0,0,0,0|2,0,0]=4 7248 B8R0.4 CCNCCOCCO 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7249 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 7250 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [2,0,0,0,0,0|1,0,1]=4 7251 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 7252 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [2,0,0,0,0,0|1,0,1]=4 7253 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [2,0,0,0,0,0|1,0,1]=4 7254 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 7255 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [2,0,0,0,0,0|1,0,1]=4 7256 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [2,0,0,0,0,0|1,0,1]=4 7257 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [2,0,0,0,0,0|1,0,1]=4 7258 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [2,0,0,0,0,0|1,0,1]=4 7259 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [2,0,0,0,0,0|1,0,1]=4 7260 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 7261 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [2,0,0,0,0,0|1,0,1]=4 7262 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 7263 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [2,0,0,0,0,0|1,0,1]=4 7264 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [2,0,0,0,0,0|1,0,1]=4 7265 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 7266 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [2,0,0,0,0,0|1,0,1]=4 7267 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [2,0,0,0,0,0|1,0,1]=4 7268 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [2,0,0,0,0,0|1,0,1]=4 7269 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [2,0,0,0,0,0|2,0,0]=4 7270 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 7271 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [2,0,0,0,0,0|2,0,0]=4 7272 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 7273 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 7274 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 7275 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 7276 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [2,0,0,0,0,0|2,0,0]=4 7277 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [2,0,0,0,0,0|2,0,0]=4 7278 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 7279 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [2,0,0,0,0,0|2,0,0]=4 7280 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [2,0,0,0,0,0|2,0,0]=4 7281 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [2,0,0,0,0,0|2,0,0]=4 7282 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7283 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [2,0,0,0,0,0|2,0,0]=4 7284 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [2,0,0,0,0,0|2,0,0]=4 7285 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [2,0,0,0,0,0|2,0,0]=4 7286 B8R0.4 CCSCCOCCBr 34a_100000211926_100000757381 [2,0,0,0,0,0|2,0,0]=4 7287 B8R0.4 CCSCCOCCF 34a_100000212035_100011217306 [2,0,0,0,0,0|2,0,0]=4 7288 B8R0.4 CCSCCOCCF 7a_100000212035_100011217306 [2,0,0,0,0,0|2,0,0]=4 7289 B8R0.4 CCSCCOCCN 34a_100000210304_100000757381 [2,0,0,0,0,0|2,0,0]=4 7290 B8R0.4 CCSCCOCCO 34a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7291 B8R0.4 CCSCCOCCO 62a_100000210202_100011215305 [2,0,0,0,0,0|2,0,0]=4 7292 B8R0.4 CCSCCOCCO 62a_100011215305_100000210202 [2,0,0,0,0,0|2,0,0]=4 7293 B8R0.4 CCSCCOCCO 7a_100000212035_100000211926 [2,0,0,0,0,0|2,0,0]=4 7294 B8R0.4 CCSCCOCSC 34a_100000212035_100011218213 [2,0,0,0,0,0|2,0,0]=4 7295 B8R0.4 CNCCCOCCF 34a_100000213112_100011217306 [2,0,0,0,0,0|2,0,0]=4 7296 B8R0.4 CNCCCOCCO 34a_100000213112_100000211926 [2,0,0,0,0,0|2,0,0]=4 7297 B8R0.4 CNCCCOCSC 34a_100000213112_100011218213 [2,0,0,0,0,0|2,0,0]=4 7298 B8R0.4 COCCCOCCBr 34a_100000211926_100000740836 [2,0,0,0,0,0|2,0,0]=4 7299 B8R0.4 COCCCOCCF 34a_100000740835_100011217306 [2,0,0,0,0,0|2,0,0]=4 7300 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [2,0,0,0,0,0|2,0,0]=4 7301 B8R0.4 COCCCOCCO 34a_100000740835_100000211926 [2,0,0,0,0,0|2,0,0]=4 7302 B8R0.4 COCCCOCSC 34a_100000740835_100011218213 [2,0,0,0,0,0|2,0,0]=4 7303 B8R0.4 CSCCCOCCF 34a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 7304 B8R0.4 CSCCCOCCF 7a_100000690336_100011217306 [2,0,0,0,0,0|2,0,0]=4 7305 B8R0.4 CSCCCOCCO 34a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7306 B8R0.4 CSCCCOCCO 7a_100000690336_100000211926 [2,0,0,0,0,0|2,0,0]=4 7307 B8R0.4 CSCCCOCSC 34a_100000690336_100011218213 [2,0,0,0,0,0|2,0,0]=4 7308 B8R0.4 CSCOCCCCBr 34a_100011216708_100011218213 [2,0,0,0,0,0|2,0,0]=4 7309 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [2,0,0,0,0,0|2,0,0]=4 7310 B8R0.4 CSCOCCCCF 34a_100011995726_100011218213 [2,0,0,0,0,0|2,0,0]=4 7311 B8R0.4 CSCOCCCCI 34a_200012148704_100011218213 [2,0,0,0,0,0|2,0,0]=4 7312 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [2,0,0,0,0,0|2,0,0]=4 7313 B8R0.4 FCCCCOCCBr 34a_100000211926_100000729493 [2,0,0,0,0,0|2,0,0]=4 7314 B8R0.4 FCCCCOCCF 34a_100011995726_100011217306 [2,0,0,0,0,0|2,0,0]=4 7315 B8R0.4 FCCCCOCCF 7a_100011995726_100011217306 [2,0,0,0,0,0|2,0,0]=4 7316 B8R0.4 FCCOCCCCBr 34a_100011216708_100011217306 [2,0,0,0,0,0|2,0,0]=4 7317 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 7318 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [2,0,0,0,0,0|2,0,0]=4 7319 B8R0.4 FCCOCCCCI 34a_200012148704_100011217306 [2,0,0,0,0,0|2,0,0]=4 7320 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [2,0,0,0,0,0|2,0,0]=4 7321 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [2,0,0,0,0,0|2,0,0]=4 7322 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [2,0,0,0,0,0|2,0,0]=4 7323 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [2,0,0,0,0,0|2,0,0]=4 7324 B8R0.4 OCCCCOCCBr 34a_100000211926_100011216708 [2,0,0,0,0,0|2,0,0]=4 7325 B8R0.4 OCCOCCCCBr 34a_100011216708_100000211926 [2,0,0,0,0,0|2,0,0]=4 7326 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7327 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [2,0,0,0,0,0|2,0,0]=4 7328 B8R0.4 OCCOCCCCF 34a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7329 B8R0.4 OCCOCCCCF 7a_100011995726_100000211926 [2,0,0,0,0,0|2,0,0]=4 7330 B8R0.4 OCCOCCCCI 34a_200012148704_100000211926 [2,0,0,0,0,0|2,0,0]=4 7331 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [2,0,0,0,0,0|0,0,2]=4 7332 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [2,0,0,0,0,0|0,0,2]=4 7333 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [2,0,0,0,0,0|0,0,2]=4 7334 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [2,0,0,0,0,0|0,0,2]=4 7335 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [2,0,0,0,0,0|0,0,2]=4 7336 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [2,0,0,0,0,0|0,0,2]=4 7337 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [2,0,0,0,0,0|0,0,2]=4 7338 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [2,0,0,0,0,0|0,0,2]=4 7339 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [2,0,0,0,0,0|0,0,2]=4 7340 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [2,0,0,0,0,0|1,0,1]=4 7341 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [2,0,0,0,0,0|1,0,1]=4 7342 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [2,0,0,0,0,0|1,0,0]=3 7343 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [2,0,0,0,0,0|1,0,0]=3 7344 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [2,0,0,0,0,0|1,0,0]=3 7345 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [2,0,0,0,0,0|1,0,0]=3 7346 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [2,0,0,0,0,0|1,0,0]=3 7347 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [2,0,0,0,0,0|1,0,0]=3 7348 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [2,0,0,0,0,0|2,0,0]=4 7349 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [2,0,0,0,0,0|2,0,0]=4 7350 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [2,0,0,0,0,0|2,0,0]=4 7351 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [2,0,0,0,0,0|2,0,0]=4 7352 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [2,0,0,0,0,0|2,0,0]=4 7353 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [2,0,0,0,0,0|2,0,0]=4 7354 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [2,0,0,0,0,0|2,0,0]=4 7355 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [2,0,0,0,0,0|2,0,0]=4 7356 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [2,0,0,0,0,0|2,0,0]=4 7357 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [2,0,0,0,0,0|2,0,0]=4 7358 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [2,0,0,0,0,0|2,0,0]=4 7359 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [2,0,0,0,0,0|2,0,0]=4 7360 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 7361 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 7362 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 7363 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [2,0,0,0,0,0|2,0,0]=4 7364 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 7365 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [2,0,0,0,0,0|2,0,0]=4 7366 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [2,0,0,0,0,0|2,0,0]=4 7367 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [2,0,0,0,0,0|2,0,0]=4 7368 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 7369 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 7370 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 7371 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [2,0,0,0,0,0|2,0,0]=4 7372 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [2,0,0,0,0,0|2,0,0]=4 7373 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 7374 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [2,0,0,0,0,0|2,0,0]=4 7375 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 7376 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 7377 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 7378 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [2,0,0,0,0,0|2,0,0]=4 7379 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [2,0,0,0,0,0|2,0,0]=4 7380 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [2,0,0,0,0,0|2,0,0]=4 7381 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [2,0,0,0,0,0|0,0,2]=4 7382 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [2,0,0,0,0,0|0,0,2]=4 7383 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [2,0,0,0,0,0|0,0,0]=2 7384 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [2,0,0,0,0,0|0,0,0]=2 7385 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [2,0,0,0,0,0|1,0,0]=3 7386 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [2,0,0,0,0,0|1,0,0]=3 7387 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [2,0,0,0,0,0|1,0,0]=3 7388 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7389 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7390 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [2,0,0,0,0,0|1,0,0]=3 7391 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 7392 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [2,0,0,0,0,0|1,0,1]=4 7393 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [2,0,0,0,0,0|1,0,1]=4 7394 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 7395 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [2,0,0,0,0,0|1,0,1]=4 7396 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [2,0,0,0,0,0|2,0,0]=4 7397 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [2,0,0,0,0,0|2,0,0]=4 7398 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [2,0,0,0,0,0|2,0,0]=4 7399 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [2,0,0,0,0,0|2,0,0]=4 7400 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 7401 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 7402 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 7403 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [2,0,0,0,0,0|1,0,0]=3 7404 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 7405 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [2,0,0,0,0,0|2,0,0]=4 7406 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [2,0,0,0,0,0|2,0,0]=4 7407 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 7408 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 7409 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [2,0,0,0,0,0|2,0,0]=4 7410 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [2,0,0,0,0,0|2,0,0]=4 7411 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [2,0,0,0,0,0|2,0,0]=4 7412 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [2,0,0,0,0,0|2,0,0]=4 7413 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [2,0,0,0,0,0|2,0,0]=4 7414 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [2,0,0,0,0,0|1,0,0]=3 7415 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [2,0,0,0,0,0|1,0,0]=3 7416 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [2,0,0,0,0,0|2,0,0]=4 7417 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [2,0,0,0,0,0|2,0,0]=4 7418 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7419 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7420 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [2,0,0,0,0,0|2,0,0]=4 7421 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [2,0,0,0,0,0|2,0,0]=4 7422 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [2,0,0,0,0,0|2,0,0]=4 7423 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [2,0,0,0,0,0|1,0,0]=3 7424 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [2,0,0,0,0,0|1,0,0]=3 7425 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [2,0,0,0,0,0|1,0,0]=3 7426 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [2,0,0,0,0,0|1,0,0]=3 7427 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [2,0,0,0,0,0|2,0,0]=4 7428 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [2,0,0,0,0,0|2,0,0]=4 7429 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7430 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7431 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [2,0,0,0,0,0|2,0,0]=4 7432 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [2,0,0,0,0,0|2,0,0]=4 7433 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [2,0,0,0,0,0|2,0,0]=4 7434 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [2,0,0,0,0,0|1,0,0]=3 7435 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [2,0,0,0,0,0|1,0,0]=3 7436 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 7437 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [2,0,0,0,0,0|2,0,0]=4 7438 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [2,0,0,0,0,0|2,0,0]=4 7439 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [2,0,0,0,0,0|1,0,0]=3 7440 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [2,0,0,0,0,0|1,0,0]=3 7441 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [2,0,0,0,0,0|1,0,0]=3 7442 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [2,0,0,0,0,0|2,0,0]=4 7443 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [2,0,0,0,0,0|2,0,0]=4 7444 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [2,0,0,0,0,0|2,0,0]=4 7445 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7446 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7447 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [2,0,0,0,0,0|2,0,0]=4 7448 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [2,0,0,0,0,0|2,0,0]=4 7449 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [2,0,0,0,0,0|2,0,0]=4 7450 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [2,0,0,0,0,0|1,0,0]=3 7451 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [2,0,0,0,0,0|1,0,0]=3 7452 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [2,0,0,0,0,0|1,0,0]=3 7453 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [2,0,0,0,0,0|2,0,0]=4 7454 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [2,0,0,0,0,0|2,0,0]=4 7455 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [2,0,0,0,0,0|2,0,0]=4 7456 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7457 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7458 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [2,0,0,0,0,0|2,0,0]=4 7459 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [2,0,0,0,0,0|2,0,0]=4 7460 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [2,0,0,0,0,0|2,0,0]=4 7461 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [2,0,0,0,0,0|1,0,0]=3 7462 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [2,0,0,0,0,0|1,0,0]=3 7463 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [2,0,0,0,0,0|2,0,0]=4 7464 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [2,0,0,0,0,0|2,0,0]=4 7465 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 7466 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [2,0,0,0,0,0|2,0,0]=4 7467 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [2,0,0,0,0,0|2,0,0]=4 7468 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7469 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7470 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [2,0,0,0,0,0|2,0,0]=4 7471 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [2,0,0,0,0,0|2,0,0]=4 7472 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [2,0,0,0,0,0|2,0,0]=4 7473 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7474 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7475 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [2,0,0,0,0,0|2,0,0]=4 7476 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [2,0,0,0,0,0|2,0,0]=4 7477 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [2,0,0,0,0,0|2,0,0]=4 7478 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [2,0,0,0,0,0|2,0,0]=4 7479 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [2,0,0,0,0,0|2,0,0]=4 7480 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7481 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 7482 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [2,0,0,0,0,0|2,0,0]=4 7483 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [2,0,0,0,0,0|2,0,0]=4 7484 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [2,0,0,0,0,0|2,0,0]=4 7485 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 7486 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [2,0,0,0,0,0|1,0,0]=3 7487 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [2,0,0,0,0,0|1,0,0]=3 7488 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [2,0,0,0,0,0|1,0,0]=3 7489 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [2,0,0,0,0,0|1,0,0]=3 7490 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [2,0,0,0,0,0|1,0,0]=3 7491 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [2,0,0,0,0,0|1,0,0]=3 7492 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [2,0,0,0,0,0|2,0,0]=4 7493 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [2,0,0,0,0,0|2,0,0]=4 7494 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [2,0,0,0,0,0|2,0,0]=4 7495 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [2,0,0,0,0,0|2,0,0]=4 7496 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [2,0,0,0,0,0|2,0,0]=4 7497 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 7498 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [2,0,0,0,0,0|2,0,0]=4 7499 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [2,0,0,0,0,0|2,0,0]=4 7500 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [2,0,0,0,0,0|2,0,0]=4 7501 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [2,0,0,0,0,0|2,0,0]=4 7502 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [2,0,0,0,0,0|2,0,0]=4 7503 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [2,0,0,0,0,0|2,0,0]=4 7504 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [2,0,0,0,0,0|2,0,0]=4 7505 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [2,0,0,0,0,0|2,0,0]=4 7506 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [2,0,0,0,0,0|2,0,0]=4 7507 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [2,0,0,0,0,0|2,0,0]=4 7508 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [2,0,0,0,0,0|2,0,0]=4 7509 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [2,0,0,0,0,0|1,0,0]=3 7510 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [2,0,0,0,0,0|2,0,0]=4 7511 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [2,0,0,0,0,0|2,0,0]=4 7512 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [2,0,0,0,0,0|2,0,0]=4 7513 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [2,0,0,0,0,0|2,0,0]=4 7514 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [2,0,0,0,0,0|2,0,0]=4 7515 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [2,0,0,0,0,0|2,0,0]=4 7516 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [2,0,0,0,0,0|2,0,0]=4 7517 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [2,0,0,0,0,0|2,0,0]=4 7518 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [1,1,0,0,0,0|0,0,2]=4 7519 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [1,1,0,0,0,0|0,0,2]=4 7520 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [1,1,0,0,0,0|0,0,2]=4 7521 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [1,1,0,0,0,0|0,0,2]=4 7522 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [1,1,0,0,0,0|0,0,2]=4 7523 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [1,1,0,0,0,0|0,0,2]=4 7524 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [1,1,0,0,0,0|0,0,2]=4 7525 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [1,1,0,0,0,0|0,0,2]=4 7526 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [1,1,0,0,0,0|0,0,2]=4 7527 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [1,1,0,0,0,0|0,0,2]=4 7528 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [1,1,0,0,0,0|0,0,2]=4 7529 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [1,1,0,0,0,0|0,0,2]=4 7530 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [1,1,0,0,0,0|0,0,2]=4 7531 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [1,1,0,0,0,0|0,0,1]=3 7532 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [1,1,0,0,0,0|0,0,1]=3 7533 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [1,1,0,0,0,0|1,0,1]=4 7534 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [1,1,0,0,0,0|1,0,1]=4 7535 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [1,1,0,0,0,0|1,0,1]=4 7536 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [1,1,0,0,0,0|1,0,1]=4 7537 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [1,1,0,0,0,0|1,0,1]=4 7538 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 7539 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 7540 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [1,1,0,0,0,0|1,0,1]=4 7541 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [1,1,0,0,0,0|0,0,2]=4 7542 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [1,1,0,0,0,0|0,0,2]=4 7543 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [1,1,0,0,0,0|0,0,2]=4 7544 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [1,1,0,0,0,0|0,0,2]=4 7545 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [1,1,0,0,0,0|0,0,2]=4 7546 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [1,1,0,0,0,0|0,0,2]=4 7547 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [1,1,0,0,0,0|0,0,2]=4 7548 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [1,1,0,0,0,0|0,0,2]=4 7549 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [1,1,0,0,0,0|0,0,2]=4 7550 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [1,1,0,0,0,0|0,0,2]=4 7551 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [1,1,0,0,0,0|0,0,2]=4 7552 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [1,1,0,0,0,0|0,0,2]=4 7553 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [1,1,0,0,0,0|0,0,2]=4 7554 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [1,1,0,0,0,0|0,0,2]=4 7555 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [1,1,0,0,0,0|0,0,2]=4 7556 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [1,1,0,0,0,0|0,0,2]=4 7557 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [1,1,0,0,0,0|0,0,2]=4 7558 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [1,1,0,0,0,0|0,0,2]=4 7559 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [1,1,0,0,0,0|0,0,2]=4 7560 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [1,1,0,0,0,0|0,0,2]=4 7561 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [1,1,0,0,0,0|0,0,2]=4 7562 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [1,1,0,0,0,0|0,0,2]=4 7563 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [1,1,0,0,0,0|0,0,2]=4 7564 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [1,1,0,0,0,0|0,0,2]=4 7565 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [1,1,0,0,0,0|0,0,2]=4 7566 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [1,1,0,0,0,0|0,0,2]=4 7567 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [1,1,0,0,0,0|0,0,2]=4 7568 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [1,1,0,0,0,0|0,0,2]=4 7569 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [1,1,0,0,0,0|0,0,2]=4 7570 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [1,1,0,0,0,0|0,0,2]=4 7571 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [1,1,0,0,0,0|0,0,2]=4 7572 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [1,1,0,0,0,0|0,0,2]=4 7573 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [1,1,0,0,0,0|0,0,2]=4 7574 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [1,1,0,0,0,0|0,0,2]=4 7575 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [1,1,0,0,0,0|0,0,2]=4 7576 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [1,1,0,0,0,0|0,0,1]=3 7577 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [1,1,0,0,0,0|0,0,1]=3 7578 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [1,1,0,0,0,0|1,0,1]=4 7579 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [1,1,0,0,0,0|1,0,1]=4 7580 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [1,1,0,0,0,0|1,0,1]=4 7581 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [1,1,0,0,0,0|1,0,1]=4 7582 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [1,1,0,0,0,0|1,0,1]=4 7583 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 7584 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 7585 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [1,1,0,0,0,0|1,0,1]=4 7586 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [1,1,0,0,0,0|0,0,2]=4 7587 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [1,1,0,0,0,0|0,0,2]=4 7588 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [1,1,0,0,0,0|0,0,2]=4 7589 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [1,1,0,0,0,0|0,0,2]=4 7590 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [1,1,0,0,0,0|0,0,2]=4 7591 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [1,1,0,0,0,0|0,0,2]=4 7592 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [1,1,0,0,0,0|0,0,2]=4 7593 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [1,1,0,0,0,0|0,0,2]=4 7594 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [1,1,0,0,0,0|0,0,2]=4 7595 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [1,1,0,0,0,0|0,0,2]=4 7596 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [1,1,0,0,0,0|0,0,2]=4 7597 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [1,1,0,0,0,0|0,0,2]=4 7598 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [1,1,0,0,0,0|0,0,2]=4 7599 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [1,1,0,0,0,0|0,0,2]=4 7600 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [1,1,0,0,0,0|0,0,2]=4 7601 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [1,1,0,0,0,0|0,0,2]=4 7602 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [1,1,0,0,0,0|0,0,2]=4 7603 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [1,1,0,0,0,0|0,0,2]=4 7604 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [1,1,0,0,0,0|0,0,2]=4 7605 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [1,1,0,0,0,0|0,0,2]=4 7606 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [1,1,0,0,0,0|0,0,2]=4 7607 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [1,1,0,0,0,0|0,0,2]=4 7608 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [1,1,0,0,0,0|0,0,2]=4 7609 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [1,1,0,0,0,0|0,0,2]=4 7610 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [1,1,0,0,0,0|0,0,2]=4 7611 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [1,1,0,0,0,0|0,0,2]=4 7612 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [1,1,0,0,0,0|0,0,2]=4 7613 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [1,1,0,0,0,0|0,0,2]=4 7614 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [1,1,0,0,0,0|0,0,2]=4 7615 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [1,1,0,0,0,0|0,0,2]=4 7616 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [1,1,0,0,0,0|0,0,2]=4 7617 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [1,1,0,0,0,0|0,0,2]=4 7618 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [1,1,0,0,0,0|0,0,2]=4 7619 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [1,1,0,0,0,0|0,0,2]=4 7620 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [1,1,0,0,0,0|0,0,2]=4 7621 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [1,1,0,0,0,0|0,0,1]=3 7622 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,1,0,0,0,0|1,0,1]=4 7623 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [1,1,0,0,0,0|1,0,1]=4 7624 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [1,1,0,0,0,0|1,0,1]=4 7625 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [1,1,0,0,0,0|0,0,2]=4 7626 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [1,1,0,0,0,0|0,0,2]=4 7627 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [1,1,0,0,0,0|0,0,2]=4 7628 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [1,1,0,0,0,0|0,0,2]=4 7629 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [1,1,0,0,0,0|0,0,2]=4 7630 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [1,1,0,0,0,0|0,0,2]=4 7631 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [1,1,0,0,0,0|0,0,2]=4 7632 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 7633 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 7634 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [1,1,0,0,0,0|0,0,2]=4 7635 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [1,1,0,0,0,0|0,0,2]=4 7636 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [1,1,0,0,0,0|0,0,2]=4 7637 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [1,1,0,0,0,0|0,0,2]=4 7638 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [1,1,0,0,0,0|0,0,2]=4 7639 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [1,1,0,0,0,0|0,0,1]=3 7640 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [1,1,0,0,0,0|1,0,1]=4 7641 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [1,1,0,0,0,0|1,0,1]=4 7642 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 7643 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 7644 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [1,1,0,0,0,0|1,0,1]=4 7645 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [1,1,0,0,0,0|0,0,1]=3 7646 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [1,1,0,0,0,0|0,0,0]=2 7647 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [1,1,0,0,0,0|0,0,0]=2 7648 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [1,1,0,0,0,0|0,0,0]=2 7649 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [1,1,0,0,0,0|0,0,0]=2 7650 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [1,1,0,0,0,0|2,0,0]=4 7651 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [1,1,0,0,0,0|0,0,0]=2 7652 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [1,1,0,0,0,0|1,0,1]=4 7653 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [1,1,0,0,0,0|1,0,0]=3 7654 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [1,1,0,0,0,0|1,0,0]=3 7655 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [1,1,0,0,0,0|1,0,0]=3 7656 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [1,1,0,0,0,0|1,0,0]=3 7657 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [1,1,0,0,0,0|1,0,0]=3 7658 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [1,1,0,0,0,0|1,0,0]=3 7659 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [1,1,0,0,0,0|1,0,0]=3 7660 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [1,1,0,0,0,0|1,0,1]=4 7661 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [1,1,0,0,0,0|1,0,1]=4 7662 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [1,1,0,0,0,0|1,0,0]=3 7663 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [1,1,0,0,0,0|1,0,0]=3 7664 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [1,1,0,0,0,0|1,0,0]=3 7665 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [1,1,0,0,0,0|1,0,0]=3 7666 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [1,1,0,0,0,0|1,0,0]=3 7667 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [1,1,0,0,0,0|1,0,0]=3 7668 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [1,1,0,0,0,0|1,0,0]=3 7669 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [1,1,0,0,0,0|1,0,0]=3 7670 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [1,1,0,0,0,0|1,0,0]=3 7671 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [1,1,0,0,0,0|1,0,0]=3 7672 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 7673 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [1,1,0,0,0,0|1,0,0]=3 7674 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 7675 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 7676 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [1,1,0,0,0,0|1,0,0]=3 7677 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 7678 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 7679 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 7680 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [1,1,0,0,0,0|1,0,0]=3 7681 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 7682 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [1,1,0,0,0,0|1,0,0]=3 7683 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 7684 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [1,1,0,0,0,0|1,0,0]=3 7685 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 7686 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 7687 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 7688 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [1,1,0,0,0,0|1,0,0]=3 7689 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [1,1,0,0,0,0|2,0,0]=4 7690 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [1,1,0,0,0,0|2,0,0]=4 7691 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [1,1,0,0,0,0|2,0,0]=4 7692 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [1,1,0,0,0,0|2,0,0]=4 7693 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [1,1,0,0,0,0|2,0,0]=4 7694 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [1,1,0,0,0,0|2,0,0]=4 7695 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [1,1,0,0,0,0|2,0,0]=4 7696 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [1,1,0,0,0,0|2,0,0]=4 7697 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [1,1,0,0,0,0|2,0,0]=4 7698 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [1,1,0,0,0,0|2,0,0]=4 7699 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 7700 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [1,1,0,0,0,0|1,0,1]=4 7701 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [1,1,0,0,0,0|1,0,1]=4 7702 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [1,1,0,0,0,0|0,0,1]=3 7703 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [1,1,0,0,0,0|1,0,1]=4 7704 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [1,1,0,0,0,0|1,0,1]=4 7705 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 7706 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [1,1,0,0,0,0|1,0,1]=4 7707 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [1,1,0,0,0,0|1,0,1]=4 7708 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [1,1,0,0,0,0|1,0,1]=4 7709 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [1,1,0,0,0,0|0,0,0]=2 7710 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [1,1,0,0,0,0|0,0,0]=2 7711 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [1,1,0,0,0,0|1,0,0]=3 7712 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [1,1,0,0,0,0|1,0,0]=3 7713 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [1,1,0,0,0,0|1,0,0]=3 7714 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [1,1,0,0,0,0|1,0,0]=3 7715 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [1,1,0,0,0,0|1,0,0]=3 7716 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 7717 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 7718 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [1,1,0,0,0,0|1,0,0]=3 7719 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [1,1,0,0,0,0|2,0,0]=4 7720 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 7721 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [1,1,0,0,0,0|1,0,1]=4 7722 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [1,1,0,0,0,0|1,0,1]=4 7723 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [1,1,0,0,0,0|2,0,0]=4 7724 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [1,1,0,0,0,0|2,0,0]=4 7725 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [1,1,0,0,0,0|2,0,0]=4 7726 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [1,1,0,0,0,0|2,0,0]=4 7727 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [1,1,0,0,0,0|1,0,1]=4 7728 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [1,1,0,0,0,0|1,0,1]=4 7729 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [1,1,0,0,0,0|0,0,0]=2 7730 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [1,1,0,0,0,0|0,0,0]=2 7731 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [1,1,0,0,0,0|0,0,0]=2 7732 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [1,1,0,0,0,0|0,0,0]=2 7733 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [1,1,0,0,0,0|1,0,0]=3 7734 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [1,1,0,0,0,0|1,0,0]=3 7735 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [1,1,0,0,0,0|1,0,0]=3 7736 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [1,1,0,0,0,0|1,0,0]=3 7737 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [1,1,0,0,0,0|1,0,0]=3 7738 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [1,1,0,0,0,0|1,0,0]=3 7739 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [1,1,0,0,0,0|1,0,0]=3 7740 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [1,1,0,0,0,0|1,0,0]=3 7741 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [1,1,0,0,0,0|1,0,0]=3 7742 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [1,1,0,0,0,0|1,0,0]=3 7743 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [1,1,0,0,0,0|1,0,0]=3 7744 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [1,1,0,0,0,0|1,0,0]=3 7745 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [1,1,0,0,0,0|1,0,0]=3 7746 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [1,1,0,0,0,0|1,0,0]=3 7747 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [1,1,0,0,0,0|1,0,0]=3 7748 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [1,1,0,0,0,0|1,0,0]=3 7749 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [1,1,0,0,0,0|1,0,0]=3 7750 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 7751 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 7752 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 7753 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 7754 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [1,1,0,0,0,0|1,0,0]=3 7755 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [1,1,0,0,0,0|1,0,0]=3 7756 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [1,1,0,0,0,0|2,0,0]=4 7757 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [1,1,0,0,0,0|2,0,0]=4 7758 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [1,1,0,0,0,0|2,0,0]=4 7759 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [1,1,0,0,0,0|1,0,1]=4 7760 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [1,1,0,0,0,0|1,0,1]=4 7761 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [1,1,0,0,0,0|1,0,1]=4 7762 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 7763 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [1,1,0,0,0,0|1,0,1]=4 7764 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [1,1,0,0,0,0|1,0,1]=4 7765 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [1,1,0,0,0,0|1,0,1]=4 7766 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [1,1,0,0,0,0|1,0,1]=4 7767 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [1,1,0,0,0,0|1,0,1]=4 7768 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [1,1,0,0,0,0|0,0,0]=2 7769 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [1,1,0,0,0,0|0,0,0]=2 7770 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [1,1,0,0,0,0|1,0,0]=3 7771 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [1,1,0,0,0,0|1,0,0]=3 7772 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [1,1,0,0,0,0|1,0,0]=3 7773 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [1,1,0,0,0,0|2,0,0]=4 7774 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [1,1,0,0,0,0|2,0,0]=4 7775 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [1,1,0,0,0,0|0,0,0]=2 7776 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [1,1,0,0,0,0|0,0,0]=2 7777 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [1,1,0,0,0,0|1,0,1]=4 7778 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [1,1,0,0,0,0|1,0,1]=4 7779 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [1,1,0,0,0,0|1,0,1]=4 7780 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [1,1,0,0,0,0|2,0,0]=4 7781 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [1,1,0,0,0,0|1,0,0]=3 7782 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [1,1,0,0,0,0|2,0,0]=4 7783 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [1,1,0,0,0,0|2,0,0]=4 7784 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [1,1,0,0,0,0|2,0,0]=4 7785 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 7786 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [1,1,0,0,0,0|2,0,0]=4 7787 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [1,1,0,0,0,0|2,0,0]=4 7788 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [1,1,0,0,0,0|1,0,1]=4 7789 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [1,1,0,0,0,0|1,0,1]=4 7790 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [1,1,0,0,0,0|0,0,0]=2 7791 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [1,1,0,0,0,0|0,0,0]=2 7792 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [1,1,0,0,0,0|0,0,0]=2 7793 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [1,1,0,0,0,0|1,0,0]=3 7794 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [1,1,0,0,0,0|1,0,0]=3 7795 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [1,1,0,0,0,0|1,0,0]=3 7796 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [1,1,0,0,0,0|1,0,0]=3 7797 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [1,1,0,0,0,0|1,0,0]=3 7798 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 7799 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 7800 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 7801 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [1,1,0,0,0,0|1,0,0]=3 7802 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [1,1,0,0,0,0|1,0,0]=3 7803 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 7804 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [1,1,0,0,0,0|2,0,0]=4 7805 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [1,1,0,0,0,0|2,0,0]=4 7806 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [1,1,0,0,0,0|0,0,0]=2 7807 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [1,1,0,0,0,0|0,0,0]=2 7808 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 7809 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [1,1,0,0,0,0|1,0,1]=4 7810 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [1,1,0,0,0,0|1,0,1]=4 7811 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [1,1,0,0,0,0|1,0,1]=4 7812 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 7813 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [1,1,0,0,0,0|1,0,1]=4 7814 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 7815 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [1,1,0,0,0,0|2,0,0]=4 7816 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [1,1,0,0,0,0|1,0,1]=4 7817 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [1,1,0,0,0,0|1,0,1]=4 7818 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [1,1,0,0,0,0|0,0,0]=2 7819 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [1,1,0,0,0,0|0,0,0]=2 7820 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [1,1,0,0,0,0|0,0,0]=2 7821 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [1,1,0,0,0,0|1,0,0]=3 7822 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [1,1,0,0,0,0|1,0,0]=3 7823 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 7824 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 7825 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [1,1,0,0,0,0|1,0,0]=3 7826 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [1,1,0,0,0,0|1,0,0]=3 7827 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [1,1,0,0,0,0|1,0,0]=3 7828 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [1,1,0,0,0,0|2,0,0]=4 7829 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [1,1,0,0,0,0|2,0,0]=4 7830 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [1,1,0,0,0,0|2,0,0]=4 7831 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [1,1,0,0,0,0|0,0,0]=2 7832 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [1,1,0,0,0,0|0,0,0]=2 7833 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [1,1,0,0,0,0|1,0,1]=4 7834 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [1,1,0,0,0,0|1,0,1]=4 7835 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 7836 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [1,1,0,0,0,0|2,0,0]=4 7837 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 7838 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 7839 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [1,1,0,0,0,0|2,0,0]=4 7840 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [1,1,0,0,0,0|2,0,0]=4 7841 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 7842 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [1,1,0,0,0,0|2,0,0]=4 7843 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 7844 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [1,1,0,0,0,0|2,0,0]=4 7845 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [1,1,0,0,0,0|1,0,0]=3 7846 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [1,1,0,0,0,0|1,0,1]=4 7847 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [1,1,0,0,0,0|1,0,1]=4 7848 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [1,1,0,0,0,0|0,0,0]=2 7849 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [1,1,0,0,0,0|1,0,0]=3 7850 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [1,1,0,0,0,0|1,0,0]=3 7851 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [1,1,0,0,0,0|1,0,0]=3 7852 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [1,1,0,0,0,0|0,0,0]=2 7853 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 7854 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [1,1,0,0,0,0|1,0,1]=4 7855 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 7856 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [1,1,0,0,0,0|2,0,0]=4 7857 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [1,1,0,0,0,0|1,0,1]=4 7858 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [1,1,0,0,0,0|1,0,0]=3 7859 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [1,1,0,0,0,0|1,0,0]=3 7860 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [1,1,0,0,0,0|1,0,0]=3 7861 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [1,1,0,0,0,0|0,0,0]=2 7862 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [1,1,0,0,0,0|0,0,0]=2 7863 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [1,1,0,0,0,0|1,0,0]=3 7864 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [1,1,0,0,0,0|1,0,0]=3 7865 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [1,1,0,0,0,0|1,0,0]=3 7866 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [1,1,0,0,0,0|2,0,0]=4 7867 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [1,1,0,0,0,0|2,0,0]=4 7868 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [1,1,0,0,0,0|2,0,0]=4 7869 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [1,1,0,0,0,0|2,0,0]=4 7870 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [1,1,0,0,0,0|2,0,0]=4 7871 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [1,1,0,0,0,0|2,0,0]=4 7872 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [1,1,0,0,0,0|2,0,0]=4 7873 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [1,1,0,0,0,0|2,0,0]=4 7874 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [1,1,0,0,0,0|2,0,0]=4 7875 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [1,1,0,0,0,0|2,0,0]=4 7876 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [1,1,0,0,0,0|2,0,0]=4 7877 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [1,1,0,0,0,0|2,0,0]=4 7878 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [1,1,0,0,0,0|2,0,0]=4 7879 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 7880 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [1,1,0,0,0,0|2,0,0]=4 7881 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [1,1,0,0,0,0|2,0,0]=4 7882 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [1,1,0,0,0,0|2,0,0]=4 7883 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [1,1,0,0,0,0|2,0,0]=4 7884 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [1,1,0,0,0,0|2,0,0]=4 7885 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [1,1,0,0,0,0|2,0,0]=4 7886 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [1,1,0,0,0,0|2,0,0]=4 7887 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [1,1,0,0,0,0|2,0,0]=4 7888 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [1,1,0,0,0,0|2,0,0]=4 7889 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [1,1,0,0,0,0|2,0,0]=4 7890 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [1,1,0,0,0,0|2,0,0]=4 7891 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 7892 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 7893 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [1,1,0,0,0,0|2,0,0]=4 7894 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [1,1,0,0,0,0|2,0,0]=4 7895 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 7896 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [1,1,0,0,0,0|2,0,0]=4 7897 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [1,1,0,0,0,0|2,0,0]=4 7898 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [1,1,0,0,0,0|2,0,0]=4 7899 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [1,1,0,0,0,0|2,0,0]=4 7900 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [1,1,0,0,0,0|2,0,0]=4 7901 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [1,1,0,0,0,0|2,0,0]=4 7902 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [1,1,0,0,0,0|2,0,0]=4 7903 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [1,1,0,0,0,0|2,0,0]=4 7904 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [1,1,0,0,0,0|2,0,0]=4 7905 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [1,1,0,0,0,0|2,0,0]=4 7906 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [1,1,0,0,0,0|2,0,0]=4 7907 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 7908 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 7909 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 7910 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 7911 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [1,1,0,0,0,0|2,0,0]=4 7912 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [1,1,0,0,0,0|2,0,0]=4 7913 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 7914 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 7915 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 7916 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [1,1,0,0,0,0|2,0,0]=4 7917 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [1,1,0,0,0,0|2,0,0]=4 7918 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 7919 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 7920 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 7921 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 7922 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [1,1,0,0,0,0|2,0,0]=4 7923 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [1,1,0,0,0,0|2,0,0]=4 7924 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 7925 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 7926 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [1,1,0,0,0,0|2,0,0]=4 7927 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [1,1,0,0,0,0|2,0,0]=4 7928 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [1,1,0,0,0,0|2,0,0]=4 7929 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [1,1,0,0,0,0|2,0,0]=4 7930 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 7931 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 7932 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 7933 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 7934 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [1,1,0,0,0,0|2,0,0]=4 7935 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [1,1,0,0,0,0|2,0,0]=4 7936 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [1,1,0,0,0,0|0,0,2]=4 7937 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [1,1,0,0,0,0|0,0,0]=2 7938 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [1,1,0,0,0,0|0,0,2]=4 7939 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [1,1,0,0,0,0|0,0,2]=4 7940 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [1,1,0,0,0,0|0,0,0]=2 7941 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [1,1,0,0,0,0|0,0,0]=2 7942 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [1,1,0,0,0,0|0,0,0]=2 7943 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [1,1,0,0,0,0|0,0,0]=2 7944 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [1,1,0,0,0,0|0,0,0]=2 7945 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [1,1,0,0,0,0|0,0,0]=2 7946 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [1,1,0,0,0,0|0,0,0]=2 7947 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [1,1,0,0,0,0|0,0,0]=2 7948 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [1,1,0,0,0,0|1,0,0]=3 7949 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [1,1,0,0,0,0|0,0,0]=2 7950 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [1,1,0,0,0,0|0,0,0]=2 7951 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [1,1,0,0,0,0|1,0,0]=3 7952 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [1,1,0,0,0,0|1,0,0]=3 7953 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [1,1,0,0,0,0|1,0,0]=3 7954 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [1,1,0,0,0,0|1,0,0]=3 7955 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [1,1,0,0,0,0|1,0,0]=3 7956 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [1,1,0,0,0,0|1,0,0]=3 7957 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [1,1,0,0,0,0|1,0,0]=3 7958 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [1,1,0,0,0,0|1,0,1]=4 7959 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [1,1,0,0,0,0|1,0,1]=4 7960 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [1,1,0,0,0,0|1,0,1]=4 7961 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [1,1,0,0,0,0|1,0,1]=4 7962 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [1,1,0,0,0,0|1,0,0]=3 7963 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [1,1,0,0,0,0|1,0,0]=3 7964 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [1,1,0,0,0,0|1,0,0]=3 7965 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [1,1,0,0,0,0|1,0,0]=3 7966 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [1,1,0,0,0,0|1,0,0]=3 7967 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [1,1,0,0,0,0|1,0,0]=3 7968 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [1,1,0,0,0,0|1,0,0]=3 7969 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [1,1,0,0,0,0|1,0,0]=3 7970 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 7971 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [1,1,0,0,0,0|1,0,0]=3 7972 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [1,1,0,0,0,0|1,0,0]=3 7973 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [1,1,0,0,0,0|1,0,0]=3 7974 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [1,1,0,0,0,0|1,0,0]=3 7975 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [1,1,0,0,0,0|1,0,0]=3 7976 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [1,1,0,0,0,0|1,0,0]=3 7977 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [1,1,0,0,0,0|1,0,0]=3 7978 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 7979 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [1,1,0,0,0,0|1,0,0]=3 7980 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [1,1,0,0,0,0|1,0,0]=3 7981 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [1,1,0,0,0,0|1,0,0]=3 7982 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [1,1,0,0,0,0|1,0,0]=3 7983 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [1,1,0,0,0,0|2,0,0]=4 7984 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 7985 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [1,1,0,0,0,0|1,0,0]=3 7986 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [1,1,0,0,0,0|1,0,0]=3 7987 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [1,1,0,0,0,0|1,0,0]=3 7988 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [1,1,0,0,0,0|1,0,0]=3 7989 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [1,1,0,0,0,0|1,0,0]=3 7990 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [1,1,0,0,0,0|1,0,1]=4 7991 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [1,1,0,0,0,0|1,0,1]=4 7992 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [1,1,0,0,0,0|1,0,0]=3 7993 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [1,1,0,0,0,0|1,0,0]=3 7994 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [1,1,0,0,0,0|1,0,0]=3 7995 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [1,1,0,0,0,0|1,0,0]=3 7996 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [1,1,0,0,0,0|1,0,0]=3 7997 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [1,1,0,0,0,0|1,0,0]=3 7998 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [1,1,0,0,0,0|1,0,0]=3 7999 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [1,1,0,0,0,0|1,0,0]=3 8000 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [1,1,0,0,0,0|1,0,0]=3 8001 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [1,1,0,0,0,0|1,0,0]=3 8002 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [1,1,0,0,0,0|2,0,0]=4 8003 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [1,1,0,0,0,0|1,0,0]=3 8004 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [1,1,0,0,0,0|2,0,0]=4 8005 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [1,1,0,0,0,0|2,0,0]=4 8006 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [1,1,0,0,0,0|2,0,0]=4 8007 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [1,1,0,0,0,0|2,0,0]=4 8008 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [1,1,0,0,0,0|2,0,0]=4 8009 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [1,1,0,0,0,0|0,0,2]=4 8010 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [1,1,0,0,0,0|1,0,1]=4 8011 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [1,1,0,0,0,0|1,0,0]=3 8012 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [1,1,0,0,0,0|1,0,0]=3 8013 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [1,1,0,0,0,0|1,0,0]=3 8014 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [1,1,0,0,0,0|0,0,0]=2 8015 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [1,1,0,0,0,0|0,0,0]=2 8016 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [1,1,0,0,0,0|2,0,0]=4 8017 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 8018 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [1,1,0,0,0,0|2,0,0]=4 8019 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 8020 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [1,1,0,0,0,0|2,0,0]=4 8021 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 8022 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [1,1,0,0,0,0|2,0,0]=4 8023 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 8024 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [1,1,0,0,0,0|2,0,0]=4 8025 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [1,1,0,0,0,0|1,0,0]=3 8026 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [1,1,0,0,0,0|2,0,0]=4 8027 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [1,1,0,0,0,0|2,0,0]=4 8028 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [1,1,0,0,0,0|2,0,0]=4 8029 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [1,1,0,0,0,0|2,0,0]=4 8030 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [1,1,0,0,0,0|2,0,0]=4 8031 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [1,1,0,0,0,0|2,0,0]=4 8032 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [1,1,0,0,0,0|2,0,0]=4 8033 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [1,1,0,0,0,0|2,0,0]=4 8034 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [1,1,0,0,0,0|1,0,0]=3 8035 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [1,1,0,0,0,0|1,0,0]=3 8036 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [1,1,0,0,0,0|2,0,0]=4 8037 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 8038 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 8039 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 8040 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [1,1,0,0,0,0|2,0,0]=4 8041 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 8042 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 8043 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 8044 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [1,1,0,0,0,0|2,0,0]=4 8045 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 8046 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [1,1,0,0,0,0|2,0,0]=4 8047 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [1,1,0,0,0,0|2,0,0]=4 8048 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [1,1,0,0,0,0|2,0,0]=4 8049 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [1,1,0,0,0,0|1,0,1]=4 8050 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [1,1,0,0,0,0|1,0,0]=3 8051 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [1,1,0,0,0,0|1,0,0]=3 8052 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [1,1,0,0,0,0|2,0,0]=4 8053 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 8054 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [1,1,0,0,0,0|2,0,0]=4 8055 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 8056 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 8057 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 8058 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [1,1,0,0,0,0|2,0,0]=4 8059 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [1,1,0,0,0,0|1,0,1]=4 8060 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [1,1,0,0,0,0|1,0,0]=3 8061 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [1,1,0,0,0,0|1,0,0]=3 8062 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [1,1,0,0,0,0|1,0,0]=3 8063 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [1,1,0,0,0,0|2,0,0]=4 8064 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 8065 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 8066 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [1,1,0,0,0,0|2,0,0]=4 8067 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [1,1,0,0,0,0|2,0,0]=4 8068 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 8069 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 8070 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [1,1,0,0,0,0|2,0,0]=4 8071 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [1,1,0,0,0,0|2,0,0]=4 8072 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [1,1,0,0,0,0|2,0,0]=4 8073 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [1,1,0,0,0,0|2,0,0]=4 8074 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [1,1,0,0,0,0|2,0,0]=4 8075 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [1,1,0,0,0,0|1,0,1]=4 8076 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [1,1,0,0,0,0|1,0,0]=3 8077 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [1,1,0,0,0,0|1,0,0]=3 8078 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [1,1,0,0,0,0|2,0,0]=4 8079 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 8080 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [1,1,0,0,0,0|2,0,0]=4 8081 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [1,1,0,0,0,0|2,0,0]=4 8082 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 8083 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 8084 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 8085 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [1,1,0,0,0,0|2,0,0]=4 8086 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [1,1,0,0,0,0|1,0,1]=4 8087 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [1,1,0,0,0,0|1,0,1]=4 8088 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [1,1,0,0,0,0|1,0,1]=4 8089 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [1,1,0,0,0,0|1,0,1]=4 8090 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [1,1,0,0,0,0|1,0,0]=3 8091 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [1,1,0,0,0,0|2,0,0]=4 8092 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [1,1,0,0,0,0|1,0,0]=3 8093 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [1,1,0,0,0,0|1,0,0]=3 8094 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [1,1,0,0,0,0|1,0,0]=3 8095 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [1,1,0,0,0,0|2,0,0]=4 8096 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [1,1,0,0,0,0|2,0,0]=4 8097 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [1,1,0,0,0,0|2,0,0]=4 8098 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [1,1,0,0,0,0|0,0,2]=4 8099 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [1,1,0,0,0,0|0,0,2]=4 8100 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [1,1,0,0,0,0|0,0,1]=3 8101 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [1,1,0,0,0,0|1,0,1]=4 8102 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [1,1,0,0,0,0|1,0,1]=4 8103 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 8104 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 8105 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [1,1,0,0,0,0|1,0,1]=4 8106 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [1,1,0,0,0,0|0,0,2]=4 8107 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [1,1,0,0,0,0|0,0,2]=4 8108 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [1,1,0,0,0,0|0,0,2]=4 8109 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [1,1,0,0,0,0|0,0,2]=4 8110 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [1,1,0,0,0,0|0,0,2]=4 8111 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [1,1,0,0,0,0|0,0,1]=3 8112 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [1,1,0,0,0,0|1,0,1]=4 8113 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [1,1,0,0,0,0|1,0,1]=4 8114 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [1,1,0,0,0,0|1,0,1]=4 8115 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [1,1,0,0,0,0|1,0,1]=4 8116 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [1,1,0,0,0,0|0,0,1]=3 8117 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [1,1,0,0,0,0|0,0,1]=3 8118 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [1,1,0,0,0,0|0,0,0]=2 8119 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [1,1,0,0,0,0|0,0,0]=2 8120 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [1,1,0,0,0,0|1,0,0]=3 8121 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [1,1,0,0,0,0|1,0,0]=3 8122 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [1,1,0,0,0,0|1,0,0]=3 8123 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [1,1,0,0,0,0|2,0,0]=4 8124 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [1,1,0,0,0,0|2,0,0]=4 8125 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [1,1,0,0,0,0|1,0,0]=3 8126 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 8127 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 8128 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 8129 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [1,1,0,0,0,0|1,0,0]=3 8130 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 8131 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [1,1,0,0,0,0|2,0,0]=4 8132 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 8133 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 8134 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 8135 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [1,1,0,0,0,0|2,0,0]=4 8136 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [1,1,0,0,0,0|1,0,1]=4 8137 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [1,1,0,0,0,0|1,0,1]=4 8138 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [1,1,0,0,0,0|1,0,0]=3 8139 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [1,1,0,0,0,0|1,0,0]=3 8140 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [1,1,0,0,0,0|1,0,0]=3 8141 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [1,1,0,0,0,0|1,0,0]=3 8142 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [1,1,0,0,0,0|1,0,0]=3 8143 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 8144 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 8145 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [1,1,0,0,0,0|1,0,0]=3 8146 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [1,1,0,0,0,0|2,0,0]=4 8147 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 8148 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [1,1,0,0,0,0|2,0,0]=4 8149 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [1,1,0,0,0,0|2,0,0]=4 8150 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [1,1,0,0,0,0|2,0,0]=4 8151 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 8152 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 8153 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 8154 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [1,1,0,0,0,0|2,0,0]=4 8155 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 8156 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 8157 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 8158 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [1,1,0,0,0,0|2,0,0]=4 8159 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 8160 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 8161 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 8162 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [1,1,0,0,0,0|2,0,0]=4 8163 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [1,1,0,0,0,0|2,0,0]=4 8164 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 8165 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 8166 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [1,1,0,0,0,0|2,0,0]=4 8167 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [1,1,0,0,0,0|2,0,0]=4 8168 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [1,1,0,0,0,0|1,0,0]=3 8169 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [1,1,0,0,0,0|1,0,0]=3 8170 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [1,1,0,0,0,0|1,0,0]=3 8171 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [1,1,0,0,0,0|1,0,0]=3 8172 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [1,1,0,0,0,0|1,0,0]=3 8173 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [1,1,0,0,0,0|1,0,0]=3 8174 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [1,1,0,0,0,0|1,0,0]=3 8175 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [1,1,0,0,0,0|2,0,0]=4 8176 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [1,1,0,0,0,0|2,0,0]=4 8177 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 8178 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 8179 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [1,1,0,0,0,0|2,0,0]=4 8180 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [1,1,0,0,0,0|1,0,1]=4 8181 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 8182 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 8183 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [1,1,0,0,0,0|2,0,0]=4 8184 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [1,1,0,0,0,0|1,0,0]=3 8185 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [1,1,0,0,0,0|1,0,1]=4 8186 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [1,1,0,0,0,0|1,0,1]=4 8187 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [1,1,0,0,0,0|1,0,1]=4 8188 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [1,1,0,0,0,0|1,0,1]=4 8189 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [1,1,0,0,0,0|1,0,1]=4 8190 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [1,1,0,0,0,0|1,0,1]=4 8191 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [1,1,0,0,0,0|1,0,1]=4 8192 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [1,1,0,0,0,0|1,0,1]=4 8193 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [1,1,0,0,0,0|1,0,1]=4 8194 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [1,1,0,0,0,0|1,0,0]=3 8195 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [1,1,0,0,0,0|1,0,0]=3 8196 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [1,1,0,0,0,0|2,0,0]=4 8197 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [1,1,0,0,0,0|2,0,0]=4 8198 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [1,1,0,0,0,0|2,0,0]=4 8199 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [1,1,0,0,0,0|2,0,0]=4 8200 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [1,1,0,0,0,0|2,0,0]=4 8201 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [1,1,0,0,0,0|2,0,0]=4 8202 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [1,1,0,0,0,0|2,0,0]=4 8203 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [1,1,0,0,0,0|2,0,0]=4 8204 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [1,1,0,0,0,0|1,0,0]=3 8205 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [1,1,0,0,0,0|2,0,0]=4 8206 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [1,1,0,0,0,0|1,0,0]=3 8207 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [1,1,0,0,0,0|1,0,0]=3 8208 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [1,1,0,0,0,0|1,0,0]=3 8209 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [1,1,0,0,0,0|1,0,0]=3 8210 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [1,1,0,0,0,0|1,0,0]=3 8211 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [1,1,0,0,0,0|1,0,0]=3 8212 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [1,1,0,0,0,0|1,0,0]=3 8213 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [1,1,0,0,0,0|2,0,0]=4 8214 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [1,1,0,0,0,0|2,0,0]=4 8215 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [1,1,0,0,0,0|2,0,0]=4 8216 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [1,1,0,0,0,0|2,0,0]=4 8217 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [1,1,0,0,0,0|0,0,2]=4 8218 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [1,1,0,0,0,0|0,0,2]=4 8219 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [1,1,0,0,0,0|0,0,2]=4 8220 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [1,1,0,0,0,0|1,0,1]=4 8221 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [1,1,0,0,0,0|1,0,1]=4 8222 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [1,1,0,0,0,0|1,0,1]=4 8223 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [1,1,0,0,0,0|1,0,1]=4 8224 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [1,1,0,0,0,0|1,0,1]=4 8225 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [1,1,0,0,0,0|0,0,2]=4 8226 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [1,1,0,0,0,0|0,0,2]=4 8227 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [1,1,0,0,0,0|0,0,2]=4 8228 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [1,1,0,0,0,0|0,0,2]=4 8229 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [1,1,0,0,0,0|0,0,2]=4 8230 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [1,1,0,0,0,0|1,0,1]=4 8231 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [1,1,0,0,0,0|1,0,1]=4 8232 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [1,1,0,0,0,0|1,0,1]=4 8233 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [1,1,0,0,0,0|1,0,0]=3 8234 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [1,1,0,0,0,0|1,0,0]=3 8235 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [1,1,0,0,0,0|1,0,0]=3 8236 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [1,1,0,0,0,0|2,0,0]=4 8237 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [1,1,0,0,0,0|2,0,0]=4 8238 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [1,1,0,0,0,0|2,0,0]=4 8239 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [1,1,0,0,0,0|2,0,0]=4 8240 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [1,1,0,0,0,0|2,0,0]=4 8241 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [1,1,0,0,0,0|1,0,1]=4 8242 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [1,1,0,0,0,0|1,0,0]=3 8243 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [1,1,0,0,0,0|2,0,0]=4 8244 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [1,1,0,0,0,0|0,0,2]=4 8245 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [1,1,0,0,0,0|0,0,2]=4 8246 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [1,1,0,0,0,0|0,0,2]=4 8247 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [1,1,0,0,0,0|0,0,2]=4 8248 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [1,1,0,0,0,0|0,0,1]=3 8249 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [1,1,0,0,0,0|1,0,1]=4 8250 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [1,1,0,0,0,0|0,0,0]=2 8251 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [1,1,0,0,0,0|0,0,0]=2 8252 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [1,1,0,0,0,0|0,0,0]=2 8253 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [1,1,0,0,0,0|1,0,0]=3 8254 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [1,1,0,0,0,0|2,0,0]=4 8255 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [1,1,0,0,0,0|1,0,1]=4 8256 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [1,1,0,0,0,0|1,0,1]=4 8257 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [1,1,0,0,0,0|1,0,1]=4 8258 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [1,1,0,0,0,0|1,0,0]=3 8259 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [1,1,0,0,0,0|1,0,1]=4 8260 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [1,1,0,0,0,0|1,0,0]=3 8261 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [1,1,0,0,0,0|1,0,0]=3 8262 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [1,1,0,0,0,0|1,0,0]=3 8263 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [1,1,0,0,0,0|1,0,0]=3 8264 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [1,1,0,0,0,0|1,0,0]=3 8265 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [1,1,0,0,0,0|1,0,0]=3 8266 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [1,1,0,0,0,0|1,0,0]=3 8267 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [1,1,0,0,0,0|1,0,0]=3 8268 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [1,1,0,0,0,0|2,0,0]=4 8269 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [1,1,0,0,0,0|2,0,0]=4 8270 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [1,1,0,0,0,0|1,0,0]=3 8271 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [1,1,0,0,0,0|1,0,0]=3 8272 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 8273 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 8274 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 8275 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [1,1,0,0,0,0|1,0,0]=3 8276 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [1,1,0,0,0,0|1,0,0]=3 8277 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [1,1,0,0,0,0|1,0,0]=3 8278 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [1,1,0,0,0,0|2,0,0]=4 8279 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [1,1,0,0,0,0|2,0,0]=4 8280 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [1,1,0,0,0,0|2,0,0]=4 8281 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [1,1,0,0,0,0|2,0,0]=4 8282 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [1,1,0,0,0,0|2,0,0]=4 8283 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [1,1,0,0,0,0|2,0,0]=4 8284 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [1,1,0,0,0,0|2,0,0]=4 8285 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [1,1,0,0,0,0|2,0,0]=4 8286 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 8287 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [1,1,0,0,0,0|2,0,0]=4 8288 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [1,1,0,0,0,0|2,0,0]=4 8289 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [1,1,0,0,0,0|2,0,0]=4 8290 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [1,1,0,0,0,0|1,0,1]=4 8291 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [1,1,0,0,0,0|1,0,1]=4 8292 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 8293 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 8294 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [1,1,0,0,0,0|1,0,0]=3 8295 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [1,1,0,0,0,0|1,0,0]=3 8296 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 8297 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [1,1,0,0,0,0|2,0,0]=4 8298 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [1,1,0,0,0,0|2,0,0]=4 8299 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [1,1,0,0,0,0|2,0,0]=4 8300 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [1,1,0,0,0,0|2,0,0]=4 8301 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [1,1,0,0,0,0|2,0,0]=4 8302 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 8303 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [1,1,0,0,0,0|2,0,0]=4 8304 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [1,1,0,0,0,0|2,0,0]=4 8305 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [1,1,0,0,0,0|2,0,0]=4 8306 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 8307 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [1,1,0,0,0,0|2,0,0]=4 8308 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [1,1,0,0,0,0|2,0,0]=4 8309 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [1,1,0,0,0,0|2,0,0]=4 8310 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [1,1,0,0,0,0|2,0,0]=4 8311 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 8312 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 8313 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [1,1,0,0,0,0|2,0,0]=4 8314 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [1,1,0,0,0,0|2,0,0]=4 8315 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [1,1,0,0,0,0|2,0,0]=4 8316 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [1,1,0,0,0,0|2,0,0]=4 8317 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [1,1,0,0,0,0|2,0,0]=4 8318 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [1,1,0,0,0,0|2,0,0]=4 8319 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [1,1,0,0,0,0|2,0,0]=4 8320 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [1,1,0,0,0,0|2,0,0]=4 8321 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [1,1,0,0,0,0|2,0,0]=4 8322 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [1,1,0,0,0,0|2,0,0]=4 8323 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [1,1,0,0,0,0|2,0,0]=4 8324 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 8325 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 8326 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 8327 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 8328 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [1,1,0,0,0,0|2,0,0]=4 8329 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [1,1,0,0,0,0|2,0,0]=4 8330 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 8331 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 8332 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [1,1,0,0,0,0|2,0,0]=4 8333 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [1,1,0,0,0,0|2,0,0]=4 8334 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [1,1,0,0,0,0|0,0,1]=3 8335 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [1,1,0,0,0,0|0,0,1]=3 8336 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [1,1,0,0,0,0|0,0,1]=3 8337 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 8338 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [1,1,0,0,0,0|1,0,0]=3 8339 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [1,1,0,0,0,0|1,0,1]=4 8340 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [1,1,0,0,0,0|1,0,0]=3 8341 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [1,1,0,0,0,0|1,0,0]=3 8342 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [1,1,0,0,0,0|1,0,0]=3 8343 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [1,1,0,0,0,0|1,0,0]=3 8344 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [1,1,0,0,0,0|1,0,0]=3 8345 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 8346 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [1,1,0,0,0,0|1,0,0]=3 8347 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 8348 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [1,1,0,0,0,0|1,0,0]=3 8349 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [1,1,0,0,0,0|2,0,0]=4 8350 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [1,1,0,0,0,0|1,0,1]=4 8351 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [1,1,0,0,0,0|1,0,0]=3 8352 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [1,1,0,0,0,0|1,0,0]=3 8353 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [1,1,0,0,0,0|1,0,0]=3 8354 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [1,1,0,0,0,0|2,0,0]=4 8355 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [1,1,0,0,0,0|1,0,0]=3 8356 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [1,1,0,0,0,0|1,0,0]=3 8357 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [1,1,0,0,0,0|1,0,0]=3 8358 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [1,1,0,0,0,0|1,0,0]=3 8359 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [1,1,0,0,0,0|1,0,0]=3 8360 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [1,1,0,0,0,0|1,0,0]=3 8361 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [1,1,0,0,0,0|2,0,0]=4 8362 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [1,1,0,0,0,0|2,0,0]=4 8363 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [1,1,0,0,0,0|1,0,0]=3 8364 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [1,1,0,0,0,0|1,0,0]=3 8365 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [1,1,0,0,0,0|1,0,1]=4 8366 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [1,1,0,0,0,0|2,0,0]=4 8367 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [1,1,0,0,0,0|2,0,0]=4 8368 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 8369 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [1,1,0,0,0,0|1,0,1]=4 8370 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [1,1,0,0,0,0|2,0,0]=4 8371 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [1,1,0,0,0,0|2,0,0]=4 8372 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [1,1,0,0,0,0|2,0,0]=4 8373 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [1,1,0,0,0,0|1,0,1]=4 8374 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [1,1,0,0,0,0|1,0,0]=3 8375 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [1,1,0,0,0,0|1,0,0]=3 8376 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [1,1,0,0,0,0|2,0,0]=4 8377 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [1,1,0,0,0,0|2,0,0]=4 8378 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [1,1,0,0,0,0|2,0,0]=4 8379 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 8380 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 8381 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 8382 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [1,1,0,0,0,0|2,0,0]=4 8383 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [1,1,0,0,0,0|2,0,0]=4 8384 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [1,1,0,0,0,0|2,0,0]=4 8385 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [1,1,0,0,0,0|1,0,1]=4 8386 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [1,1,0,0,0,0|1,0,0]=3 8387 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [1,1,0,0,0,0|1,0,0]=3 8388 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [1,1,0,0,0,0|2,0,0]=4 8389 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [1,1,0,0,0,0|2,0,0]=4 8390 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [1,1,0,0,0,0|2,0,0]=4 8391 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 8392 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 8393 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 8394 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [1,1,0,0,0,0|2,0,0]=4 8395 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [1,1,0,0,0,0|2,0,0]=4 8396 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [1,1,0,0,0,0|2,0,0]=4 8397 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [1,1,0,0,0,0|0,0,2]=4 8398 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [1,1,0,0,0,0|0,0,2]=4 8399 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [1,1,0,0,0,0|0,0,2]=4 8400 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [1,1,0,0,0,0|0,0,2]=4 8401 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [1,1,0,0,0,0|0,0,1]=3 8402 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [1,1,0,0,0,0|1,0,1]=4 8403 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [1,1,0,0,0,0|1,0,1]=4 8404 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [1,1,0,0,0,0|1,0,1]=4 8405 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [1,1,0,0,0,0|1,0,1]=4 8406 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [1,1,0,0,0,0|1,0,1]=4 8407 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [1,1,0,0,0,0|1,0,1]=4 8408 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [1,1,0,0,0,0|1,0,1]=4 8409 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [1,1,0,0,0,0|0,0,2]=4 8410 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [1,1,0,0,0,0|0,0,2]=4 8411 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [1,1,0,0,0,0|0,0,2]=4 8412 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [1,1,0,0,0,0|0,0,2]=4 8413 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [1,1,0,0,0,0|0,0,2]=4 8414 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [1,1,0,0,0,0|1,0,1]=4 8415 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [1,1,0,0,0,0|1,0,1]=4 8416 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [1,1,0,0,0,0|1,0,0]=3 8417 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [1,1,0,0,0,0|1,0,0]=3 8418 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [1,1,0,0,0,0|1,0,0]=3 8419 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [1,1,0,0,0,0|2,0,0]=4 8420 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 8421 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 8422 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 8423 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [1,1,0,0,0,0|2,0,0]=4 8424 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [1,1,0,0,0,0|2,0,0]=4 8425 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [1,1,0,0,0,0|2,0,0]=4 8426 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [1,1,0,0,0,0|2,0,0]=4 8427 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [1,1,0,0,0,0|2,0,0]=4 8428 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [1,1,0,0,0,0|2,0,0]=4 8429 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [1,1,0,0,0,0|2,0,0]=4 8430 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [1,1,0,0,0,0|2,0,0]=4 8431 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [1,1,0,0,0,0|2,0,0]=4 8432 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 8433 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [1,1,0,0,0,0|2,0,0]=4 8434 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [1,1,0,0,0,0|2,0,0]=4 8435 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [1,1,0,0,0,0|2,0,0]=4 8436 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [1,1,0,0,0,0|2,0,0]=4 8437 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [1,1,0,0,0,0|2,0,0]=4 8438 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [1,1,0,0,0,0|1,0,1]=4 8439 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [1,1,0,0,0,0|1,0,0]=3 8440 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [1,1,0,0,0,0|2,0,0]=4 8441 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [1,1,0,0,0,0|0,0,2]=4 8442 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [1,1,0,0,0,0|0,0,2]=4 8443 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [1,1,0,0,0,0|0,0,2]=4 8444 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [1,1,0,0,0,0|0,0,2]=4 8445 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [1,1,0,0,0,0|0,0,2]=4 8446 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [1,1,0,0,0,0|0,0,2]=4 8447 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [1,1,0,0,0,0|0,0,2]=4 8448 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [1,1,0,0,0,0|0,0,2]=4 8449 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [1,1,0,0,0,0|0,0,2]=4 8450 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [1,1,0,0,0,0|0,0,2]=4 8451 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [1,1,0,0,0,0|0,0,2]=4 8452 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [1,1,0,0,0,0|0,0,2]=4 8453 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [1,1,0,0,0,0|0,0,2]=4 8454 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [1,1,0,0,0,0|0,0,1]=3 8455 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [1,1,0,0,0,0|1,0,1]=4 8456 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [1,1,0,0,0,0|1,0,1]=4 8457 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [1,1,0,0,0,0|1,0,1]=4 8458 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [1,1,0,0,0,0|0,0,0]=2 8459 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [1,1,0,0,0,0|0,0,0]=2 8460 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [1,1,0,0,0,0|0,0,0]=2 8461 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [1,1,0,0,0,0|1,0,0]=3 8462 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [1,1,0,0,0,0|1,0,0]=3 8463 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [1,1,0,0,0,0|1,0,0]=3 8464 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [1,1,0,0,0,0|1,0,0]=3 8465 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [1,1,0,0,0,0|0,0,0]=2 8466 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [1,1,0,0,0,0|2,0,0]=4 8467 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [1,1,0,0,0,0|1,0,0]=3 8468 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 8469 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 8470 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 8471 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [1,1,0,0,0,0|1,0,0]=3 8472 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [1,1,0,0,0,0|1,0,1]=4 8473 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 8474 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [1,1,0,0,0,0|1,0,1]=4 8475 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [1,1,0,0,0,0|2,0,0]=4 8476 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [1,1,0,0,0,0|2,0,0]=4 8477 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [1,1,0,0,0,0|2,0,0]=4 8478 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [1,1,0,0,0,0|2,0,0]=4 8479 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [1,1,0,0,0,0|2,0,0]=4 8480 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [1,1,0,0,0,0|2,0,0]=4 8481 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [1,1,0,0,0,0|2,0,0]=4 8482 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [1,1,0,0,0,0|2,0,0]=4 8483 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [1,1,0,0,0,0|2,0,0]=4 8484 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [1,1,0,0,0,0|2,0,0]=4 8485 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [1,1,0,0,0,0|2,0,0]=4 8486 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [1,1,0,0,0,0|1,0,1]=4 8487 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 8488 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 8489 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 8490 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [1,1,0,0,0,0|1,0,0]=3 8491 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 8492 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [1,1,0,0,0,0|2,0,0]=4 8493 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [1,1,0,0,0,0|2,0,0]=4 8494 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 8495 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [1,1,0,0,0,0|2,0,0]=4 8496 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [1,1,0,0,0,0|2,0,0]=4 8497 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [1,1,0,0,0,0|2,0,0]=4 8498 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [1,1,0,0,0,0|2,0,0]=4 8499 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [1,1,0,0,0,0|2,0,0]=4 8500 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [1,1,0,0,0,0|1,0,0]=3 8501 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 8502 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 8503 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 8504 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [1,1,0,0,0,0|2,0,0]=4 8505 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 8506 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 8507 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 8508 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [1,1,0,0,0,0|2,0,0]=4 8509 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [1,1,0,0,0,0|2,0,0]=4 8510 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [1,1,0,0,0,0|1,0,1]=4 8511 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [1,1,0,0,0,0|2,0,0]=4 8512 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [1,1,0,0,0,0|2,0,0]=4 8513 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [1,1,0,0,0,0|2,0,0]=4 8514 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [1,1,0,0,0,0|2,0,0]=4 8515 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [1,1,0,0,0,0|2,0,0]=4 8516 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [1,1,0,0,0,0|1,0,0]=3 8517 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [1,1,0,0,0,0|1,0,0]=3 8518 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [1,1,0,0,0,0|2,0,0]=4 8519 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 8520 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 8521 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 8522 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [1,1,0,0,0,0|2,0,0]=4 8523 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [1,1,0,0,0,0|2,0,0]=4 8524 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [1,1,0,0,0,0|1,0,0]=3 8525 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [1,1,0,0,0,0|1,0,0]=3 8526 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [1,1,0,0,0,0|1,0,0]=3 8527 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [1,1,0,0,0,0|2,0,0]=4 8528 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 8529 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 8530 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 8531 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [1,1,0,0,0,0|2,0,0]=4 8532 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [1,1,0,0,0,0|2,0,0]=4 8533 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [1,1,0,0,0,0|2,0,0]=4 8534 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [1,1,0,0,0,0|1,0,0]=3 8535 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [1,1,0,0,0,0|1,0,0]=3 8536 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [1,1,0,0,0,0|2,0,0]=4 8537 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [1,1,0,0,0,0|1,0,0]=3 8538 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [1,1,0,0,0,0|1,0,0]=3 8539 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [1,1,0,0,0,0|1,0,0]=3 8540 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [1,1,0,0,0,0|1,0,0]=3 8541 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [1,1,0,0,0,0|2,0,0]=4 8542 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [1,1,0,0,0,0|2,0,0]=4 8543 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [1,1,0,0,0,0|1,0,0]=3 8544 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [1,1,0,0,0,0|2,0,0]=4 8545 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 8546 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 8547 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 8548 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [1,1,0,0,0,0|2,0,0]=4 8549 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [1,1,0,0,0,0|1,0,0]=3 8550 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [1,1,0,0,0,0|1,0,0]=3 8551 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [1,1,0,0,0,0|1,0,0]=3 8552 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [1,1,0,0,0,0|2,0,0]=4 8553 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [1,1,0,0,0,0|2,0,0]=4 8554 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [1,1,0,0,0,0|1,0,0]=3 8555 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [1,1,0,0,0,0|2,0,0]=4 8556 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 8557 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 8558 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 8559 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [1,1,0,0,0,0|2,0,0]=4 8560 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [1,1,0,0,0,0|2,0,0]=4 8561 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [1,1,0,0,0,0|2,0,0]=4 8562 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [1,1,0,0,0,0|1,0,0]=3 8563 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [1,1,0,0,0,0|1,0,0]=3 8564 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [1,1,0,0,0,0|2,0,0]=4 8565 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [1,1,0,0,0,0|2,0,0]=4 8566 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [1,1,0,0,0,0|2,0,0]=4 8567 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [1,1,0,0,0,0|2,0,0]=4 8568 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [1,1,0,0,0,0|1,0,0]=3 8569 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [1,1,0,0,0,0|1,0,0]=3 8570 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [1,1,0,0,0,0|1,0,0]=3 8571 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [1,1,0,0,0,0|2,0,0]=4 8572 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [1,1,0,0,0,0|2,0,0]=4 8573 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [1,1,0,0,0,0|1,0,0]=3 8574 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [1,1,0,0,0,0|2,0,0]=4 8575 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 8576 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 8577 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 8578 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [1,1,0,0,0,0|2,0,0]=4 8579 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 8580 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 8581 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [1,1,0,0,0,0|2,0,0]=4 8582 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [1,1,0,0,0,0|2,0,0]=4 8583 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [1,1,0,0,0,0|2,0,0]=4 8584 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [1,1,0,0,0,0|2,0,0]=4 8585 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [1,1,0,0,0,0|1,0,0]=3 8586 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [1,1,0,0,0,0|1,0,0]=3 8587 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [1,1,0,0,0,0|2,0,0]=4 8588 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 8589 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 8590 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 8591 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [1,1,0,0,0,0|2,0,0]=4 8592 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 8593 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 8594 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 8595 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [1,1,0,0,0,0|2,0,0]=4 8596 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [1,1,0,0,0,0|2,0,0]=4 8597 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [1,1,0,0,0,0|2,0,0]=4 8598 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [1,1,0,0,0,0|2,0,0]=4 8599 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [1,1,0,0,0,0|1,0,1]=4 8600 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [1,1,0,0,0,0|1,0,0]=3 8601 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [1,1,0,0,0,0|1,0,0]=3 8602 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [1,1,0,0,0,0|2,0,0]=4 8603 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [1,1,0,0,0,0|2,0,0]=4 8604 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [1,1,0,0,0,0|2,0,0]=4 8605 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [1,1,0,0,0,0|2,0,0]=4 8606 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [1,1,0,0,0,0|2,0,0]=4 8607 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [1,1,0,0,0,0|0,0,2]=4 8608 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [1,1,0,0,0,0|0,0,2]=4 8609 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [1,1,0,0,0,0|0,0,2]=4 8610 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [1,1,0,0,0,0|1,0,1]=4 8611 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [1,1,0,0,0,0|1,0,1]=4 8612 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [1,1,0,0,0,0|1,0,1]=4 8613 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [1,1,0,0,0,0|0,0,2]=4 8614 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [1,1,0,0,0,0|0,0,2]=4 8615 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [1,1,0,0,0,0|0,0,2]=4 8616 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [1,1,0,0,0,0|0,0,2]=4 8617 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [1,1,0,0,0,0|0,0,2]=4 8618 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [1,1,0,0,0,0|0,0,2]=4 8619 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [1,1,0,0,0,0|1,0,0]=3 8620 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 8621 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [1,1,0,0,0,0|2,0,0]=4 8622 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 8623 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 8624 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 8625 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [1,1,0,0,0,0|2,0,0]=4 8626 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 8627 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 8628 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 8629 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [1,1,0,0,0,0|2,0,0]=4 8630 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [1,1,0,0,0,0|1,0,1]=4 8631 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [1,1,0,0,0,0|1,0,1]=4 8632 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [1,1,0,0,0,0|1,0,1]=4 8633 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [1,1,0,0,0,0|0,0,0]=2 8634 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [1,1,0,0,0,0|0,0,0]=2 8635 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [1,1,0,0,0,0|1,0,0]=3 8636 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [1,1,0,0,0,0|1,0,0]=3 8637 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [1,1,0,0,0,0|1,0,0]=3 8638 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [1,1,0,0,0,0|1,0,0]=3 8639 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [1,1,0,0,0,0|1,0,0]=3 8640 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 8641 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 8642 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [1,1,0,0,0,0|1,0,0]=3 8643 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [1,1,0,0,0,0|2,0,0]=4 8644 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 8645 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [1,1,0,0,0,0|2,0,0]=4 8646 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [1,1,0,0,0,0|2,0,0]=4 8647 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [1,1,0,0,0,0|1,0,1]=4 8648 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [1,1,0,0,0,0|0,0,0]=2 8649 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [1,1,0,0,0,0|1,0,0]=3 8650 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [1,1,0,0,0,0|1,0,0]=3 8651 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 8652 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [1,1,0,0,0,0|1,0,0]=3 8653 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [1,1,0,0,0,0|2,0,0]=4 8654 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 8655 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 8656 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 8657 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [1,1,0,0,0,0|1,0,0]=3 8658 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [1,1,0,0,0,0|2,0,0]=4 8659 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 8660 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [1,1,0,0,0,0|2,0,0]=4 8661 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [1,1,0,0,0,0|2,0,0]=4 8662 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 8663 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 8664 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 8665 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [1,1,0,0,0,0|2,0,0]=4 8666 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [1,1,0,0,0,0|2,0,0]=4 8667 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 8668 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 8669 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 8670 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [1,1,0,0,0,0|2,0,0]=4 8671 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [1,1,0,0,0,0|2,0,0]=4 8672 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [1,1,0,0,0,0|2,0,0]=4 8673 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [1,1,0,0,0,0|2,0,0]=4 8674 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [1,1,0,0,0,0|2,0,0]=4 8675 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 8676 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [1,1,0,0,0,0|2,0,0]=4 8677 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [1,1,0,0,0,0|1,0,1]=4 8678 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 8679 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 8680 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [1,1,0,0,0,0|1,0,1]=4 8681 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 8682 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [1,1,0,0,0,0|2,0,0]=4 8683 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [1,1,0,0,0,0|1,1,0]=4 8684 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [1,1,0,0,0,0|2,0,0]=4 8685 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [1,1,0,0,0,0|1,0,0]=3 8686 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [1,1,0,0,0,0|1,0,0]=3 8687 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [1,1,0,0,0,0|1,0,0]=3 8688 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [1,1,0,0,0,0|2,0,0]=4 8689 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [1,1,0,0,0,0|2,0,0]=4 8690 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [1,1,0,0,0,0|1,0,0]=3 8691 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [1,1,0,0,0,0|1,0,0]=3 8692 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [1,1,0,0,0,0|1,0,0]=3 8693 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [1,1,0,0,0,0|1,0,0]=3 8694 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [1,1,0,0,0,0|2,0,0]=4 8695 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [1,1,0,0,0,0|1,0,1]=4 8696 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [1,1,0,0,0,0|1,0,1]=4 8697 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [1,1,0,0,0,0|2,0,0]=4 8698 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [1,1,0,0,0,0|2,0,0]=4 8699 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [1,1,0,0,0,0|2,0,0]=4 8700 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 8701 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [1,1,0,0,0,0|2,0,0]=4 8702 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [1,1,0,0,0,0|2,0,0]=4 8703 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [1,1,0,0,0,0|2,0,0]=4 8704 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [1,1,0,0,0,0|2,0,0]=4 8705 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [1,1,0,0,0,0|2,0,0]=4 8706 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [1,1,0,0,0,0|2,0,0]=4 8707 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [1,1,0,0,0,0|2,0,0]=4 8708 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [1,1,0,0,0,0|2,0,0]=4 8709 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [1,1,0,0,0,0|2,0,0]=4 8710 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [1,1,0,0,0,0|2,0,0]=4 8711 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [1,1,0,0,0,0|2,0,0]=4 8712 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [1,1,0,0,0,0|2,0,0]=4 8713 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 8714 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [1,1,0,0,0,0|2,0,0]=4 8715 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [1,1,0,0,0,0|2,0,0]=4 8716 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [1,1,0,0,0,0|2,0,0]=4 8717 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [1,1,0,0,0,0|2,0,0]=4 8718 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [1,1,0,0,0,0|2,0,0]=4 8719 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [1,1,0,0,0,0|2,0,0]=4 8720 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [1,1,0,0,0,0|2,0,0]=4 8721 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [1,1,0,0,0,0|2,0,0]=4 8722 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [1,1,0,0,0,0|2,0,0]=4 8723 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [1,1,0,0,0,0|2,0,0]=4 8724 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [1,1,0,0,0,0|2,0,0]=4 8725 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [1,1,0,0,0,0|2,0,0]=4 8726 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [1,1,0,0,0,0|2,0,0]=4 8727 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 8728 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [1,1,0,0,0,0|1,0,1]=4 8729 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 8730 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [1,1,0,0,0,0|1,0,1]=4 8731 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 8732 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [1,1,0,0,0,0|1,0,1]=4 8733 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [1,1,0,0,0,0|1,0,1]=4 8734 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [1,1,0,0,0,0|0,0,2]=4 8735 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [1,1,0,0,0,0|0,0,2]=4 8736 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [1,1,0,0,0,0|0,0,2]=4 8737 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [1,1,0,0,0,0|0,0,2]=4 8738 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [1,1,0,0,0,0|2,0,0]=4 8739 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [1,1,0,0,0,0|2,0,0]=4 8740 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [1,1,0,0,0,0|2,0,0]=4 8741 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [1,1,0,0,0,0|2,0,0]=4 8742 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [1,1,0,0,0,0|2,0,0]=4 8743 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [1,1,0,0,0,0|0,0,2]=4 8744 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [1,1,0,0,0,0|0,0,2]=4 8745 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [1,1,0,0,0,0|0,0,2]=4 8746 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [1,1,0,0,0,0|0,0,2]=4 8747 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [1,1,0,0,0,0|0,0,2]=4 8748 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [1,1,0,0,0,0|0,0,2]=4 8749 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [1,1,0,0,0,0|0,0,2]=4 8750 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [1,1,0,0,0,0|0,0,2]=4 8751 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [1,1,0,0,0,0|0,0,2]=4 8752 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [1,1,0,0,0,0|0,0,2]=4 8753 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [1,1,0,0,0,0|0,0,2]=4 8754 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [1,1,0,0,0,0|0,0,2]=4 8755 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [1,1,0,0,0,0|0,0,2]=4 8756 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [1,1,0,0,0,0|0,0,2]=4 8757 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [1,1,0,0,0,0|1,0,1]=4 8758 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [1,1,0,0,0,0|1,0,1]=4 8759 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [1,1,0,0,0,0|1,0,0]=3 8760 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [1,1,0,0,0,0|1,0,0]=3 8761 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [1,1,0,0,0,0|1,0,0]=3 8762 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [1,1,0,0,0,0|1,0,0]=3 8763 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [1,1,0,0,0,0|1,0,0]=3 8764 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [1,1,0,0,0,0|1,0,0]=3 8765 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [1,1,0,0,0,0|2,0,0]=4 8766 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 8767 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 8768 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 8769 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [1,1,0,0,0,0|2,0,0]=4 8770 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 8771 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [1,1,0,0,0,0|2,0,0]=4 8772 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 8773 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 8774 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [1,1,0,0,0,0|2,0,0]=4 8775 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 8776 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 8777 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 8778 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [1,1,0,0,0,0|2,0,0]=4 8779 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [1,1,0,0,0,0|1,0,1]=4 8780 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [1,1,0,0,0,0|1,0,0]=3 8781 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [1,1,0,0,0,0|1,0,0]=3 8782 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [1,1,0,0,0,0|1,0,0]=3 8783 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [1,1,0,0,0,0|2,0,0]=4 8784 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [1,1,0,0,0,0|2,0,0]=4 8785 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [1,1,0,0,0,0|2,0,0]=4 8786 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [1,1,0,0,0,0|2,0,0]=4 8787 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [1,1,0,0,0,0|0,0,2]=4 8788 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [1,1,0,0,0,0|0,0,2]=4 8789 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [1,1,0,0,0,0|1,0,1]=4 8790 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [1,1,0,0,0,0|1,0,1]=4 8791 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [1,1,0,0,0,0|1,0,1]=4 8792 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [1,1,0,0,0,0|0,0,0]=2 8793 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [1,1,0,0,0,0|0,0,0]=2 8794 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [1,1,0,0,0,0|1,0,0]=3 8795 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [1,1,0,0,0,0|1,0,0]=3 8796 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [1,1,0,0,0,0|0,0,0]=2 8797 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [1,1,0,0,0,0|1,0,0]=3 8798 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 8799 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 8800 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 8801 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [1,1,0,0,0,0|1,0,0]=3 8802 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 8803 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [1,1,0,0,0,0|2,0,0]=4 8804 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [1,1,0,0,0,0|2,0,0]=4 8805 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [1,1,0,0,0,0|2,0,0]=4 8806 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 8807 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 8808 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 8809 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [1,1,0,0,0,0|1,0,0]=3 8810 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 8811 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [1,1,0,0,0,0|2,0,0]=4 8812 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [1,1,0,0,0,0|2,0,0]=4 8813 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 8814 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 8815 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 8816 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [1,1,0,0,0,0|2,0,0]=4 8817 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [1,1,0,0,0,0|2,0,0]=4 8818 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 8819 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 8820 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 8821 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [1,1,0,0,0,0|2,0,0]=4 8822 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [1,1,0,0,0,0|2,0,0]=4 8823 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [1,1,0,0,0,0|2,0,0]=4 8824 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [1,1,0,0,0,0|2,0,0]=4 8825 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [1,1,0,0,0,0|2,0,0]=4 8826 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [1,1,0,0,0,0|1,0,0]=3 8827 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [1,1,0,0,0,0|2,0,0]=4 8828 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 8829 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [1,1,0,0,0,0|2,0,0]=4 8830 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [1,1,0,0,0,0|2,0,0]=4 8831 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [1,1,0,0,0,0|2,0,0]=4 8832 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [1,1,0,0,0,0|2,0,0]=4 8833 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [1,1,0,0,0,0|2,0,0]=4 8834 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [1,1,0,0,0,0|2,0,0]=4 8835 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [1,1,0,0,0,0|2,0,0]=4 8836 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [1,1,0,0,0,0|2,0,0]=4 8837 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [1,1,0,0,0,0|2,0,0]=4 8838 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [1,1,0,0,0,0|2,0,0]=4 8839 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [1,1,0,0,0,0|2,0,0]=4 8840 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [1,1,0,0,0,0|2,0,0]=4 8841 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [1,1,0,0,0,0|2,0,0]=4 8842 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [1,1,0,0,0,0|2,0,0]=4 8843 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [1,1,0,0,0,0|2,0,0]=4 8844 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [1,1,0,0,0,0|1,0,0]=3 8845 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 8846 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 8847 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 8848 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [1,1,0,0,0,0|2,0,0]=4 8849 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [1,1,0,0,0,0|2,0,0]=4 8850 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [1,1,0,0,0,0|1,0,0]=3 8851 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 8852 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 8853 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 8854 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [1,1,0,0,0,0|2,0,0]=4 8855 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [1,1,0,0,0,0|2,0,0]=4 8856 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [1,1,0,0,0,0|2,0,0]=4 8857 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [1,1,0,0,0,0|2,0,0]=4 8858 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 8859 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 8860 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 8861 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [1,1,0,0,0,0|2,0,0]=4 8862 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 8863 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 8864 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 8865 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [1,1,0,0,0,0|2,0,0]=4 8866 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [1,1,0,0,0,0|1,0,0]=3 8867 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [1,1,0,0,0,0|1,0,0]=3 8868 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [1,1,0,0,0,0|2,0,0]=4 8869 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [1,1,0,0,0,0|2,0,0]=4 8870 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [1,1,0,0,0,0|1,0,0]=3 8871 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [1,1,0,0,0,0|2,0,0]=4 8872 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 8873 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 8874 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 8875 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [1,1,0,0,0,0|2,0,0]=4 8876 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [1,1,0,0,0,0|1,0,0]=3 8877 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [1,1,0,0,0,0|1,0,0]=3 8878 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [1,1,0,0,0,0|2,0,0]=4 8879 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [1,1,0,0,0,0|2,0,0]=4 8880 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [1,1,0,0,0,0|1,0,0]=3 8881 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [1,1,0,0,0,0|2,0,0]=4 8882 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 8883 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 8884 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 8885 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [1,1,0,0,0,0|2,0,0]=4 8886 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [1,1,0,0,0,0|2,0,0]=4 8887 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [1,1,0,0,0,0|2,0,0]=4 8888 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [1,1,0,0,0,0|2,0,0]=4 8889 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [1,1,0,0,0,0|2,0,0]=4 8890 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [1,1,0,0,0,0|2,0,0]=4 8891 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [1,1,0,0,0,0|2,0,0]=4 8892 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [1,1,0,0,0,0|2,0,0]=4 8893 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [1,1,0,0,0,0|2,0,0]=4 8894 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [1,1,0,0,0,0|2,0,0]=4 8895 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [1,1,0,0,0,0|0,0,2]=4 8896 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [1,1,0,0,0,0|0,0,2]=4 8897 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [1,1,0,0,0,0|1,0,1]=4 8898 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [1,1,0,0,0,0|1,0,0]=3 8899 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [1,1,0,0,0,0|1,0,0]=3 8900 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [1,1,0,0,0,0|2,0,0]=4 8901 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [1,1,0,0,0,0|2,0,0]=4 8902 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8903 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8904 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8905 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [1,1,0,0,0,0|2,0,0]=4 8906 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8907 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8908 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8909 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [1,1,0,0,0,0|2,0,0]=4 8910 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [1,1,0,0,0,0|2,0,0]=4 8911 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [1,1,0,0,0,0|2,0,0]=4 8912 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8913 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8914 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [1,1,0,0,0,0|2,0,0]=4 8915 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8916 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8917 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [1,1,0,0,0,0|2,0,0]=4 8918 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [1,1,0,0,0,0|1,0,1]=4 8919 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [1,1,0,0,0,0|1,0,1]=4 8920 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [1,1,0,0,0,0|0,0,0]=2 8921 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [1,1,0,0,0,0|1,0,0]=3 8922 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [1,1,0,0,0,0|1,0,0]=3 8923 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [1,1,0,0,0,0|1,0,1]=4 8924 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [1,1,0,0,0,0|1,0,0]=3 8925 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [1,1,0,0,0,0|2,0,0]=4 8926 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [1,1,0,0,0,0|1,0,0]=3 8927 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [1,1,0,0,0,0|2,0,0]=4 8928 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [1,1,0,0,0,0|1,0,0]=3 8929 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [1,1,0,0,0,0|1,0,0]=3 8930 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [1,1,0,0,0,0|2,0,0]=4 8931 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [1,1,0,0,0,0|2,0,0]=4 8932 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [1,1,0,0,0,0|2,0,0]=4 8933 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [1,1,0,0,0,0|2,0,0]=4 8934 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [1,1,0,0,0,0|2,0,0]=4 8935 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8936 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8937 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8938 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [1,1,0,0,0,0|1,0,0]=3 8939 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8940 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [1,1,0,0,0,0|2,0,0]=4 8941 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8942 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8943 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [1,1,0,0,0,0|1,0,0]=3 8944 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8945 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8946 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8947 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [1,1,0,0,0,0|2,0,0]=4 8948 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 8949 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [1,1,0,0,0,0|2,0,0]=4 8950 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 8951 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [1,1,0,0,0,0|2,0,0]=4 8952 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [1,1,0,0,0,0|2,0,0]=4 8953 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [1,1,0,0,0,0|1,0,1]=4 8954 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [1,1,0,0,0,0|2,0,0]=4 8955 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [1,1,0,0,0,0|2,0,0]=4 8956 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [1,1,0,0,0,0|2,0,0]=4 8957 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [1,1,0,0,0,0|2,0,0]=4 8958 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [1,1,0,0,0,0|1,0,1]=4 8959 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8960 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8961 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [1,1,0,0,0,0|1,0,0]=3 8962 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [1,1,0,0,0,0|1,0,0]=3 8963 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 8964 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [1,1,0,0,0,0|2,0,0]=4 8965 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [1,1,0,0,0,0|2,0,0]=4 8966 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8967 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8968 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [1,1,0,0,0,0|2,0,0]=4 8969 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [1,1,0,0,0,0|2,0,0]=4 8970 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [1,1,0,0,0,0|2,0,0]=4 8971 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [1,1,0,0,0,0|2,0,0]=4 8972 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [1,1,0,0,0,0|2,0,0]=4 8973 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [1,1,0,0,0,0|2,0,0]=4 8974 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8975 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8976 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8977 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8978 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [1,1,0,0,0,0|2,0,0]=4 8979 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [1,1,0,0,0,0|2,0,0]=4 8980 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 8981 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 8982 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [1,1,0,0,0,0|2,0,0]=4 8983 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [1,1,0,0,0,0|2,0,0]=4 8984 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [1,1,0,0,0,0|0,0,1]=3 8985 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [1,1,0,0,0,0|1,0,1]=4 8986 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [1,1,0,0,0,0|1,0,1]=4 8987 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 8988 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [1,1,0,0,0,0|1,0,1]=4 8989 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 8990 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [1,1,0,0,0,0|1,0,0]=3 8991 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [1,1,0,0,0,0|1,0,0]=3 8992 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [1,1,0,0,0,0|1,0,0]=3 8993 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [1,1,0,0,0,0|1,0,0]=3 8994 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [1,1,0,0,0,0|1,0,0]=3 8995 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [1,1,0,0,0,0|1,0,0]=3 8996 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [1,1,0,0,0,0|1,0,0]=3 8997 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 8998 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [1,1,0,0,0,0|1,0,0]=3 8999 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 9000 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [1,1,0,0,0,0|1,0,0]=3 9001 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [1,1,0,0,0,0|1,0,0]=3 9002 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [1,1,0,0,0,0|1,0,0]=3 9003 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [1,1,0,0,0,0|2,0,0]=4 9004 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 9005 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [1,1,0,0,0,0|1,0,0]=3 9006 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [1,1,0,0,0,0|1,0,1]=4 9007 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [1,1,0,0,0,0|1,0,0]=3 9008 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [1,1,0,0,0,0|2,0,0]=4 9009 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [1,1,0,0,0,0|1,0,0]=3 9010 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 9011 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [1,1,0,0,0,0|2,0,0]=4 9012 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [1,1,0,0,0,0|2,0,0]=4 9013 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [1,1,0,0,0,0|1,0,0]=3 9014 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [1,1,0,0,0,0|1,0,0]=3 9015 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [1,1,0,0,0,0|2,0,0]=4 9016 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [1,1,0,0,0,0|2,0,0]=4 9017 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [1,1,0,0,0,0|2,0,0]=4 9018 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [1,1,0,0,0,0|2,0,0]=4 9019 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [1,1,0,0,0,0|2,0,0]=4 9020 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [1,1,0,0,0,0|1,0,1]=4 9021 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [1,1,0,0,0,0|1,0,1]=4 9022 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [1,1,0,0,0,0|2,0,0]=4 9023 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [1,1,0,0,0,0|2,0,0]=4 9024 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 9025 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [1,1,0,0,0,0|2,0,0]=4 9026 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 9027 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [1,1,0,0,0,0|2,0,0]=4 9028 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [1,1,0,0,0,0|2,0,0]=4 9029 B10R0.16 C#CC(CCCC)OCCC 34a_200011217967_100000210303 [1,1,0,0,0,0|1,0,1]=4 9030 B10R0.16 C#CC(CCCC)OCCC 7a_200011217967_100000210303 [1,1,0,0,0,0|1,0,1]=4 9031 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [1,1,0,0,0,0|1,0,1]=4 9032 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [1,1,0,0,0,0|1,0,1]=4 9033 B10R0.16 CCCCC(CC)OCCC 34a_100000210258_200011216223 [1,1,0,0,0,0|1,0,1]=4 9034 B10R0.16 CCCCC(CC)OCCC 34a_100011215227_100000210303 [1,1,0,0,0,0|1,0,1]=4 9035 B10R0.16 CCCCC(CC)OCCC 7a_100011215227_100000210303 [1,1,0,0,0,0|1,0,1]=4 9036 B10R0.18 CCC#CC(=O)CC(C)CC 1458a_100011827653_100000748023 [1,1,0,0,0,0|1,0,1]=4 9037 B10R0.18 CCC#CC(=O)CC(O)CC 1458a_100011827653_100011218378 [1,1,0,0,0,0|1,0,1]=4 9038 B10R0.18 CCC#CC(=O)C[C@@H](C)CC 1458a_100011827653_100009816398 [1,1,0,0,0,0|1,0,1]=4 9039 B10R0.18 CCC(C)CC(=O)CCCF 1458a_100000708755_100011934791 [1,1,0,0,0,0|2,0,0]=4 9040 B10R0.18 CCC(C)CC(=O)CCCO 1458a_100000708755_100011215043 [1,1,0,0,0,0|2,0,0]=4 9041 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000708755_100000233755 [1,1,0,0,0,0|2,0,0]=4 9042 B10R0.18 CCC(C)CC(=O)CCOC 1458a_100000749529_100000748023 [1,1,0,0,0,0|2,0,0]=4 9043 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000174002_100000748023 [1,1,0,0,0,0|2,0,0]=4 9044 B10R0.18 CCC(C)CC(=O)CCSC 1458a_100000708755_100000751147 [1,1,0,0,0,0|2,0,0]=4 9045 B10R0.18 CCC(C)CC(=O)NCCF 11a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 9046 B10R0.18 CCC(C)CC(=O)NCCF 1626a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 9047 B10R0.18 CCC(C)CC(=O)NCCF 240690a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 9048 B10R0.18 CCC(C)CC(=O)NCCF 527a_100000724931_100000708755 [1,1,0,0,0,0|2,0,0]=4 9049 B10R0.18 CCC(C)CC(=O)NCCO 240690a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 9050 B10R0.18 CCC(C)CC(=O)NCCO 527a_100000210304_100000708755 [1,1,0,0,0,0|2,0,0]=4 9051 B10R0.18 CCC(C)NC(=O)CCOC 11a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 9052 B10R0.18 CCC(C)NC(=O)CCOC 1626a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 9053 B10R0.18 CCC(C)NC(=O)CCOC 240690a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 9054 B10R0.18 CCC(C)NC(=O)CCOC 527a_100000209981_100000749529 [1,1,0,0,0,0|2,0,0]=4 9055 B10R0.18 CCC(C)NC(=O)CCSC 11a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 9056 B10R0.18 CCC(C)NC(=O)CCSC 1626a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 9057 B10R0.18 CCC(C)NC(=O)CCSC 240690a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 9058 B10R0.18 CCC(C)NC(=O)CCSC 527a_100000209981_100000174002 [1,1,0,0,0,0|2,0,0]=4 9059 B10R0.18 CCC(O)CC(=O)CCCF 1458a_100011667805_100011934791 [1,1,0,0,0,0|2,0,0]=4 9060 B10R0.18 CCC(O)CC(=O)CCCO 1458a_100011667805_100011215043 [1,1,0,0,0,0|2,0,0]=4 9061 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100000749529_100011218378 [1,1,0,0,0,0|2,0,0]=4 9062 B10R0.18 CCC(O)CC(=O)CCOC 1458a_100011667805_100000233755 [1,1,0,0,0,0|2,0,0]=4 9063 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100000174002_100011218378 [1,1,0,0,0,0|2,0,0]=4 9064 B10R0.18 CCC(O)CC(=O)CCSC 1458a_100011667805_100000751147 [1,1,0,0,0,0|2,0,0]=4 9065 B10R0.18 CCC(O)CC(=O)NCCF 1626a_100000724931_100011667805 [1,1,0,0,0,0|2,0,0]=4 9066 B10R0.18 CCC(O)CC(=O)NCCF 240690a_100000724931_100011667805 [1,1,0,0,0,0|2,0,0]=4 9067 B10R0.18 CCC(O)CC(=O)NCCO 240690a_100000210304_100011667805 [1,1,0,0,0,0|2,0,0]=4 9068 B10R0.18 CCC=CC(=O)CC(C)CC 1458a_100000212282_100000748023 [1,1,0,0,0,0|1,0,1]=4 9069 B10R0.18 CCC=CC(=O)CC(O)CC 1458a_100000212282_100011218378 [1,1,0,0,0,0|1,0,1]=4 9070 B10R0.18 CCC=CC(=O)C[C@@H](C)CC 1458a_100000212282_100009816398 [1,1,0,0,0,0|1,0,1]=4 9071 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [1,1,0,0,0,0|1,0,1]=4 9072 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [1,1,0,0,0,0|1,0,1]=4 9073 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [1,1,0,0,0,0|1,0,0]=3 9074 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [1,1,0,0,0,0|1,0,0]=3 9075 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [1,1,0,0,0,0|1,0,0]=3 9076 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [1,1,0,0,0,0|1,0,0]=3 9077 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [1,1,0,0,0,0|2,0,0]=4 9078 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [1,1,0,0,0,0|1,0,0]=3 9079 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [1,1,0,0,0,0|2,0,0]=4 9080 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 9081 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 9082 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 9083 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [1,1,0,0,0,0|1,0,0]=3 9084 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [1,1,0,0,0,0|2,0,0]=4 9085 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [1,1,0,0,0,0|2,0,0]=4 9086 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [1,1,0,0,0,0|2,0,0]=4 9087 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [1,1,0,0,0,0|2,0,0]=4 9088 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [1,1,0,0,0,0|2,0,0]=4 9089 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [1,1,0,0,0,0|2,0,0]=4 9090 B10R0.18 CCCCC(C)OC(C)CC 34a_100000687866_100011215416 [1,1,0,0,0,0|1,0,1]=4 9091 B10R0.18 CCCCC(C)OC(C)CC 7a_100000210228_200011215066 [1,1,0,0,0,0|1,0,1]=4 9092 B10R0.18 CCCCC(C)OC(C)CC 7a_100000687866_100000758301 [1,1,0,0,0,0|1,0,1]=4 9093 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [1,1,0,0,0,0|1,0,1]=4 9094 B10R0.18 CCCNC(=O)CC(C)CC 11a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 9095 B10R0.18 CCCNC(=O)CC(C)CC 1626a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 9096 B10R0.18 CCCNC(=O)CC(C)CC 240690a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 9097 B10R0.18 CCCNC(=O)CC(C)CC 527a_100020643023_100000708755 [1,1,0,0,0,0|1,0,0]=3 9098 B10R0.18 CCCNC(=O)CC(O)CC 1626a_100020643023_100011667805 [1,1,0,0,0,0|1,0,0]=3 9099 B10R0.18 CCCNC(=O)CC(O)CC 240690a_100020643023_100011667805 [1,1,0,0,0,0|1,0,0]=3 9100 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 9101 B10R0.18 CCCNC(=O)CN(C)CC 2230a_100000684209_100000210202 [1,1,0,0,0,0|2,0,0]=4 9102 B10R0.18 CCCNC(=O)CN(C)CC 240690a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 9103 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000225621_100000183358 [1,1,0,0,0,0|2,0,0]=4 9104 B10R0.18 CCCNC(=O)CN(C)CC 269982a_100000684209_100000204670 [1,1,0,0,0,0|2,0,0]=4 9105 B10R0.18 CCCNC(=O)CN(C)CC 527a_100020643023_100116209913 [1,1,0,0,0,0|2,0,0]=4 9106 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 9107 B10R0.18 CCCNC(=O)NC(C)CC 2708a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 9108 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 9109 B10R0.18 CCCNC(=O)NC(C)CC 273464a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 9110 B10R0.18 CCCNC(=O)NC(C)CC 512a_100000209981_100020643023 [1,1,0,0,0,0|2,0,0]=4 9111 B10R0.18 CCCNC(=O)NC(C)CC 512a_100020643023_100000209981 [1,1,0,0,0,0|2,0,0]=4 9112 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [1,1,0,0,0,0|0,0,1]=3 9113 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [1,1,0,0,0,0|1,0,1]=4 9114 B10R0.18 CCCOC(=O)CN(C)CC 2230a_100000225621_200011215008 [1,1,0,0,0,0|1,0,0]=3 9115 B10R0.18 CCCOC(=O)CN(C)CC 269982a_100000225621_200011215008 [1,1,0,0,0,0|1,0,0]=3 9116 B10R0.18 CCNCC(=O)NC(C)CC 2230a_100015525214_100000182745 [1,1,0,0,0,0|2,0,0]=4 9117 B10R0.18 CCNNC(=O)CC(C)CC 22a_100000756455_100000708755 [1,1,0,0,0,0|2,0,0]=4 9118 B10R0.18 CCNNC(=O)CC(O)CC 22a_100000756455_100011667805 [1,1,0,0,0,0|2,0,0]=4 9119 B10R0.18 CCOCC(=O)CC(C)CC 1458a_100000211967_100000748023 [1,1,0,0,0,0|2,0,0]=4 9120 B10R0.18 CCOCC(=O)CC(O)CC 1458a_100000211967_100011218378 [1,1,0,0,0,0|2,0,0]=4 9121 B10R0.18 CCOCC(=O)C[C@@H](C)CC 1458a_100000211967_100009816398 [1,1,0,0,0,0|2,0,0]=4 9122 B10R0.18 CCOCC(=O)NC(C)CC 11a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 9123 B10R0.18 CCOCC(=O)NC(C)CC 1626a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 9124 B10R0.18 CCOCC(=O)NC(C)CC 240690a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 9125 B10R0.18 CCOCC(=O)NC(C)CC 34a_100121572206_100000182745 [1,1,0,0,0,0|2,0,0]=4 9126 B10R0.18 CCOCC(=O)NC(C)CC 527a_100000209981_100000211967 [1,1,0,0,0,0|2,0,0]=4 9127 B10R0.18 CCSCC(=O)CC(C)CC 1458a_100000230394_100000748023 [1,1,0,0,0,0|2,0,0]=4 9128 B10R0.18 CCSCC(=O)CC(O)CC 1458a_100000230394_100011218378 [1,1,0,0,0,0|2,0,0]=4 9129 B10R0.18 CCSCC(=O)C[C@@H](C)CC 1458a_100000230394_100009816398 [1,1,0,0,0,0|2,0,0]=4 9130 B10R0.18 CCSCC(=O)NC(C)CC 11a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 9131 B10R0.18 CCSCC(=O)NC(C)CC 1626a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 9132 B10R0.18 CCSCC(=O)NC(C)CC 240690a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 9133 B10R0.18 CCSCC(=O)NC(C)CC 527a_100000209981_100000230394 [1,1,0,0,0,0|2,0,0]=4 9134 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000182745_100000210202 [1,1,0,0,0,0|2,0,0]=4 9135 B10R0.18 CCSCC(=O)NC(C)CC 62a_100000210202_100000182745 [1,1,0,0,0,0|2,0,0]=4 9136 B10R0.18 CC[C@H](C)CC(=O)CCOC 1458a_100000749529_100009816398 [1,1,0,0,0,0|2,0,0]=4 9137 B10R0.18 CC[C@H](C)CC(=O)CCSC 1458a_100000174002_100009816398 [1,1,0,0,0,0|2,0,0]=4 9138 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [1,1,0,0,0,0|1,0,1]=4 9139 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [1,1,0,0,0,0|1,0,1]=4 9140 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [1,1,0,0,0,0|1,0,1]=4 9141 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [1,1,0,0,0,0|1,0,1]=4 9142 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [1,1,0,0,0,0|1,0,1]=4 9143 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [1,1,0,0,0,0|1,0,1]=4 9144 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [1,1,0,0,0,0|1,0,1]=4 9145 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [1,1,0,0,0,0|1,0,1]=4 9146 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [1,1,0,0,0,0|1,0,1]=4 9147 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [1,1,0,0,0,0|1,0,1]=4 9148 B10R0.78 CC(C)CCC(=O)CCCF 1458a_100000181311_100011934791 [1,1,0,0,0,0|2,0,0]=4 9149 B10R0.78 CC(C)CCC(=O)CCCO 1458a_100000181311_100011215043 [1,1,0,0,0,0|2,0,0]=4 9150 B10R0.78 CC(C)CCC(=O)NCCF 11a_100000724931_100000181311 [1,1,0,0,0,0|2,0,0]=4 9151 B10R0.78 CC(C)CCC(=O)NCCF 1626a_100000724931_100000181311 [1,1,0,0,0,0|2,0,0]=4 9152 B10R0.78 CC(C)CCC(=O)NCCF 240690a_100000724931_100000181311 [1,1,0,0,0,0|2,0,0]=4 9153 B10R0.78 CC(C)CCC(=O)NCCF 527a_100000724931_100000181311 [1,1,0,0,0,0|2,0,0]=4 9154 B10R0.78 CC(C)CCC(=O)NCCO 240690a_100000210304_100000181311 [1,1,0,0,0,0|2,0,0]=4 9155 B10R0.78 CC(C)CCC(=O)NCCO 527a_100000210304_100000181311 [1,1,0,0,0,0|2,0,0]=4 9156 B10R0.78 CC(O)CCC(=O)NCCF 1626a_100000724931_100000718519 [1,1,0,0,0,0|2,0,0]=4 9157 B10R0.78 CCC#CC(=O)CCC(C)C 1458a_100011827653_100000210312 [1,1,0,0,0,0|1,0,1]=4 9158 B10R0.78 CCC#CC(=O)CCC(C)O 1458a_100011827653_100012276601 [1,1,0,0,0,0|1,0,1]=4 9159 B10R0.78 CCC=CC(=O)CCC(C)C 1458a_100000212282_100000210312 [1,1,0,0,0,0|1,0,1]=4 9160 B10R0.78 CCC=CC(=O)CCC(C)O 1458a_100000212282_100012276601 [1,1,0,0,0,0|1,0,1]=4 9161 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [1,1,0,0,0,0|1,0,1]=4 9162 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [1,1,0,0,0,0|1,0,0]=3 9163 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [1,1,0,0,0,0|1,0,0]=3 9164 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [1,1,0,0,0,0|1,0,0]=3 9165 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [1,1,0,0,0,0|2,0,0]=4 9166 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [1,1,0,0,0,0|2,0,0]=4 9167 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [1,1,0,0,0,0|2,0,0]=4 9168 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [1,1,0,0,0,0|1,0,0]=3 9169 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [1,1,0,0,0,0|1,0,0]=3 9170 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [1,1,0,0,0,0|1,0,0]=3 9171 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [1,1,0,0,0,0|1,0,0]=3 9172 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [1,1,0,0,0,0|1,0,0]=3 9173 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [1,1,0,0,0,0|1,0,0]=3 9174 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [1,1,0,0,0,0|1,0,0]=3 9175 B10R0.78 CCCCC(=O)NCC(F)F 11a_100000765723_100000210183 [1,1,0,0,0,0|2,0,0]=4 9176 B10R0.78 CCCCC(=O)NCC(F)F 1626a_100000765723_100000210183 [1,1,0,0,0,0|2,0,0]=4 9177 B10R0.78 CCCCC(=O)NCC(F)F 240690a_100000765723_100000210183 [1,1,0,0,0,0|2,0,0]=4 9178 B10R0.78 CCCCC(=O)NCC(F)F 527a_100000765723_100000210183 [1,1,0,0,0,0|2,0,0]=4 9179 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [1,1,0,0,0,0|2,0,0]=4 9180 B10R0.78 CCCCC(C)OCC(C)Br 34a_100012180447_200011215066 [1,1,0,0,0,0|1,0,1]=4 9181 B10R0.78 CCCCC(C)OCC(C)C 34a_100000210257_200011215066 [1,1,0,0,0,0|1,0,1]=4 9182 B10R0.78 CCCCC(C)OCC(C)C 34a_100000687866_100000210624 [1,1,0,0,0,0|1,0,1]=4 9183 B10R0.78 CCCCC(C)OCC(C)C 7a_100000687866_100000210760 [1,1,0,0,0,0|1,0,1]=4 9184 B10R0.78 CCCCC(C)OCC(C)F 34a_100015925927_200011215066 [1,1,0,0,0,0|1,0,1]=4 9185 B10R0.78 CCCCC(C)OCC(C)O 34a_100000687866_100011218427 [1,1,0,0,0,0|1,0,1]=4 9186 B10R0.78 CCCCC(C)OCC(C)O 7a_100000687866_100011218427 [1,1,0,0,0,0|1,0,1]=4 9187 B10R0.78 CCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011215066 [1,1,0,0,0,0|1,0,1]=4 9188 B10R0.78 CCCCC(C)OC[C@@H](C)N 34a_100000737577_200011215066 [1,1,0,0,0,0|1,0,1]=4 9189 B10R0.78 CCCCC(C)OC[C@@H](C)O 34a_100000687866_100009817552 [1,1,0,0,0,0|1,0,1]=4 9190 B10R0.78 CCCCC(C)OC[C@@H](C)O 7a_100000687866_100009817552 [1,1,0,0,0,0|1,0,1]=4 9191 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [1,1,0,0,0,0|1,0,1]=4 9192 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [1,1,0,0,0,0|1,0,1]=4 9193 B10R0.78 CCCNC(=O)CCC(C)C 11a_100020643023_100000181311 [1,1,0,0,0,0|1,0,0]=3 9194 B10R0.78 CCCNC(=O)CCC(C)C 1626a_100020643023_100000181311 [1,1,0,0,0,0|1,0,0]=3 9195 B10R0.78 CCCNC(=O)CCC(C)C 240690a_100020643023_100000181311 [1,1,0,0,0,0|1,0,0]=3 9196 B10R0.78 CCCNC(=O)CCC(C)C 527a_100020643023_100000181311 [1,1,0,0,0,0|1,0,0]=3 9197 B10R0.78 CCCNC(=O)CCC(C)O 1626a_100020643023_100000718519 [1,1,0,0,0,0|1,0,0]=3 9198 B10R0.78 CCCNC(=O)CCN(C)C 11a_100020643023_100000689311 [1,1,0,0,0,0|2,0,0]=4 9199 B10R0.78 CCCNC(=O)CCN(C)C 240690a_100020643023_100000689311 [1,1,0,0,0,0|2,0,0]=4 9200 B10R0.78 CCCNC(=O)CCN(C)C 527a_100020643023_100000689311 [1,1,0,0,0,0|2,0,0]=4 9201 B10R0.78 CCCNC(=O)CC[S+](C)C 11a_100020643023_100009452791 [1,1,0,0,0,0|2,0,0]=4 9202 B10R0.78 CCCNC(=O)CC[S+](C)C 1626a_100020643023_100009452791 [1,1,0,0,0,0|2,0,0]=4 9203 B10R0.78 CCCNC(=O)CC[S+](C)C 240690a_100020643023_100009452791 [1,1,0,0,0,0|2,0,0]=4 9204 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100000174927_100000210206 [1,1,0,0,0,0|2,0,0]=4 9205 B10R0.78 CCCNC(=O)CNC(C)C 2230a_100138425928_100000183358 [1,1,0,0,0,0|2,0,0]=4 9206 B10R0.78 CCCNC(=O)CNC(C)C 34a_100138425928_100000183358 [1,1,0,0,0,0|2,0,0]=4 9207 B10R0.78 CCCNC(=O)COC(C)C 11a_100020643023_100000745533 [1,1,0,0,0,0|2,0,0]=4 9208 B10R0.78 CCCNC(=O)COC(C)C 1626a_100020643023_100000745533 [1,1,0,0,0,0|2,0,0]=4 9209 B10R0.78 CCCNC(=O)COC(C)C 240690a_100020643023_100000745533 [1,1,0,0,0,0|2,0,0]=4 9210 B10R0.78 CCCNC(=O)COC(C)C 34a_100000212225_100000183358 [1,1,0,0,0,0|2,0,0]=4 9211 B10R0.78 CCCNC(=O)COC(C)C 527a_100020643023_100000745533 [1,1,0,0,0,0|2,0,0]=4 9212 B10R0.78 CCCNC(=O)CSC(C)C 11a_100020643023_100000241585 [1,1,0,0,0,0|2,0,0]=4 9213 B10R0.78 CCCNC(=O)CSC(C)C 1626a_100020643023_100000241585 [1,1,0,0,0,0|2,0,0]=4 9214 B10R0.78 CCCNC(=O)CSC(C)C 240690a_100020643023_100000241585 [1,1,0,0,0,0|2,0,0]=4 9215 B10R0.78 CCCNC(=O)CSC(C)C 527a_100020643023_100000241585 [1,1,0,0,0,0|2,0,0]=4 9216 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000183358_100000210206 [1,1,0,0,0,0|2,0,0]=4 9217 B10R0.78 CCCNC(=O)CSC(C)C 62a_100000210206_100000183358 [1,1,0,0,0,0|2,0,0]=4 9218 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100000210953_100020643023 [1,1,0,0,0,0|2,0,0]=4 9219 B10R0.78 CCCNC(=O)NCC(C)C 2708a_100020643023_100000210953 [1,1,0,0,0,0|2,0,0]=4 9220 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100000210953_100020643023 [1,1,0,0,0,0|2,0,0]=4 9221 B10R0.78 CCCNC(=O)NCC(C)C 273464a_100020643023_100000210953 [1,1,0,0,0,0|2,0,0]=4 9222 B10R0.78 CCCNC(=O)NCC(C)C 512a_100000210953_100020643023 [1,1,0,0,0,0|2,0,0]=4 9223 B10R0.78 CCCNC(=O)NCC(C)C 512a_100020643023_100000210953 [1,1,0,0,0,0|2,0,0]=4 9224 B10R0.78 CCCNC(=O)NCC(C)O 2708a_100020643023_100000210904 [1,1,0,0,0,0|2,0,0]=4 9225 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100000210904_100020643023 [1,1,0,0,0,0|2,0,0]=4 9226 B10R0.78 CCCNC(=O)NCC(C)O 273464a_100020643023_100000210904 [1,1,0,0,0,0|2,0,0]=4 9227 B10R0.78 CCCNC(=O)NCC(C)O 512a_100000210904_100020643023 [1,1,0,0,0,0|2,0,0]=4 9228 B10R0.78 CCCNC(=O)NCC(C)O 512a_100020643023_100000210904 [1,1,0,0,0,0|2,0,0]=4 9229 B10R0.78 CCCOC(=O)CNC(C)C 2230a_100138425928_200011215008 [1,1,0,0,0,0|1,0,0]=3 9230 B10R0.78 CCCOC(=O)CNC(C)C 34a_100138425928_200011215008 [1,1,0,0,0,0|1,0,0]=3 9231 B10R0.78 CCCOC(=O)COC(C)C 34a_100000212225_200011215008 [1,1,0,0,0,0|1,0,0]=3 9232 B10R0.78 CCCOC(=O)CSC(C)C 62a_100000210206_200011215008 [1,1,0,0,0,0|1,0,0]=3 9233 B10R0.78 CCCOC(=O)CSC(C)C 62a_200011215008_100000210206 [1,1,0,0,0,0|1,0,0]=3 9234 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [1,1,0,0,0,0|1,0,1]=4 9235 B10R0.78 CCCOC(=O)OCN(C)C 269982a_100102631434_200000139673 [1,1,0,0,0,0|2,0,0]=4 9236 B10R0.78 CCCOC(C)CCC(C)C 34a_100000210258_100011261404 [1,1,0,0,0,0|1,0,1]=4 9237 B10R0.78 CCCOC(C)CCC(C)C 34a_100011215350_100000210303 [1,1,0,0,0,0|1,0,1]=4 9238 B10R0.78 CCCOC(C)CCC(C)C 7a_100011215350_100000210303 [1,1,0,0,0,0|1,0,1]=4 9239 B10R0.78 CCNCC(=O)NCC(C)C 2230a_100015525214_100000183291 [1,1,0,0,0,0|2,0,0]=4 9240 B10R0.78 CCNNC(=O)CCC(C)C 22a_100000756455_100000181311 [1,1,0,0,0,0|2,0,0]=4 9241 B10R0.78 CCOCC(=O)CCC(C)C 1458a_100000211967_100000210312 [1,1,0,0,0,0|2,0,0]=4 9242 B10R0.78 CCOCC(=O)CCC(C)O 1458a_100000211967_100012276601 [1,1,0,0,0,0|2,0,0]=4 9243 B10R0.78 CCOCC(=O)NCC(C)C 11a_100000210953_100000211967 [1,1,0,0,0,0|2,0,0]=4 9244 B10R0.78 CCOCC(=O)NCC(C)C 1626a_100000210953_100000211967 [1,1,0,0,0,0|2,0,0]=4 9245 B10R0.78 CCOCC(=O)NCC(C)C 240690a_100000210953_100000211967 [1,1,0,0,0,0|2,0,0]=4 9246 B10R0.78 CCOCC(=O)NCC(C)C 34a_100121572206_100000183291 [1,1,0,0,0,0|2,0,0]=4 9247 B10R0.78 CCOCC(=O)NCC(C)C 527a_100000210953_100000211967 [1,1,0,0,0,0|2,0,0]=4 9248 B10R0.78 CCOCC(=O)NCC(C)O 11a_100000210904_100000211967 [1,1,0,0,0,0|2,0,0]=4 9249 B10R0.78 CCOCC(=O)NCC(C)O 240690a_100000210904_100000211967 [1,1,0,0,0,0|2,0,0]=4 9250 B10R0.78 CCOCC(=O)NCC(C)O 527a_100000210904_100000211967 [1,1,0,0,0,0|2,0,0]=4 9251 B10R0.78 CCSCC(=O)CCC(C)C 1458a_100000230394_100000210312 [1,1,0,0,0,0|2,0,0]=4 9252 B10R0.78 CCSCC(=O)CCC(C)O 1458a_100000230394_100012276601 [1,1,0,0,0,0|2,0,0]=4 9253 B10R0.78 CCSCC(=O)NCC(C)C 11a_100000210953_100000230394 [1,1,0,0,0,0|2,0,0]=4 9254 B10R0.78 CCSCC(=O)NCC(C)C 1626a_100000210953_100000230394 [1,1,0,0,0,0|2,0,0]=4 9255 B10R0.78 CCSCC(=O)NCC(C)C 240690a_100000210953_100000230394 [1,1,0,0,0,0|2,0,0]=4 9256 B10R0.78 CCSCC(=O)NCC(C)C 527a_100000210953_100000230394 [1,1,0,0,0,0|2,0,0]=4 9257 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000183291_100000210202 [1,1,0,0,0,0|2,0,0]=4 9258 B10R0.78 CCSCC(=O)NCC(C)C 62a_100000210202_100000183291 [1,1,0,0,0,0|2,0,0]=4 9259 B10R0.78 CCSCC(=O)NCC(C)O 11a_100000210904_100000230394 [1,1,0,0,0,0|2,0,0]=4 9260 B10R0.78 CCSCC(=O)NCC(C)O 240690a_100000210904_100000230394 [1,1,0,0,0,0|2,0,0]=4 9261 B10R0.78 CCSCC(=O)NCC(C)O 527a_100000210904_100000230394 [1,1,0,0,0,0|2,0,0]=4 9262 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000181311_100000233755 [1,1,0,0,0,0|2,0,0]=4 9263 B10R0.78 COCCC(=O)CCC(C)C 1458a_100000749529_100000210312 [1,1,0,0,0,0|2,0,0]=4 9264 B10R0.78 COCCC(=O)CCC(C)O 1458a_100000749529_100012276601 [1,1,0,0,0,0|2,0,0]=4 9265 B10R0.78 COCCC(=O)NCC(C)C 11a_100000210953_100000749529 [1,1,0,0,0,0|2,0,0]=4 9266 B10R0.78 COCCC(=O)NCC(C)C 1626a_100000210953_100000749529 [1,1,0,0,0,0|2,0,0]=4 9267 B10R0.78 COCCC(=O)NCC(C)C 240690a_100000210953_100000749529 [1,1,0,0,0,0|2,0,0]=4 9268 B10R0.78 COCCC(=O)NCC(C)C 527a_100000210953_100000749529 [1,1,0,0,0,0|2,0,0]=4 9269 B10R0.78 COCCC(=O)NCC(C)O 11a_100000210904_100000749529 [1,1,0,0,0,0|2,0,0]=4 9270 B10R0.78 COCCC(=O)NCC(C)O 240690a_100000210904_100000749529 [1,1,0,0,0,0|2,0,0]=4 9271 B10R0.78 COCCC(=O)NCC(C)O 527a_100000210904_100000749529 [1,1,0,0,0,0|2,0,0]=4 9272 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000174002_100000210312 [1,1,0,0,0,0|2,0,0]=4 9273 B10R0.78 CSCCC(=O)CCC(C)C 1458a_100000181311_100000751147 [1,1,0,0,0,0|2,0,0]=4 9274 B10R0.78 CSCCC(=O)CCC(C)O 1458a_100000174002_100012276601 [1,1,0,0,0,0|2,0,0]=4 9275 B10R0.78 CSCCC(=O)NCC(C)C 11a_100000210953_100000174002 [1,1,0,0,0,0|2,0,0]=4 9276 B10R0.78 CSCCC(=O)NCC(C)C 1626a_100000210953_100000174002 [1,1,0,0,0,0|2,0,0]=4 9277 B10R0.78 CSCCC(=O)NCC(C)C 240690a_100000210953_100000174002 [1,1,0,0,0,0|2,0,0]=4 9278 B10R0.78 CSCCC(=O)NCC(C)C 527a_100000210953_100000174002 [1,1,0,0,0,0|2,0,0]=4 9279 B10R0.78 CSCCC(=O)NCC(C)O 11a_100000210904_100000174002 [1,1,0,0,0,0|2,0,0]=4 9280 B10R0.78 CSCCC(=O)NCC(C)O 240690a_100000210904_100000174002 [1,1,0,0,0,0|2,0,0]=4 9281 B10R0.78 CSCCC(=O)NCC(C)O 527a_100000210904_100000174002 [1,1,0,0,0,0|2,0,0]=4 9282 B10R0.116 CCCCC(C)(C)OCCC 7a_100011219641_100000210303 [1,1,0,0,0,0|1,0,1]=4 9283 B10R0.116 CCCCS(=O)(=O)NCCC 270084a_100020643023_100000212082 [1,1,0,0,0,0|2,0,0]=4 9284 B10R0.116 CCCCS(=O)(=O)NCCC 274078a_100020643023_100000212082 [1,1,0,0,0,0|2,0,0]=4 9285 B10R0.116 CCCCS(=O)(=O)NCCC 40a_100020643023_100000054263 [1,1,0,0,0,0|2,0,0]=4 9286 B10R0.4 C=C(C)COCCCCCC 34a_100000210245_100000210314 [1,1,0,0,0,0|0,0,2]=4 9287 B10R0.4 C=C(C)COCCCCCC 34a_100000210259_100000748629 [1,1,0,0,0,0|0,0,2]=4 9288 B10R0.4 C=C(C)COCCCCCC 7a_100000210259_100000748629 [1,1,0,0,0,0|0,0,2]=4 9289 B10R0.4 CC(Br)COCCCCCF 34a_100012180447_100000729378 [1,1,0,0,0,0|1,0,1]=4 9290 B10R0.4 CC(Br)COCCCCCO 34a_100012180447_100000746330 [1,1,0,0,0,0|1,0,1]=4 9291 B10R0.4 CC(C)CCCCOCCBr 34a_100000211926_100011216152 [1,1,0,0,0,0|1,0,1]=4 9292 B10R0.4 CC(C)CCCCOCCF 34a_100011214890_100011217306 [1,1,0,0,0,0|1,0,1]=4 9293 B10R0.4 CC(C)CCCCOCCF 7a_100011214890_100011217306 [1,1,0,0,0,0|1,0,1]=4 9294 B10R0.4 CC(C)CCCCOCCN 34a_100000210304_100011216152 [1,1,0,0,0,0|1,0,1]=4 9295 B10R0.4 CC(C)CCCCOCCO 34a_100011214890_100000211926 [1,1,0,0,0,0|1,0,1]=4 9296 B10R0.4 CC(C)CCCCOCCO 7a_100011214890_100000211926 [1,1,0,0,0,0|1,0,1]=4 9297 B10R0.4 CC(C)COCCCCCBr 34a_100000746331_100000210624 [1,1,0,0,0,0|1,0,1]=4 9298 B10R0.4 CC(C)COCCCCCBr 7a_100000746331_100000210760 [1,1,0,0,0,0|1,0,1]=4 9299 B10R0.4 CC(C)COCCCCCCl 34a_100000746330_100000210624 [1,1,0,0,0,0|1,0,1]=4 9300 B10R0.4 CC(C)COCCCCCCl 7a_100000746330_100000210760 [1,1,0,0,0,0|1,0,1]=4 9301 B10R0.4 CC(C)COCCCCCF 34a_100000210257_100000729378 [1,1,0,0,0,0|1,0,1]=4 9302 B10R0.4 CC(C)COCCCCCI 34a_200012148887_100000210624 [1,1,0,0,0,0|1,0,1]=4 9303 B10R0.4 CC(C)COCCCCCI 7a_200012148887_100000210760 [1,1,0,0,0,0|1,0,1]=4 9304 B10R0.4 CC(C)COCCCCCN 34a_100000762737_100000210624 [1,1,0,0,0,0|1,0,1]=4 9305 B10R0.4 CC(C)COCCCCCO 34a_100000210257_100000746330 [1,1,0,0,0,0|1,0,1]=4 9306 B10R0.4 CC(F)COCCCCCF 34a_100015925927_100000729378 [1,1,0,0,0,0|1,0,1]=4 9307 B10R0.4 CC(F)COCCCCCO 34a_100015925927_100000746330 [1,1,0,0,0,0|1,0,1]=4 9308 B10R0.4 CC(O)COCCCCCBr 34a_100000746331_100011218427 [1,1,0,0,0,0|1,0,1]=4 9309 B10R0.4 CC(O)COCCCCCBr 7a_100000746331_100011218427 [1,1,0,0,0,0|1,0,1]=4 9310 B10R0.4 CC(O)COCCCCCCl 34a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 9311 B10R0.4 CC(O)COCCCCCCl 7a_100000746330_100011218427 [1,1,0,0,0,0|1,0,1]=4 9312 B10R0.4 CC(O)COCCCCCI 34a_200012148887_100011218427 [1,1,0,0,0,0|1,0,1]=4 9313 B10R0.4 CC(O)COCCCCCI 7a_200012148887_100011218427 [1,1,0,0,0,0|1,0,1]=4 9314 B10R0.4 CC(O)COCCCCCN 34a_100000762737_100011218427 [1,1,0,0,0,0|1,0,1]=4 9315 B10R0.4 CCC/C=C/COCC(C)C 34a_100016278788_100000210624 [1,1,0,0,0,0|2,0,0]=4 9316 B10R0.4 CCC/C=C/COCC(C)C 7a_100016278788_100000210760 [1,1,0,0,0,0|2,0,0]=4 9317 B10R0.4 CCC/C=C/COCC(C)O 34a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 9318 B10R0.4 CCC/C=C/COCC(C)O 7a_100016278788_100011218427 [1,1,0,0,0,0|2,0,0]=4 9319 B10R0.4 CCC/C=C/COC[C@@H](C)O 34a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 9320 B10R0.4 CCC/C=C/COC[C@@H](C)O 7a_100016278788_100009817552 [1,1,0,0,0,0|2,0,0]=4 9321 B10R0.4 CCCCC/C=C/CC(=O)C 1458a_100020675968_200000210301 [1,1,0,0,0,0|1,0,1]=4 9322 B10R0.4 CCCCC/C=C/CC(=O)[13CH3] 1458a_100020675968_200025704644 [1,1,0,0,0,0|1,0,1]=4 9323 B10R0.4 CCCCCC=NNC(C)C 4a_100000741168_100000737632 [1,1,0,0,0,0|2,0,0]=4 9324 B10R0.4 CCCCCCNCC(C)C 2230a_100000210581_100000210760 [1,1,0,0,0,0|1,0,1]=4 9325 B10R0.4 CCCCCCNCC(C)C 2230a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 9326 B10R0.4 CCCCCCNCC(C)C 270004a_100000210581_100000210432 [1,1,0,0,0,0|1,0,1]=4 9327 B10R0.4 CCCCCCNCC(C)C 34a_100000210953_100000210314 [1,1,0,0,0,0|1,0,1]=4 9328 B10R0.4 CCCCCCNCC(C)O 2230a_100000210581_100011218427 [1,1,0,0,0,0|1,0,1]=4 9329 B10R0.4 CCCCCCNCC(C)O 2230a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 9330 B10R0.4 CCCCCCNCC(C)O 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 9331 B10R0.4 CCCCCCNC[C@@H](C)O 2230a_100000210581_100009817552 [1,1,0,0,0,0|1,0,1]=4 9332 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,1,0,0,0,0|0,0,2]=4 9333 B10R0.4 CCCCCCOCC(C)Br 34a_100012180447_100000210314 [1,1,0,0,0,0|0,0,1]=3 9334 B10R0.4 CCCCCCOCC(C)C 34a_100000210257_100000210314 [1,1,0,0,0,0|0,0,1]=3 9335 B10R0.4 CCCCCCOCC(C)C 34a_100000210259_100000210624 [1,1,0,0,0,0|0,0,1]=3 9336 B10R0.4 CCCCCCOCC(C)C 7a_100000210259_100000210760 [1,1,0,0,0,0|0,0,1]=3 9337 B10R0.4 CCCCCCOCC(C)F 34a_100015925927_100000210314 [1,1,0,0,0,0|0,0,1]=3 9338 B10R0.4 CCCCCCOCC(C)O 34a_100000210259_100011218427 [1,1,0,0,0,0|0,0,1]=3 9339 B10R0.4 CCCCCCOCC(C)O 7a_100000210259_100011218427 [1,1,0,0,0,0|0,0,1]=3 9340 B10R0.4 CCCCCCOCC(F)F 34a_100000210259_100011934356 [1,1,0,0,0,0|1,0,1]=4 9341 B10R0.4 CCCCCCOCC(F)F 34a_100000743014_100000210314 [1,1,0,0,0,0|1,0,1]=4 9342 B10R0.4 CCCCCCOCC(F)F 7a_100000210259_100011934356 [1,1,0,0,0,0|1,0,1]=4 9343 B10R0.4 CCCCCCOC[C@@H](C)Cl 34a_100016084084_100000210314 [1,1,0,0,0,0|0,0,1]=3 9344 B10R0.4 CCCCCCOC[C@@H](C)N 34a_100000737577_100000210314 [1,1,0,0,0,0|0,0,1]=3 9345 B10R0.4 CCCCCCOC[C@@H](C)O 34a_100000210259_100009817552 [1,1,0,0,0,0|0,0,1]=3 9346 B10R0.4 CCCCCCOC[C@@H](C)O 7a_100000210259_100009817552 [1,1,0,0,0,0|0,0,1]=3 9347 B10R0.4 CCCCCCSCC(C)C 62a_100000210314_100000210760 [1,1,0,0,0,0|0,1,1]=4 9348 B10R0.4 CCCCCCSCC(C)C 62a_100000210624_100000210757 [1,1,0,0,0,0|0,1,1]=4 9349 B10R0.4 CCCCCCSCC(C)O 62a_100000210314_100011218427 [1,1,0,0,0,0|0,1,1]=4 9350 B10R0.4 CCCCCCSCC(C)O 62a_100011218427_100000210757 [1,1,0,0,0,0|0,1,1]=4 9351 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100000210314_100009817552 [1,1,0,0,0,0|0,1,1]=4 9352 B10R0.4 CCCCCCSC[C@@H](C)O 62a_100009817552_100000210757 [1,1,0,0,0,0|0,1,1]=4 9353 B10R0.4 CCCCCNCCC(C)C 2230a_100000209983_100000210312 [1,1,0,0,0,0|2,0,0]=4 9354 B10R0.4 CCCCCNCCC(C)C 269862a_100000209983_100000185833 [1,1,0,0,0,0|2,0,0]=4 9355 B10R0.4 CCCCCNCCC(C)O 2230a_100000209983_100012276601 [1,1,0,0,0,0|2,0,0]=4 9356 B10R0.4 CCCCCNCCC(C)O 2230a_200000755665_100000210326 [1,1,0,0,0,0|2,0,0]=4 9357 B10R0.4 CCCCCOCCC(C)Br 34a_100009893172_100000718602 [1,1,0,0,0,0|2,0,0]=4 9358 B10R0.4 CCCCCOCCC(C)C 34a_100000210253_100000210312 [1,1,0,0,0,0|2,0,0]=4 9359 B10R0.4 CCCCCOCCC(C)C 34a_100000210254_100000718602 [1,1,0,0,0,0|2,0,0]=4 9360 B10R0.4 CCCCCOCCC(C)C 7a_100000210253_100000210626 [1,1,0,0,0,0|2,0,0]=4 9361 B10R0.4 CCCCCOCCC(C)C 7a_100000210254_100000210326 [1,1,0,0,0,0|2,0,0]=4 9362 B10R0.4 CCCCCOCCC(C)O 34a_100000210253_100012276601 [1,1,0,0,0,0|2,0,0]=4 9363 B10R0.4 CCCCCOCCC(C)O 7a_100000210253_100012276601 [1,1,0,0,0,0|2,0,0]=4 9364 B10R0.4 CCCCCOCC[C@@H](C)N 34a_100000706166_100000718602 [1,1,0,0,0,0|2,0,0]=4 9365 B10R0.4 CCCCCSCCC(C)C 62a_100000210312_100000210326 [1,1,0,0,0,0|2,0,0]=4 9366 B10R0.4 CCCCCSCCC(C)C 62a_100000210326_100000210312 [1,1,0,0,0,0|2,0,0]=4 9367 B10R0.4 CCCCCSCCC(C)O 62a_100000210326_100012276601 [1,1,0,0,0,0|2,0,0]=4 9368 B10R0.4 CCCCCSCCC(C)O 62a_100012276601_100000210326 [1,1,0,0,0,0|2,0,0]=4 9369 B10R0.4 CCCCNCCCC(C)C 2230a_100000102301_100011214892 [1,1,0,0,0,0|2,0,0]=4 9370 B10R0.4 CCCCNCCCC(C)C 2230a_200000737386_100000210211 [1,1,0,0,0,0|2,0,0]=4 9371 B10R0.4 CCCCNCCCC(C)C 34a_200000737386_100000210210 [1,1,0,0,0,0|2,0,0]=4 9372 B10R0.4 CCCCNCCCC(C)C 7a_106832991798_100011214892 [1,1,0,0,0,0|2,0,0]=4 9373 B10R0.4 CCCCNCCCC(C)O 2230a_100000102301_200000718107 [1,1,0,0,0,0|2,0,0]=4 9374 B10R0.4 CCCCNCCCC(C)O 7a_106832991798_200000718107 [1,1,0,0,0,0|2,0,0]=4 9375 B10R0.4 CCCCOCCCC(C)C 34a_100000210227_100011214892 [1,1,0,0,0,0|2,0,0]=4 9376 B10R0.4 CCCCOCCCC(C)C 34a_100000210774_100000210210 [1,1,0,0,0,0|2,0,0]=4 9377 B10R0.4 CCCCOCCCC(C)C 7a_100000210227_100011214892 [1,1,0,0,0,0|2,0,0]=4 9378 B10R0.4 CCCCOCCCC(C)C 7a_100000210774_100000210211 [1,1,0,0,0,0|2,0,0]=4 9379 B10R0.4 CCCCOCCCC(C)O 34a_100000210227_200000718107 [1,1,0,0,0,0|2,0,0]=4 9380 B10R0.4 CCCCOCCCC(C)O 7a_100000210227_200000718107 [1,1,0,0,0,0|2,0,0]=4 9381 B10R0.4 CCCCOCOCC(C)Br 34a_100012180447_100011995733 [1,1,0,0,0,0|1,0,1]=4 9382 B10R0.4 CCCCOCOCC(C)C 34a_100000210257_100011995733 [1,1,0,0,0,0|1,0,1]=4 9383 B10R0.4 CCCCOCOCC(C)F 34a_100015925927_100011995733 [1,1,0,0,0,0|1,0,1]=4 9384 B10R0.4 CCCCOCOC[C@@H](C)Cl 34a_100016084084_100011995733 [1,1,0,0,0,0|1,0,1]=4 9385 B10R0.4 CCCCOCOC[C@@H](C)N 34a_100000737577_100011995733 [1,1,0,0,0,0|1,0,1]=4 9386 B10R0.4 CCCCSCCCC(C)C 62a_100000210211_100011214892 [1,1,0,0,0,0|2,0,0]=4 9387 B10R0.4 CCCCSCCCC(C)C 62a_100011214892_100000210210 [1,1,0,0,0,0|2,0,0]=4 9388 B10R0.4 CCCCSCCCC(C)O 62a_100000210211_200000718107 [1,1,0,0,0,0|2,0,0]=4 9389 B10R0.4 CCCCSCCCC(C)O 62a_200000718107_100000210210 [1,1,0,0,0,0|2,0,0]=4 9390 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,1,0,0,0,0|0,0,2]=4 9391 B10R0.4 CCCOCCCCC(C)C 34a_100000210258_100011216152 [1,1,0,0,0,0|0,0,1]=3 9392 B10R0.4 CCCOCCCCC(C)C 34a_100011214890_100000210303 [1,1,0,0,0,0|0,0,1]=3 9393 B10R0.4 CCCOCCCCC(C)C 7a_100011214890_100000210303 [1,1,0,0,0,0|0,0,1]=3 9394 B10R0.4 CCCOCCCNC(C)C 2230a_100011217757_100000210206 [1,1,0,0,0,0|1,0,1]=4 9395 B10R0.4 CCCOCCCNC(C)C 34a_100000182298_100000210303 [1,1,0,0,0,0|1,0,1]=4 9396 B10R0.4 CCCOCCCNC(C)C 34a_100011217757_100000210206 [1,1,0,0,0,0|1,0,1]=4 9397 B10R0.4 CCCOCCNCC(C)C 2230a_100000210953_100011215938 [1,1,0,0,0,0|1,0,1]=4 9398 B10R0.4 CCCOCCNCC(C)C 2230a_100161115042_100000210760 [1,1,0,0,0,0|1,0,1]=4 9399 B10R0.4 CCCOCCNCC(C)C 270004a_100161115042_100000210432 [1,1,0,0,0,0|1,0,1]=4 9400 B10R0.4 CCCOCCNCC(C)C 34a_100000210953_100011215938 [1,1,0,0,0,0|1,0,1]=4 9401 B10R0.4 CCCOCCNCC(C)C 34a_100015185251_100000210303 [1,1,0,0,0,0|1,0,1]=4 9402 B10R0.4 CCCOCCNCC(C)C 34a_100161115042_100000210624 [1,1,0,0,0,0|1,0,1]=4 9403 B10R0.4 CCCOCCNCC(C)O 2230a_100000210904_100011215938 [1,1,0,0,0,0|1,0,1]=4 9404 B10R0.4 CCCOCCNCC(C)O 2230a_100161115042_100011218427 [1,1,0,0,0,0|1,0,1]=4 9405 B10R0.4 CCCOCCNCC(C)O 34a_100000210904_100011215938 [1,1,0,0,0,0|1,0,1]=4 9406 B10R0.4 CCCOCCNCC(C)O 34a_100161115042_100011218427 [1,1,0,0,0,0|1,0,1]=4 9407 B10R0.4 CCCOCCNC[C@@H](C)O 2230a_100161115042_100009817552 [1,1,0,0,0,0|1,0,1]=4 9408 B10R0.4 CCCOCCNC[C@@H](C)O 34a_100161115042_100009817552 [1,1,0,0,0,0|1,0,1]=4 9409 B10R0.4 CCCOCCOCC(C)Br 34a_100012180447_100011215938 [1,1,0,0,0,0|1,0,1]=4 9410 B10R0.4 CCCOCCOCC(C)C 34a_100000210257_100011215938 [1,1,0,0,0,0|1,0,1]=4 9411 B10R0.4 CCCOCCOCC(C)C 34a_100000703358_100000210303 [1,1,0,0,0,0|1,0,1]=4 9412 B10R0.4 CCCOCCOCC(C)C 34a_100000752267_100000210624 [1,1,0,0,0,0|1,0,1]=4 9413 B10R0.4 CCCOCCOCC(C)C 7a_100000703358_100000210303 [1,1,0,0,0,0|1,0,1]=4 9414 B10R0.4 CCCOCCOCC(C)C 7a_100000752267_100000210760 [1,1,0,0,0,0|1,0,1]=4 9415 B10R0.4 CCCOCCOCC(C)F 34a_100015925927_100011215938 [1,1,0,0,0,0|1,0,1]=4 9416 B10R0.4 CCCOCCOCC(C)O 34a_100000752267_100011218427 [1,1,0,0,0,0|1,0,1]=4 9417 B10R0.4 CCCOCCOCC(C)O 7a_100000752267_100011218427 [1,1,0,0,0,0|1,0,1]=4 9418 B10R0.4 CCCOCCOC[C@@H](C)Cl 34a_100016084084_100011215938 [1,1,0,0,0,0|1,0,1]=4 9419 B10R0.4 CCCOCCOC[C@@H](C)N 34a_100000737577_100011215938 [1,1,0,0,0,0|1,0,1]=4 9420 B10R0.4 CCCOCCOC[C@@H](C)O 34a_100000752267_100009817552 [1,1,0,0,0,0|1,0,1]=4 9421 B10R0.4 CCCOCCOC[C@@H](C)O 7a_100000752267_100009817552 [1,1,0,0,0,0|1,0,1]=4 9422 B10R0.4 CCCOCCSCC(C)C 34a_200000230437_100000210303 [1,1,0,0,0,0|1,0,1]=4 9423 B10R0.4 CCCOCCSCC(C)C 62a_100000210624_100011215938 [1,1,0,0,0,0|1,0,1]=4 9424 B10R0.4 CCCOCCSCC(C)C 62a_100011215938_100000210760 [1,1,0,0,0,0|1,0,1]=4 9425 B10R0.4 CCCOCCSCC(C)C 7a_200000230437_100000210303 [1,1,0,0,0,0|1,0,1]=4 9426 B10R0.4 CCCOCCSCC(C)O 62a_100011215938_100011218427 [1,1,0,0,0,0|1,0,1]=4 9427 B10R0.4 CCCOCCSCC(C)O 62a_100011218427_100011215938 [1,1,0,0,0,0|1,0,1]=4 9428 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100009817552_100011215938 [1,1,0,0,0,0|1,0,1]=4 9429 B10R0.4 CCCOCCSC[C@@H](C)O 62a_100011215938_100009817552 [1,1,0,0,0,0|1,0,1]=4 9430 B10R0.4 CCCSCCCCC(C)C 62a_100000210303_100011216152 [1,1,0,0,0,0|0,1,1]=4 9431 B10R0.4 CCCSCCCCC(C)C 62a_100011216152_100000210303 [1,1,0,0,0,0|0,1,1]=4 9432 B10R0.4 CCCSCCOCC(C)C 34a_200000230433_100000210624 [1,1,0,0,0,0|1,0,1]=4 9433 B10R0.4 CCCSCCOCC(C)C 7a_200000230433_100000210760 [1,1,0,0,0,0|1,0,1]=4 9434 B10R0.4 CCCSCCOCC(C)O 34a_200000230433_100011218427 [1,1,0,0,0,0|1,0,1]=4 9435 B10R0.4 CCCSCCOCC(C)O 7a_200000230433_100011218427 [1,1,0,0,0,0|1,0,1]=4 9436 B10R0.4 CCCSCCOC[C@@H](C)O 34a_200000230433_100009817552 [1,1,0,0,0,0|1,0,1]=4 9437 B10R0.4 CCCSCCOC[C@@H](C)O 7a_200000230433_100009817552 [1,1,0,0,0,0|1,0,1]=4 9438 B10R0.4 CCNCCCOCC(C)C 2230a_100000205972_100000210202 [1,1,0,0,0,0|1,0,1]=4 9439 B10R0.4 CCNCCCOCC(C)C 34a_100000205972_100000210202 [1,1,0,0,0,0|1,0,1]=4 9440 B10R0.4 CCOCCCOCC(C)Br 34a_100012180447_100012232248 [1,1,0,0,0,0|1,0,1]=4 9441 B10R0.4 CCOCCCOCC(C)C 34a_100000210257_100012232248 [1,1,0,0,0,0|1,0,1]=4 9442 B10R0.4 CCOCCCOCC(C)C 34a_100000757476_100000210624 [1,1,0,0,0,0|1,0,1]=4 9443 B10R0.4 CCOCCCOCC(C)C 7a_100000757476_100000210760 [1,1,0,0,0,0|1,0,1]=4 9444 B10R0.4 CCOCCCOCC(C)F 34a_100015925927_100012232248 [1,1,0,0,0,0|1,0,1]=4 9445 B10R0.4 CCOCCCOCC(C)O 34a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 9446 B10R0.4 CCOCCCOCC(C)O 7a_100000757476_100011218427 [1,1,0,0,0,0|1,0,1]=4 9447 B10R0.4 CCOCCCOC[C@@H](C)Cl 34a_100016084084_100012232248 [1,1,0,0,0,0|1,0,1]=4 9448 B10R0.4 CCOCCCOC[C@@H](C)N 34a_100000737577_100012232248 [1,1,0,0,0,0|1,0,1]=4 9449 B10R0.4 CCOCCCOC[C@@H](C)O 34a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 9450 B10R0.4 CCOCCCOC[C@@H](C)O 7a_100000757476_100009817552 [1,1,0,0,0,0|1,0,1]=4 9451 B10R0.4 CCSCCCOCC(C)C 34a_100011216438_100000210624 [1,1,0,0,0,0|1,0,1]=4 9452 B10R0.4 CCSCCCOCC(C)C 7a_100011216438_100000210760 [1,1,0,0,0,0|1,0,1]=4 9453 B10R0.4 CCSCCCOCC(C)O 34a_100011216438_100011218427 [1,1,0,0,0,0|1,0,1]=4 9454 B10R0.4 CCSCCCOCC(C)O 7a_100011216438_100011218427 [1,1,0,0,0,0|1,0,1]=4 9455 B10R0.4 CCSCCCOC[C@@H](C)O 34a_100011216438_100009817552 [1,1,0,0,0,0|1,0,1]=4 9456 B10R0.4 CCSCCCOC[C@@H](C)O 7a_100011216438_100009817552 [1,1,0,0,0,0|1,0,1]=4 9457 B10R0.4 COCCCCOCC(C)Br 34a_100012180447_100000755781 [1,1,0,0,0,0|1,0,1]=4 9458 B10R0.4 COCCCCOCC(C)C 34a_100000210257_100000755781 [1,1,0,0,0,0|1,0,1]=4 9459 B10R0.4 COCCCCOCC(C)C 34a_100000740925_100000210624 [1,1,0,0,0,0|1,0,1]=4 9460 B10R0.4 COCCCCOCC(C)F 34a_100015925927_100000755781 [1,1,0,0,0,0|1,0,1]=4 9461 B10R0.4 COCCCCOCC(C)O 34a_100000740925_100011218427 [1,1,0,0,0,0|1,0,1]=4 9462 B10R0.4 COCCCCOC[C@@H](C)Cl 34a_100016084084_100000755781 [1,1,0,0,0,0|1,0,1]=4 9463 B10R0.4 COCCCCOC[C@@H](C)N 34a_100000737577_100000755781 [1,1,0,0,0,0|1,0,1]=4 9464 B10R0.4 COCCCCOC[C@@H](C)O 34a_100000740925_100009817552 [1,1,0,0,0,0|1,0,1]=4 9465 B10R0.4 CSCCCCOCC(C)C 34a_100011217163_100000210624 [1,1,0,0,0,0|1,0,1]=4 9466 B10R0.4 CSCCCCOCC(C)C 7a_100011217163_100000210760 [1,1,0,0,0,0|1,0,1]=4 9467 B10R0.4 CSCCCCOCC(C)O 34a_100011217163_100011218427 [1,1,0,0,0,0|1,0,1]=4 9468 B10R0.4 CSCCCCOCC(C)O 7a_100011217163_100011218427 [1,1,0,0,0,0|1,0,1]=4 9469 B10R0.4 CSCCCCOC[C@@H](C)O 34a_100011217163_100009817552 [1,1,0,0,0,0|1,0,1]=4 9470 B10R0.4 CSCCCCOC[C@@H](C)O 7a_100011217163_100009817552 [1,1,0,0,0,0|1,0,1]=4 9471 B10R0.4 CSCOCCCCC(C)C 34a_100011214890_100011218213 [1,1,0,0,0,0|1,0,1]=4 9472 B10R0.4 C[C@@H](Cl)COCCCCCF 34a_100016084084_100000729378 [1,1,0,0,0,0|1,0,1]=4 9473 B10R0.4 C[C@@H](Cl)COCCCCCO 34a_100016084084_100000746330 [1,1,0,0,0,0|1,0,1]=4 9474 B10R0.4 C[C@@H](N)COCCCCCF 34a_100000737577_100000729378 [1,1,0,0,0,0|1,0,1]=4 9475 B10R0.4 C[C@@H](N)COCCCCCO 34a_100000737577_100000746330 [1,1,0,0,0,0|1,0,1]=4 9476 B10R0.4 C[C@@H](O)COCCCCCBr 34a_100000746331_100009817552 [1,1,0,0,0,0|1,0,1]=4 9477 B10R0.4 C[C@@H](O)COCCCCCBr 7a_100000746331_100009817552 [1,1,0,0,0,0|1,0,1]=4 9478 B10R0.4 C[C@@H](O)COCCCCCCl 34a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 9479 B10R0.4 C[C@@H](O)COCCCCCCl 7a_100000746330_100009817552 [1,1,0,0,0,0|1,0,1]=4 9480 B10R0.4 C[C@@H](O)COCCCCCI 34a_200012148887_100009817552 [1,1,0,0,0,0|1,0,1]=4 9481 B10R0.4 C[C@@H](O)COCCCCCI 7a_200012148887_100009817552 [1,1,0,0,0,0|1,0,1]=4 9482 B10R0.4 C[C@@H](O)COCCCCCN 34a_100000762737_100009817552 [1,1,0,0,0,0|1,0,1]=4 9483 B10R0.71 C#CCCCCCOCCC 34a_100000210258_100012094781 [1,1,0,0,0,0|0,0,2]=4 9484 B10R0.71 C#CCCCCCOCCC 34a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 9485 B10R0.71 C#CCCCCCOCCC 7a_100000766912_100000210303 [1,1,0,0,0,0|0,0,2]=4 9486 B10R0.71 C#CCCOCCCCCC 34a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 9487 B10R0.71 C#CCCOCCCCCC 34a_100011215631_100000210314 [1,1,0,0,0,0|0,0,2]=4 9488 B10R0.71 C#CCCOCCCCCC 7a_100000210259_100000688953 [1,1,0,0,0,0|0,0,2]=4 9489 B10R0.71 C/C=C/COCCCCCC 34a_100000210259_100102629194 [1,1,0,0,0,0|0,0,2]=4 9490 B10R0.71 C/C=C/COCCCCCC 34a_100016270725_100000210314 [1,1,0,0,0,0|0,0,2]=4 9491 B10R0.71 C/C=C/COCCCCCC 7a_100000210259_100102629194 [1,1,0,0,0,0|0,0,2]=4 9492 B10R0.71 C=CCCCCCOCCC 34a_100000210258_100000700193 [1,1,0,0,0,0|0,0,2]=4 9493 B10R0.71 C=CCCCCCOCCC 34a_100011216702_100000210303 [1,1,0,0,0,0|0,0,2]=4 9494 B10R0.71 C=CCCCCCOCCC 7a_100011216702_100000210303 [1,1,0,0,0,0|0,0,2]=4 9495 B10R0.71 C=CCCOCCCCCC 34a_100000210259_100000754431 [1,1,0,0,0,0|0,0,2]=4 9496 B10R0.71 C=CCCOCCCCCC 34a_100011205117_100000210314 [1,1,0,0,0,0|0,0,2]=4 9497 B10R0.71 C=CCCOCCCCCC 7a_100000210259_100000754431 [1,1,0,0,0,0|0,0,2]=4 9498 B10R0.71 CC#CCOCCCCCC 34a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 9499 B10R0.71 CC#CCOCCCCCC 34a_100000761923_100000210314 [1,1,0,0,0,0|0,0,2]=4 9500 B10R0.71 CC#CCOCCCCCC 7a_100000210259_100000748600 [1,1,0,0,0,0|0,0,2]=4 9501 B10R0.71 CC/C=C/CCCOCCC 34a_100016287902_100000210303 [1,1,0,0,0,0|0,0,2]=4 9502 B10R0.71 CC/C=C/CCCOCCC 7a_100016287902_100000210303 [1,1,0,0,0,0|0,0,2]=4 9503 B10R0.71 CC=CCOCCCCCC 34a_100000210259_100000070051 [1,1,0,0,0,0|0,0,2]=4 9504 B10R0.71 CC=CCOCCCCCC 7a_100000210259_100000070051 [1,1,0,0,0,0|0,0,2]=4 9505 B10R0.71 CCC/C=C/COCCCC 34a_100016278788_100000210210 [1,1,0,0,0,0|1,0,0]=3 9506 B10R0.71 CCC/C=C/COCCCC 7a_100016278788_100000210211 [1,1,0,0,0,0|1,0,0]=3 9507 B10R0.71 CCC/C=C/COCCCF 34a_100016278788_100011934791 [1,1,0,0,0,0|2,0,0]=4 9508 B10R0.71 CCC/C=C/COCCCF 7a_100016278788_100011934791 [1,1,0,0,0,0|2,0,0]=4 9509 B10R0.71 CCC/C=C/COCCCO 34a_100016278788_100000230001 [1,1,0,0,0,0|2,0,0]=4 9510 B10R0.71 CCC/C=C/COCCCO 7a_100016278788_100011215043 [1,1,0,0,0,0|2,0,0]=4 9511 B10R0.71 CCC/C=C/COCCOC 34a_100016278788_100011201679 [1,1,0,0,0,0|2,0,0]=4 9512 B10R0.71 CCC/C=C/COCCOC 7a_100016278788_100000233755 [1,1,0,0,0,0|2,0,0]=4 9513 B10R0.71 CCC/C=C/COCCSC 34a_100016278788_100000212216 [1,1,0,0,0,0|2,0,0]=4 9514 B10R0.71 CCC/C=C/COCCSC 7a_100016278788_100000212216 [1,1,0,0,0,0|2,0,0]=4 9515 B10R0.71 CCCC#CCCOCCC 34a_100000042726_100000210303 [1,1,0,0,0,0|0,0,2]=4 9516 B10R0.71 CCCC#CCCOCCC 7a_100000042726_100000210303 [1,1,0,0,0,0|0,0,2]=4 9517 B10R0.71 CCCC#CCOCCCC 34a_100000034806_100000210210 [1,1,0,0,0,0|1,0,1]=4 9518 B10R0.71 CCCC#CCOCCCC 7a_100000034806_100000210211 [1,1,0,0,0,0|1,0,1]=4 9519 B10R0.71 CCCC/C=C/COCCC 34a_200016272032_100000210303 [1,1,0,0,0,0|0,0,1]=3 9520 B10R0.71 CCCC/C=C/COCCC 7a_200016272032_100000210303 [1,1,0,0,0,0|0,0,1]=3 9521 B10R0.71 CCCC/C=C/COCCF 34a_200016272032_100011217306 [1,1,0,0,0,0|1,0,1]=4 9522 B10R0.71 CCCC/C=C/COCCF 7a_200016272032_100011217306 [1,1,0,0,0,0|1,0,1]=4 9523 B10R0.71 CCCC/C=C/COCCO 34a_200016272032_100000211926 [1,1,0,0,0,0|1,0,1]=4 9524 B10R0.71 CCCC/C=C/COCCO 7a_200016272032_100000211926 [1,1,0,0,0,0|1,0,1]=4 9525 B10R0.71 CCCC/C=C/COCSC 34a_200016272032_100011218213 [1,1,0,0,0,0|1,0,1]=4 9526 B10R0.71 CCCC/C=C\CCOCC 34a_200016286491_100000210202 [1,1,0,0,0,0|1,0,1]=4 9527 B10R0.71 CCCC/C=C\CCOCC 7a_200016286491_100000210202 [1,1,0,0,0,0|1,0,1]=4 9528 B10R0.71 CCCC=NNCCCCC 4a_100000694160_100000185831 [1,1,0,0,0,0|2,0,0]=4 9529 B10R0.71 CCCCC#CCOCCC 34a_200000034558_100000210303 [1,1,0,0,0,0|0,0,2]=4 9530 B10R0.71 CCCCC#CCOCCC 7a_200000034558_100000210303 [1,1,0,0,0,0|0,0,2]=4 9531 B10R0.71 CCCCC/C=C/COCC 34a_100016258190_100000210202 [1,1,0,0,0,0|1,0,0]=3 9532 B10R0.71 CCCCC/C=C/COCC 7a_100016258190_100000210202 [1,1,0,0,0,0|1,0,0]=3 9533 B10R0.71 CCCCC/C=C/COCF 34a_100016258190_100015361967 [1,1,0,0,0,0|2,0,0]=4 9534 B10R0.71 CCCCC/C=C/COCF 7a_100016258190_100015361967 [1,1,0,0,0,0|2,0,0]=4 9535 B10R0.71 CCCCC/C=C\CCOC 34a_100016277358_200000210301 [1,1,0,0,0,0|1,0,0]=3 9536 B10R0.71 CCCCC/C=C\CCOC 7a_100016277358_200000210301 [1,1,0,0,0,0|1,0,0]=3 9537 B10R0.71 CCCCC/C=C\CCO[13CH3] 34a_100016277358_200025704644 [1,1,0,0,0,0|1,0,0]=3 9538 B10R0.71 CCCCC/C=C\CCO[13CH3] 7a_100016277358_200025704644 [1,1,0,0,0,0|1,0,0]=3 9539 B10R0.71 CCCCC=NNCCCC 4a_100025702795_100000210104 [1,1,0,0,0,0|2,0,0]=4 9540 B10R0.71 CCCCCC#CCCOC 34a_200000042877_200000210301 [1,1,0,0,0,0|1,0,1]=4 9541 B10R0.71 CCCCCC#CCCOC 7a_200000042877_200000210301 [1,1,0,0,0,0|1,0,1]=4 9542 B10R0.71 CCCCCC#CCCO[13CH3] 34a_200000042877_200025704644 [1,1,0,0,0,0|1,0,1]=4 9543 B10R0.71 CCCCCC#CCCO[13CH3] 7a_200000042877_200025704644 [1,1,0,0,0,0|1,0,1]=4 9544 B10R0.71 CCCCCC#CCNCC 2230a_100015525214_100009816472 [1,1,0,0,0,0|1,0,1]=4 9545 B10R0.71 CCCCCC#CCOCC 34a_100121572206_100009816472 [1,1,0,0,0,0|1,0,1]=4 9546 B10R0.71 CCCCCC#CCOCC 34a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 9547 B10R0.71 CCCCCC#CCOCC 7a_200000033628_100000210202 [1,1,0,0,0,0|1,0,1]=4 9548 B10R0.71 CCCCCC#CCSCC 62a_100000210202_100009816472 [1,1,0,0,0,0|1,0,1]=4 9549 B10R0.71 CCCCCC#CCSCC 62a_100009816472_100000210202 [1,1,0,0,0,0|1,0,1]=4 9550 B10R0.71 CCCCCC/C=C/COC 34a_200016276170_200000210301 [1,1,0,0,0,0|2,0,0]=4 9551 B10R0.71 CCCCCC/C=C/COC 7a_200016276170_200000210301 [1,1,0,0,0,0|2,0,0]=4 9552 B10R0.71 CCCCCC/C=C/CO[13CH3] 34a_200016276170_200025704644 [1,1,0,0,0,0|2,0,0]=4 9553 B10R0.71 CCCCCC/C=C/CO[13CH3] 7a_200016276170_200025704644 [1,1,0,0,0,0|2,0,0]=4 9554 B10R0.71 CCCCCC=NNCCC 4a_100000740057_100000737632 [1,1,0,0,0,0|1,0,0]=3 9555 B10R0.71 CCCCCC=NNCCO 4a_100000210001_100000737632 [1,1,0,0,0,0|2,0,0]=4 9556 B10R0.71 CCCCCCC=NNCC 4a_100000756455_100000234349 [1,1,0,0,0,0|2,0,0]=4 9557 B10R0.71 CCCCCCCCCNC 2230a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9558 B10R0.71 CCCCCCCCCNC 2230a_106832991635_100011214924 [1,1,0,0,0,0|1,0,1]=4 9559 B10R0.71 CCCCCCCCCNC 34a_100000212291_200000210301 [1,1,0,0,0,0|1,0,1]=4 9560 B10R0.71 CCCCCCCCCNC 34a_100102657272_100011214924 [1,1,0,0,0,0|1,0,1]=4 9561 B10R0.71 CCCCCCCCCNC 7a_106832991635_100000210328 [1,1,0,0,0,0|1,0,1]=4 9562 B10R0.71 CCCCCCCCCN[13CH3] 2230a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9563 B10R0.71 CCCCCCCCCN[13CH3] 34a_100000212291_200025704644 [1,1,0,0,0,0|1,0,1]=4 9564 B10R0.71 CCCCCCCCCOC 34a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 9565 B10R0.71 CCCCCCCCCOC 34a_100138415774_100011214924 [1,1,0,0,0,0|1,0,1]=4 9566 B10R0.71 CCCCCCCCCOC 7a_100000210712_200000210301 [1,1,0,0,0,0|1,0,1]=4 9567 B10R0.71 CCCCCCCCCO[13CH3] 34a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 9568 B10R0.71 CCCCCCCCCO[13CH3] 7a_100000210712_200025704644 [1,1,0,0,0,0|1,0,1]=4 9569 B10R0.71 CCCCCCCCCSC 62a_200000210301_100000210670 [1,1,0,0,0,0|1,0,1]=4 9570 B10R0.71 CCCCCCCCCS[13CH3] 62a_200025704644_100000210670 [1,1,0,0,0,0|1,0,1]=4 9571 B10R0.71 CCCCCCCCNCC 2230a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9572 B10R0.71 CCCCCCCCNCC 2230a_100015525214_100000210759 [1,1,0,0,0,0|1,0,1]=4 9573 B10R0.71 CCCCCCCCNCC 34a_100000229939_100000210202 [1,1,0,0,0,0|1,0,1]=4 9574 B10R0.71 CCCCCCCCOCC 34a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 9575 B10R0.71 CCCCCCCCOCC 34a_100121572206_100000210759 [1,1,0,0,0,0|1,0,1]=4 9576 B10R0.71 CCCCCCCCOCC 7a_100000210232_100000210202 [1,1,0,0,0,0|1,0,1]=4 9577 B10R0.71 CCCCCCCCSCC 62a_100000210202_100000210317 [1,1,0,0,0,0|1,0,1]=4 9578 B10R0.71 CCCCCCCCSCC 62a_100000210759_100000210202 [1,1,0,0,0,0|1,0,1]=4 9579 B10R0.71 CCCCCCCNCCC 2230a_100000229938_100000210303 [1,1,0,0,0,0|1,0,1]=4 9580 B10R0.71 CCCCCCCOCCBr 34a_100000211926_100000210614 [1,1,0,0,0,0|1,0,1]=4 9581 B10R0.71 CCCCCCCOCCC 34a_100000210258_100000210614 [1,1,0,0,0,0|0,0,1]=3 9582 B10R0.71 CCCCCCCOCCC 34a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 9583 B10R0.71 CCCCCCCOCCC 7a_100000210272_100000210303 [1,1,0,0,0,0|0,0,1]=3 9584 B10R0.71 CCCCCCCOCCF 34a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 9585 B10R0.71 CCCCCCCOCCF 7a_100000210272_100011217306 [1,1,0,0,0,0|1,0,1]=4 9586 B10R0.71 CCCCCCCOCCN 34a_100000210304_100000210614 [1,1,0,0,0,0|1,0,1]=4 9587 B10R0.71 CCCCCCCOCCO 34a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 9588 B10R0.71 CCCCCCCOCCO 7a_100000210272_100000211926 [1,1,0,0,0,0|1,0,1]=4 9589 B10R0.71 CCCCCCCOCSC 34a_100000210272_100011218213 [1,1,0,0,0,0|1,0,1]=4 9590 B10R0.71 CCCCCCCSCCC 62a_100000210303_100000210316 [1,1,0,0,0,0|0,1,1]=4 9591 B10R0.71 CCCCCCCSCCC 62a_100000210614_100000210303 [1,1,0,0,0,0|0,1,1]=4 9592 B10R0.71 CCCCCCNCCCC 2230a_100000102301_100000210314 [1,1,0,0,0,0|1,0,1]=4 9593 B10R0.71 CCCCCCNCCCC 2230a_100000210581_100000210211 [1,1,0,0,0,0|1,0,1]=4 9594 B10R0.71 CCCCCCNCCCC 7a_106832991798_100000210314 [1,1,0,0,0,0|1,0,1]=4 9595 B10R0.71 CCCCCCNCCCF 2230a_100000210581_100011934791 [1,1,0,0,0,0|1,0,1]=4 9596 B10R0.71 CCCCCCNCCCF 2230a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 9597 B10R0.71 CCCCCCNCCCF 34a_100015189416_100000210314 [1,1,0,0,0,0|1,0,1]=4 9598 B10R0.71 CCCCCCNCCCO 2230a_100000210581_100000230001 [1,1,0,0,0,0|1,0,1]=4 9599 B10R0.71 CCCCCCNCCOC 2230a_100000209980_100000210314 [1,1,0,0,0,0|1,0,1]=4 9600 B10R0.71 CCCCCCNCCOC 2230a_100000210581_100011201679 [1,1,0,0,0,0|1,0,1]=4 9601 B10R0.71 CCCCCCNCCSC 2230a_100000210581_100000751147 [1,1,0,0,0,0|1,0,1]=4 9602 B10R0.71 CCCCCCNCCSC 2230a_100020590264_100000210314 [1,1,0,0,0,0|1,0,1]=4 9603 B10R0.71 CCCCCCOCCC#N 7a_100000210259_100000184422 [1,1,0,0,0,0|0,0,2]=4 9604 B10R0.71 CCCCCCOCCCBr 34a_100011217188_100000210314 [1,1,0,0,0,0|0,0,1]=3 9605 B10R0.71 CCCCCCOCCCC 34a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 9606 B10R0.71 CCCCCCOCCCC 34a_100000210259_100000210210 [1,1,0,0,0,0|0,0,1]=3 9607 B10R0.71 CCCCCCOCCCC 7a_100000210227_100000210314 [1,1,0,0,0,0|0,0,1]=3 9608 B10R0.71 CCCCCCOCCCC 7a_100000210259_100000210211 [1,1,0,0,0,0|0,0,1]=3 9609 B10R0.71 CCCCCCOCCCCl 34a_100000230001_100000210314 [1,1,0,0,0,0|0,0,1]=3 9610 B10R0.71 CCCCCCOCCCF 34a_100000210259_100011934791 [1,1,0,0,0,0|0,0,1]=3 9611 B10R0.71 CCCCCCOCCCF 34a_100000759539_100000210314 [1,1,0,0,0,0|0,0,1]=3 9612 B10R0.71 CCCCCCOCCCF 7a_100000210259_100011934791 [1,1,0,0,0,0|0,0,1]=3 9613 B10R0.71 CCCCCCOCCCN 34a_100000182051_100000210314 [1,1,0,0,0,0|0,0,1]=3 9614 B10R0.71 CCCCCCOCCCO 34a_100000210259_100000230001 [1,1,0,0,0,0|0,0,1]=3 9615 B10R0.71 CCCCCCOCCCO 7a_100000210259_100011215043 [1,1,0,0,0,0|0,0,1]=3 9616 B10R0.71 CCCCCCOCCOC 34a_100000210237_100000210314 [1,1,0,0,0,0|0,0,1]=3 9617 B10R0.71 CCCCCCOCCOC 34a_100000210259_100011201679 [1,1,0,0,0,0|0,0,1]=3 9618 B10R0.71 CCCCCCOCCOC 34a_100000691444_200000210301 [1,1,0,0,0,0|0,0,1]=3 9619 B10R0.71 CCCCCCOCCOC 7a_100000210259_100000233755 [1,1,0,0,0,0|0,0,1]=3 9620 B10R0.71 CCCCCCOCCOC 7a_100000691444_200000210301 [1,1,0,0,0,0|0,0,1]=3 9621 B10R0.71 CCCCCCOCCON 34a_100000700252_100000210314 [1,1,0,0,0,0|1,0,1]=4 9622 B10R0.71 CCCCCCOCCO[13CH3] 34a_100000691444_200025704644 [1,1,0,0,0,0|0,0,1]=3 9623 B10R0.71 CCCCCCOCCO[13CH3] 7a_100000691444_200025704644 [1,1,0,0,0,0|0,0,1]=3 9624 B10R0.71 CCCCCCOCCSC 34a_100000210259_100000212216 [1,1,0,0,0,0|0,0,1]=3 9625 B10R0.71 CCCCCCOCCSC 34a_100000230434_100000210314 [1,1,0,0,0,0|0,0,1]=3 9626 B10R0.71 CCCCCCOCCSC 7a_100000210259_100000212216 [1,1,0,0,0,0|0,0,1]=3 9627 B10R0.71 CCCCCCOCCSC 7a_100000230434_100000210314 [1,1,0,0,0,0|0,0,1]=3 9628 B10R0.71 CCCCCCSCCCC 62a_100000210211_100000210757 [1,1,0,0,0,0|0,1,1]=4 9629 B10R0.71 CCCCCCSCCCC 62a_100000210314_100000210210 [1,1,0,0,0,0|0,1,1]=4 9630 B10R0.71 CCCCCCSCCCF 62a_100000210314_100011934791 [1,1,0,0,0,0|0,1,1]=4 9631 B10R0.71 CCCCCCSCCCF 62a_100011934791_100000210757 [1,1,0,0,0,0|0,1,1]=4 9632 B10R0.71 CCCCCCSCCCO 62a_100000210314_100011215043 [1,1,0,0,0,0|0,1,1]=4 9633 B10R0.71 CCCCCCSCCCO 62a_100011215043_100000210757 [1,1,0,0,0,0|0,1,1]=4 9634 B10R0.71 CCCCCCSCCOC 62a_100000210314_100000233755 [1,1,0,0,0,0|0,1,1]=4 9635 B10R0.71 CCCCCCSCCOC 62a_100000233755_100000210757 [1,1,0,0,0,0|0,1,1]=4 9636 B10R0.71 CCCCCCSCCSC 62a_100000210314_100000751147 [1,1,0,0,0,0|0,1,1]=4 9637 B10R0.71 CCCCCCSCCSC 62a_100000212216_100000210757 [1,1,0,0,0,0|0,1,1]=4 9638 B10R0.71 CCCCCCSCOCC 62a_100000210314_100000739092 [1,1,0,0,0,0|0,1,1]=4 9639 B10R0.71 CCCCCCSCOCC 62a_100000739092_100000210757 [1,1,0,0,0,0|0,1,1]=4 9640 B10R0.71 CCCCCNCCCCC 2230a_100000209983_100000210326 [1,1,0,0,0,0|1,0,1]=4 9641 B10R0.71 CCCCCNCCCCF 2230a_100000209983_100000729493 [1,1,0,0,0,0|2,0,0]=4 9642 B10R0.71 CCCCCNCCCCO 2230a_100000209983_100000210776 [1,1,0,0,0,0|2,0,0]=4 9643 B10R0.71 CCCCCNCCCCO 2230a_100000750430_100000210326 [1,1,0,0,0,0|2,0,0]=4 9644 B10R0.71 CCCCCNCCCCO 34a_100000750430_100000718602 [1,1,0,0,0,0|2,0,0]=4 9645 B10R0.71 CCCCCNCCCOC 2230a_100000209983_100000740836 [1,1,0,0,0,0|2,0,0]=4 9646 B10R0.71 CCCCCNCCCOC 34a_100150723488_100000718602 [1,1,0,0,0,0|2,0,0]=4 9647 B10R0.71 CCCCCNCCCSC 2230a_100000749238_100000210326 [1,1,0,0,0,0|2,0,0]=4 9648 B10R0.71 CCCCCNCCOCC 2230a_100000209983_100011215890 [1,1,0,0,0,0|2,0,0]=4 9649 B10R0.71 CCCCCNCCOCC 2230a_102516460346_100000210326 [1,1,0,0,0,0|2,0,0]=4 9650 B10R0.71 CCCCCNCCOCC 34a_100000224656_100000210202 [1,1,0,0,0,0|2,0,0]=4 9651 B10R0.71 CCCCCNCCOCC 34a_102516460346_100000718602 [1,1,0,0,0,0|2,0,0]=4 9652 B10R0.71 CCCCCNCCSCC 2230a_100000106463_100000210326 [1,1,0,0,0,0|2,0,0]=4 9653 B10R0.71 CCCCCNCCSCC 2230a_100000209983_100000757381 [1,1,0,0,0,0|2,0,0]=4 9654 B10R0.71 CCCCCOCCCCBr 34a_100011216708_100000718602 [1,1,0,0,0,0|2,0,0]=4 9655 B10R0.71 CCCCCOCCCCC 34a_100000210253_100000718602 [1,1,0,0,0,0|1,0,1]=4 9656 B10R0.71 CCCCCOCCCCC 7a_100000210253_100000210326 [1,1,0,0,0,0|1,0,1]=4 9657 B10R0.71 CCCCCOCCCCCl 34a_100000210776_100000718602 [1,1,0,0,0,0|2,0,0]=4 9658 B10R0.71 CCCCCOCCCCCl 7a_100000210776_100000210326 [1,1,0,0,0,0|2,0,0]=4 9659 B10R0.71 CCCCCOCCCCF 34a_100000210253_100000729493 [1,1,0,0,0,0|2,0,0]=4 9660 B10R0.71 CCCCCOCCCCF 34a_100011995726_100000718602 [1,1,0,0,0,0|2,0,0]=4 9661 B10R0.71 CCCCCOCCCCF 7a_100000210253_100000729493 [1,1,0,0,0,0|2,0,0]=4 9662 B10R0.71 CCCCCOCCCCF 7a_100011995726_100000210326 [1,1,0,0,0,0|2,0,0]=4 9663 B10R0.71 CCCCCOCCCCI 34a_200012148704_100000718602 [1,1,0,0,0,0|2,0,0]=4 9664 B10R0.71 CCCCCOCCCCN 34a_100000750430_100000718602 [1,1,0,0,0,0|2,0,0]=4 9665 B10R0.71 CCCCCOCCCCO 34a_100000210253_100011216708 [1,1,0,0,0,0|2,0,0]=4 9666 B10R0.71 CCCCCOCCCCO 7a_100000210253_100000210776 [1,1,0,0,0,0|2,0,0]=4 9667 B10R0.71 CCCCCOCCCNC 34a_100000213112_100000718602 [1,1,0,0,0,0|2,0,0]=4 9668 B10R0.71 CCCCCOCCCOC 34a_100000210253_100000740836 [1,1,0,0,0,0|2,0,0]=4 9669 B10R0.71 CCCCCOCCCOC 34a_100000740835_100000718602 [1,1,0,0,0,0|2,0,0]=4 9670 B10R0.71 CCCCCOCCCOC 7a_100000210253_100000740836 [1,1,0,0,0,0|2,0,0]=4 9671 B10R0.71 CCCCCOCCCSC 34a_100000690336_100000718602 [1,1,0,0,0,0|2,0,0]=4 9672 B10R0.71 CCCCCOCCCSC 7a_100000690336_100000210326 [1,1,0,0,0,0|2,0,0]=4 9673 B10R0.71 CCCCCOCCOCC 34a_100000210136_100000718602 [1,1,0,0,0,0|2,0,0]=4 9674 B10R0.71 CCCCCOCCOCC 34a_100000210253_100000210147 [1,1,0,0,0,0|2,0,0]=4 9675 B10R0.71 CCCCCOCCOCC 34a_100011215259_100000210202 [1,1,0,0,0,0|2,0,0]=4 9676 B10R0.71 CCCCCOCCOCC 7a_100000210136_100000210326 [1,1,0,0,0,0|2,0,0]=4 9677 B10R0.71 CCCCCOCCOCC 7a_100000210253_100011215890 [1,1,0,0,0,0|2,0,0]=4 9678 B10R0.71 CCCCCOCCOCC 7a_100011215259_100000210202 [1,1,0,0,0,0|2,0,0]=4 9679 B10R0.71 CCCCCOCCSCC 34a_100000210253_100000757381 [1,1,0,0,0,0|2,0,0]=4 9680 B10R0.71 CCCCCOCCSCC 34a_100000212035_100000718602 [1,1,0,0,0,0|2,0,0]=4 9681 B10R0.71 CCCCCOCCSCC 7a_100000210253_100000757381 [1,1,0,0,0,0|2,0,0]=4 9682 B10R0.71 CCCCCOCCSCC 7a_100000212035_100000210326 [1,1,0,0,0,0|2,0,0]=4 9683 B10R0.71 CCCCCSCCCCC 62a_100000210326_100000210326 [1,1,0,0,0,0|1,0,1]=4 9684 B10R0.71 CCCCCSCCCCF 62a_100000210326_100000729493 [1,1,0,0,0,0|2,0,0]=4 9685 B10R0.71 CCCCCSCCCCF 62a_100000729493_100000210326 [1,1,0,0,0,0|2,0,0]=4 9686 B10R0.71 CCCCCSCCCCO 62a_100000210326_100000210776 [1,1,0,0,0,0|2,0,0]=4 9687 B10R0.71 CCCCCSCCCCO 62a_100000210776_100000210326 [1,1,0,0,0,0|2,0,0]=4 9688 B10R0.71 CCCCCSCCCOC 62a_100000210326_100000709357 [1,1,0,0,0,0|2,0,0]=4 9689 B10R0.71 CCCCCSCCCOC 62a_100000709357_100000210326 [1,1,0,0,0,0|2,0,0]=4 9690 B10R0.71 CCCCCSCCOCC 62a_100000210147_100000210326 [1,1,0,0,0,0|2,0,0]=4 9691 B10R0.71 CCCCCSCCOCC 62a_100000210326_100011215890 [1,1,0,0,0,0|2,0,0]=4 9692 B10R0.71 CCCCCSCCSCC 62a_100000210326_100000757381 [1,1,0,0,0,0|2,0,0]=4 9693 B10R0.71 CCCCCSCCSCC 62a_100000757381_100000210326 [1,1,0,0,0,0|2,0,0]=4 9694 B10R0.71 CCCCNCCCCCF 2230a_100000102301_100000729378 [1,1,0,0,0,0|2,0,0]=4 9695 B10R0.71 CCCCNCCCCCF 7a_106832991798_100000729378 [1,1,0,0,0,0|2,0,0]=4 9696 B10R0.71 CCCCNCCCCCO 2230a_100000102301_100000746330 [1,1,0,0,0,0|2,0,0]=4 9697 B10R0.71 CCCCNCCCCCO 2230a_100000762737_100000210211 [1,1,0,0,0,0|2,0,0]=4 9698 B10R0.71 CCCCNCCCCCO 34a_100000762737_100000210210 [1,1,0,0,0,0|2,0,0]=4 9699 B10R0.71 CCCCNCCCCCO 7a_106832991798_100000746330 [1,1,0,0,0,0|2,0,0]=4 9700 B10R0.71 CCCCNCCCCOC 2230a_100000102301_100000730899 [1,1,0,0,0,0|2,0,0]=4 9701 B10R0.71 CCCCNCCCCOC 34a_200011216965_200000210301 [1,1,0,0,0,0|2,0,0]=4 9702 B10R0.71 CCCCNCCCCOC 7a_106832991798_100000730899 [1,1,0,0,0,0|2,0,0]=4 9703 B10R0.71 CCCCNCCCCO[13CH3] 34a_200011216965_200025704644 [1,1,0,0,0,0|2,0,0]=4 9704 B10R0.71 CCCCNCCCOCC 2230a_100000102301_100012232248 [1,1,0,0,0,0|2,0,0]=4 9705 B10R0.71 CCCCNCCCOCC 2230a_100000210961_100000210211 [1,1,0,0,0,0|2,0,0]=4 9706 B10R0.71 CCCCNCCCOCC 34a_100000210961_100000210210 [1,1,0,0,0,0|2,0,0]=4 9707 B10R0.71 CCCCNCCCOCC 7a_106832991798_100012232248 [1,1,0,0,0,0|2,0,0]=4 9708 B10R0.71 CCCCNCCOCCC 2230a_100000102301_100011215938 [1,1,0,0,0,0|0,0,1]=3 9709 B10R0.71 CCCCNCCOCCC 2230a_100161115042_100000210211 [1,1,0,0,0,0|0,0,1]=3 9710 B10R0.71 CCCCNCCOCCC 34a_100161115042_100000210210 [1,1,0,0,0,0|0,0,1]=3 9711 B10R0.71 CCCCNCCOCCC 7a_106832991798_100011215938 [1,1,0,0,0,0|0,0,1]=3 9712 B10R0.71 CCCCNCCOCCO 2230a_100000102301_100011215305 [1,1,0,0,0,0|1,0,1]=4 9713 B10R0.71 CCCCNCCOCCO 2230a_100000211614_100000210211 [1,1,0,0,0,0|1,0,1]=4 9714 B10R0.71 CCCCNCCOCCO 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 9715 B10R0.71 CCCCNCCOCCO 7a_106832991798_100011215305 [1,1,0,0,0,0|1,0,1]=4 9716 B10R0.71 CCCCNCCSCCC 2230a_100020603323_100000210211 [1,1,0,0,0,0|0,1,1]=4 9717 B10R0.71 CCCCNCOCCCC 2230a_100000102301_100011995733 [1,1,0,0,0,0|1,0,1]=4 9718 B10R0.71 CCCCNCOCCOC 2230a_100000102301_100000231047 [1,1,0,0,0,0|1,0,1]=4 9719 B10R0.71 CCCCOCCCCCBr 34a_100000746331_100000210210 [1,1,0,0,0,0|1,0,1]=4 9720 B10R0.71 CCCCOCCCCCBr 7a_100000746331_100000210211 [1,1,0,0,0,0|1,0,1]=4 9721 B10R0.71 CCCCOCCCCCCl 34a_100000746330_100000210210 [1,1,0,0,0,0|1,0,1]=4 9722 B10R0.71 CCCCOCCCCCCl 7a_100000746330_100000210211 [1,1,0,0,0,0|1,0,1]=4 9723 B10R0.71 CCCCOCCCCCF 34a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 9724 B10R0.71 CCCCOCCCCCF 7a_100000210227_100000729378 [1,1,0,0,0,0|1,0,1]=4 9725 B10R0.71 CCCCOCCCCCI 34a_200012148887_100000210210 [1,1,0,0,0,0|1,0,1]=4 9726 B10R0.71 CCCCOCCCCCI 7a_200012148887_100000210211 [1,1,0,0,0,0|1,0,1]=4 9727 B10R0.71 CCCCOCCCCCN 34a_100000762737_100000210210 [1,1,0,0,0,0|1,0,1]=4 9728 B10R0.71 CCCCOCCCCCO 34a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 9729 B10R0.71 CCCCOCCCCCO 7a_100000210227_100000746330 [1,1,0,0,0,0|1,0,1]=4 9730 B10R0.71 CCCCOCCCCOC 34a_100000210227_100000755781 [1,1,0,0,0,0|1,0,1]=4 9731 B10R0.71 CCCCOCCCCOC 34a_100000740925_100000210210 [1,1,0,0,0,0|1,0,1]=4 9732 B10R0.71 CCCCOCCCCOC 34a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 9733 B10R0.71 CCCCOCCCCOC 7a_100000210227_100000730899 [1,1,0,0,0,0|1,0,1]=4 9734 B10R0.71 CCCCOCCCCOC 7a_200000760531_200000210301 [1,1,0,0,0,0|1,0,1]=4 9735 B10R0.71 CCCCOCCCCO[13CH3] 34a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 9736 B10R0.71 CCCCOCCCCO[13CH3] 7a_200000760531_200025704644 [1,1,0,0,0,0|1,0,1]=4 9737 B10R0.71 CCCCOCCCCSC 34a_100011217163_100000210210 [1,1,0,0,0,0|1,0,1]=4 9738 B10R0.71 CCCCOCCCCSC 7a_100011217163_100000210211 [1,1,0,0,0,0|1,0,1]=4 9739 B10R0.71 CCCCOCCCNCC 2230a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 9740 B10R0.71 CCCCOCCCNCC 34a_200000211371_100000210202 [1,1,0,0,0,0|1,0,1]=4 9741 B10R0.71 CCCCOCCCOCC 34a_100000210227_100012232248 [1,1,0,0,0,0|1,0,1]=4 9742 B10R0.71 CCCCOCCCOCC 34a_100000757476_100000210210 [1,1,0,0,0,0|1,0,1]=4 9743 B10R0.71 CCCCOCCCOCC 34a_200011215613_100000210202 [1,1,0,0,0,0|1,0,1]=4 9744 B10R0.71 CCCCOCCCOCC 7a_100000210227_100012232248 [1,1,0,0,0,0|1,0,1]=4 9745 B10R0.71 CCCCOCCCOCC 7a_100000757476_100000210211 [1,1,0,0,0,0|1,0,1]=4 9746 B10R0.71 CCCCOCCCOCC 7a_200011215613_100000210202 [1,1,0,0,0,0|1,0,1]=4 9747 B10R0.71 CCCCOCCCSCC 34a_100011216438_100000210210 [1,1,0,0,0,0|1,0,1]=4 9748 B10R0.71 CCCCOCCCSCC 7a_100011216438_100000210211 [1,1,0,0,0,0|1,0,1]=4 9749 B10R0.71 CCCCOCCOCCBr 34a_100000211926_100000743108 [1,1,0,0,0,0|1,0,1]=4 9750 B10R0.71 CCCCOCCOCCBr 34a_100000692535_100000210210 [1,1,0,0,0,0|1,0,1]=4 9751 B10R0.71 CCCCOCCOCCBr 7a_100000692535_100000210211 [1,1,0,0,0,0|1,0,1]=4 9752 B10R0.71 CCCCOCCOCCC 34a_100000210227_100011215938 [1,1,0,0,0,0|0,0,1]=3 9753 B10R0.71 CCCCOCCOCCC 34a_100000210238_100000210303 [1,1,0,0,0,0|0,0,1]=3 9754 B10R0.71 CCCCOCCOCCC 34a_100000210258_100000743108 [1,1,0,0,0,0|0,0,1]=3 9755 B10R0.71 CCCCOCCOCCC 34a_100000752267_100000210210 [1,1,0,0,0,0|0,0,1]=3 9756 B10R0.71 CCCCOCCOCCC 7a_100000210227_100011215938 [1,1,0,0,0,0|0,0,1]=3 9757 B10R0.71 CCCCOCCOCCC 7a_100000210238_100000210303 [1,1,0,0,0,0|0,0,1]=3 9758 B10R0.71 CCCCOCCOCCC 7a_100000752267_100000210211 [1,1,0,0,0,0|0,0,1]=3 9759 B10R0.71 CCCCOCCOCCCl 34a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 9760 B10R0.71 CCCCOCCOCCCl 7a_100011215305_100000210211 [1,1,0,0,0,0|1,0,1]=4 9761 B10R0.71 CCCCOCCOCCF 34a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 9762 B10R0.71 CCCCOCCOCCF 34a_200015357709_100000210210 [1,1,0,0,0,0|1,0,1]=4 9763 B10R0.71 CCCCOCCOCCF 7a_100000210238_100011217306 [1,1,0,0,0,0|1,0,1]=4 9764 B10R0.71 CCCCOCCOCCF 7a_200015357709_100000210211 [1,1,0,0,0,0|1,0,1]=4 9765 B10R0.71 CCCCOCCOCCI 34a_100012149058_100000210210 [1,1,0,0,0,0|1,0,1]=4 9766 B10R0.71 CCCCOCCOCCI 7a_100012149058_100000210211 [1,1,0,0,0,0|1,0,1]=4 9767 B10R0.71 CCCCOCCOCCN 34a_100000210304_100000743108 [1,1,0,0,0,0|1,0,1]=4 9768 B10R0.71 CCCCOCCOCCN 34a_100000211614_100000210210 [1,1,0,0,0,0|1,0,1]=4 9769 B10R0.71 CCCCOCCOCCO 34a_100000210227_100000692535 [1,1,0,0,0,0|1,0,1]=4 9770 B10R0.71 CCCCOCCOCCO 34a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 9771 B10R0.71 CCCCOCCOCCO 7a_100000210227_100011215305 [1,1,0,0,0,0|1,0,1]=4 9772 B10R0.71 CCCCOCCOCCO 7a_100000210238_100000211926 [1,1,0,0,0,0|1,0,1]=4 9773 B10R0.71 CCCCOCCOCSC 34a_100000210238_100011218213 [1,1,0,0,0,0|1,0,1]=4 9774 B10R0.71 CCCCOCCSCCC 34a_200000230433_100000210210 [1,1,0,0,0,0|0,1,1]=4 9775 B10R0.71 CCCCOCCSCCC 62a_100000210303_100000743108 [1,1,0,0,0,0|0,1,1]=4 9776 B10R0.71 CCCCOCCSCCC 62a_100000743108_100000210303 [1,1,0,0,0,0|0,1,1]=4 9777 B10R0.71 CCCCOCCSCCC 7a_200000230433_100000210211 [1,1,0,0,0,0|0,1,1]=4 9778 B10R0.71 CCCCOCOCCCBr 34a_100011217188_100011995733 [1,1,0,0,0,0|1,0,1]=4 9779 B10R0.71 CCCCOCOCCCC 34a_100000210227_100011995733 [1,1,0,0,0,0|1,0,1]=4 9780 B10R0.71 CCCCOCOCCCCl 34a_100000230001_100011995733 [1,1,0,0,0,0|1,0,1]=4 9781 B10R0.71 CCCCOCOCCCF 34a_100000759539_100011995733 [1,1,0,0,0,0|1,0,1]=4 9782 B10R0.71 CCCCOCOCCCN 34a_100000182051_100011995733 [1,1,0,0,0,0|1,0,1]=4 9783 B10R0.71 CCCCOCOCCOC 34a_100000210237_100011995733 [1,1,0,0,0,0|1,0,1]=4 9784 B10R0.71 CCCCOCOCCSC 34a_100000230434_100011995733 [1,1,0,0,0,0|1,0,1]=4 9785 B10R0.71 CCCCOCSCCCC 62a_100000210211_100011995733 [1,1,0,0,0,0|1,0,1]=4 9786 B10R0.71 CCCCOCSCCCC 62a_100011995733_100000210210 [1,1,0,0,0,0|1,0,1]=4 9787 B10R0.71 CCCCSCCCCCF 62a_100000210211_100000729378 [1,1,0,0,0,0|2,0,0]=4 9788 B10R0.71 CCCCSCCCCCF 62a_100000729378_100000210210 [1,1,0,0,0,0|2,0,0]=4 9789 B10R0.71 CCCCSCCCCCO 62a_100000210211_100000746330 [1,1,0,0,0,0|2,0,0]=4 9790 B10R0.71 CCCCSCCCCCO 62a_100000746330_100000210210 [1,1,0,0,0,0|2,0,0]=4 9791 B10R0.71 CCCCSCCCCOC 62a_100000210211_100000730899 [1,1,0,0,0,0|2,0,0]=4 9792 B10R0.71 CCCCSCCCCOC 62a_100000730899_100000210210 [1,1,0,0,0,0|2,0,0]=4 9793 B10R0.71 CCCCSCCCOCC 62a_100000210211_100012232248 [1,1,0,0,0,0|2,0,0]=4 9794 B10R0.71 CCCCSCCCOCC 62a_100012232248_100000210210 [1,1,0,0,0,0|2,0,0]=4 9795 B10R0.71 CCCCSCCNCCC 2230a_100025743550_100000210303 [1,1,0,0,0,0|1,0,1]=4 9796 B10R0.71 CCCCSCCOCCC 34a_200000230436_100000210303 [1,1,0,0,0,0|0,0,1]=3 9797 B10R0.71 CCCCSCCOCCC 62a_100000210211_100011215938 [1,1,0,0,0,0|0,0,1]=3 9798 B10R0.71 CCCCSCCOCCC 62a_100011215938_100000210210 [1,1,0,0,0,0|0,0,1]=3 9799 B10R0.71 CCCCSCCOCCC 7a_200000230436_100000210303 [1,1,0,0,0,0|0,0,1]=3 9800 B10R0.71 CCCCSCCOCCF 34a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 9801 B10R0.71 CCCCSCCOCCF 7a_200000230436_100011217306 [1,1,0,0,0,0|1,0,1]=4 9802 B10R0.71 CCCCSCCOCCO 34a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 9803 B10R0.71 CCCCSCCOCCO 62a_100000210211_100011215305 [1,1,0,0,0,0|1,0,1]=4 9804 B10R0.71 CCCCSCCOCCO 62a_100011215305_100000210210 [1,1,0,0,0,0|1,0,1]=4 9805 B10R0.71 CCCCSCCOCCO 7a_200000230436_100000211926 [1,1,0,0,0,0|1,0,1]=4 9806 B10R0.71 CCCCSCCOCSC 34a_200000230436_100011218213 [1,1,0,0,0,0|1,0,1]=4 9807 B10R0.71 CCCCSCOCCOC 62a_100000210211_100000231047 [1,1,0,0,0,0|1,0,1]=4 9808 B10R0.71 CCCCSCOCCOC 62a_100000231047_100000210210 [1,1,0,0,0,0|1,0,1]=4 9809 B10R0.71 CCCNCCCCCCO 2230a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 9810 B10R0.71 CCCNCCCCCCO 34a_100000686447_100000210303 [1,1,0,0,0,0|1,0,1]=4 9811 B10R0.71 CCCNCCCCCOC 2230a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 9812 B10R0.71 CCCNCCCCCOC 34a_100000747528_100000210303 [1,1,0,0,0,0|1,0,1]=4 9813 B10R0.71 CCCNCCCOCCC 2230a_100011217757_100000210303 [1,1,0,0,0,0|0,0,1]=3 9814 B10R0.71 CCCNCCCOCCC 34a_100011217757_100000210303 [1,1,0,0,0,0|0,0,1]=3 9815 B10R0.71 CCCNCCOCCOC 2230a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 9816 B10R0.71 CCCNCCOCCOC 34a_100000745349_100000210303 [1,1,0,0,0,0|1,0,1]=4 9817 B10R0.71 CCCNN=CCCCCO 4a_100000740057_100000031955 [1,1,0,0,0,0|2,0,0]=4 9818 B10R0.71 CCCOCCCCCCBr 34a_100011215345_100000210303 [1,1,0,0,0,0|0,0,1]=3 9819 B10R0.71 CCCOCCCCCCBr 7a_100011215345_100000210303 [1,1,0,0,0,0|0,0,1]=3 9820 B10R0.71 CCCOCCCCCCCl 34a_100000766143_100000210303 [1,1,0,0,0,0|0,0,1]=3 9821 B10R0.71 CCCOCCCCCCCl 7a_100000766143_100000210303 [1,1,0,0,0,0|0,0,1]=3 9822 B10R0.71 CCCOCCCCCCF 34a_100000210258_100015922095 [1,1,0,0,0,0|0,0,1]=3 9823 B10R0.71 CCCOCCCCCCF 34a_100000732779_100000210303 [1,1,0,0,0,0|0,0,1]=3 9824 B10R0.71 CCCOCCCCCCF 7a_100000732779_100000210303 [1,1,0,0,0,0|0,0,1]=3 9825 B10R0.71 CCCOCCCCCCN 34a_100000686447_100000210303 [1,1,0,0,0,0|0,0,1]=3 9826 B10R0.71 CCCOCCCCCCO 34a_100000210258_100000766143 [1,1,0,0,0,0|0,0,1]=3 9827 B10R0.71 CCCOCCCCCNC 34a_100000722520_100000210303 [1,1,0,0,0,0|0,0,1]=3 9828 B10R0.71 CCCOCCCNCCF 2230a_100011217757_100011217306 [1,1,0,0,0,0|1,0,1]=4 9829 B10R0.71 CCCOCCCNCCF 34a_100011217757_100011217306 [1,1,0,0,0,0|1,0,1]=4 9830 B10R0.71 CCCOCCCNCCO 2230a_100011217757_100000211926 [1,1,0,0,0,0|1,0,1]=4 9831 B10R0.71 CCCOCCCNCCO 34a_100011217757_100000211926 [1,1,0,0,0,0|1,0,1]=4 9832 B10R0.71 CCCOCCCNCOC 2230a_100011217757_100000766300 [1,1,0,0,0,0|1,0,1]=4 9833 B10R0.71 CCCOCCCNCSC 2230a_100011217757_100011218213 [1,1,0,0,0,0|1,0,1]=4 9834 B10R0.71 CCCOCCCNCSC 34a_100011217757_100011218213 [1,1,0,0,0,0|1,0,1]=4 9835 B10R0.71 CCCOCCNCCCF 2230a_100015189416_100011215938 [1,1,0,0,0,0|1,0,1]=4 9836 B10R0.71 CCCOCCNCCCF 2230a_100161115042_100011934791 [1,1,0,0,0,0|1,0,1]=4 9837 B10R0.71 CCCOCCNCCCF 34a_100015189416_100011215938 [1,1,0,0,0,0|1,0,1]=4 9838 B10R0.71 CCCOCCNCCCF 34a_100161115042_100011934791 [1,1,0,0,0,0|1,0,1]=4 9839 B10R0.71 CCCOCCNCCCO 2230a_100161115042_100000230001 [1,1,0,0,0,0|1,0,1]=4 9840 B10R0.71 CCCOCCNCCCO 34a_100161115042_100000230001 [1,1,0,0,0,0|1,0,1]=4 9841 B10R0.71 CCCOCCNCCOC 2230a_100000209980_100011215938 [1,1,0,0,0,0|1,0,1]=4 9842 B10R0.71 CCCOCCNCCOC 2230a_100161115042_100011201679 [1,1,0,0,0,0|1,0,1]=4 9843 B10R0.71 CCCOCCNCCOC 34a_100161115042_100011201679 [1,1,0,0,0,0|1,0,1]=4 9844 B10R0.71 CCCOCCNCCSC 2230a_100020590264_100011215938 [1,1,0,0,0,0|1,0,1]=4 9845 B10R0.71 CCCOCCNCCSC 2230a_100161115042_100000751147 [1,1,0,0,0,0|1,0,1]=4 9846 B10R0.71 CCCOCCNCCSC 34a_100161115042_100000212216 [1,1,0,0,0,0|1,0,1]=4 9847 B10R0.71 CCCOCCOCCCBr 34a_100011217188_100011215938 [1,1,0,0,0,0|1,0,1]=4 9848 B10R0.71 CCCOCCOCCCCl 34a_100000230001_100011215938 [1,1,0,0,0,0|1,0,1]=4 9849 B10R0.71 CCCOCCOCCCF 34a_100000752267_100011934791 [1,1,0,0,0,0|1,0,1]=4 9850 B10R0.71 CCCOCCOCCCF 34a_100000759539_100011215938 [1,1,0,0,0,0|1,0,1]=4 9851 B10R0.71 CCCOCCOCCCF 7a_100000752267_100011934791 [1,1,0,0,0,0|1,0,1]=4 9852 B10R0.71 CCCOCCOCCCN 34a_100000182051_100011215938 [1,1,0,0,0,0|1,0,1]=4 9853 B10R0.71 CCCOCCOCCCO 34a_100000752267_100000230001 [1,1,0,0,0,0|1,0,1]=4 9854 B10R0.71 CCCOCCOCCCO 7a_100000752267_100011215043 [1,1,0,0,0,0|1,0,1]=4 9855 B10R0.71 CCCOCCOCCNC 2230a_200011904461_200000210301 [1,1,0,0,0,0|1,0,1]=4 9856 B10R0.71 CCCOCCOCCNC 34a_100000228057_100000210303 [1,1,0,0,0,0|1,0,1]=4 9857 B10R0.71 CCCOCCOCCNC 34a_200011904461_200000210301 [1,1,0,0,0,0|1,0,1]=4 9858 B10R0.71 CCCOCCOCCN[13CH3] 2230a_200011904461_200025704644 [1,1,0,0,0,0|1,0,1]=4 9859 B10R0.71 CCCOCCOCCN[13CH3] 34a_200011904461_200025704644 [1,1,0,0,0,0|1,0,1]=4 9860 B10R0.71 CCCOCCOCCOC 34a_100000210237_100011215938 [1,1,0,0,0,0|1,0,1]=4 9861 B10R0.71 CCCOCCOCCOC 34a_100000210258_100000695917 [1,1,0,0,0,0|1,0,1]=4 9862 B10R0.71 CCCOCCOCCOC 34a_100000752267_100011201679 [1,1,0,0,0,0|1,0,1]=4 9863 B10R0.71 CCCOCCOCCOC 34a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 9864 B10R0.71 CCCOCCOCCOC 7a_100000752267_100000233755 [1,1,0,0,0,0|1,0,1]=4 9865 B10R0.71 CCCOCCOCCOC 7a_100011215163_100000210303 [1,1,0,0,0,0|1,0,1]=4 9866 B10R0.71 CCCOCCOCCSC 34a_100000230434_100011215938 [1,1,0,0,0,0|1,0,1]=4 9867 B10R0.71 CCCOCCOCCSC 34a_100000752267_100000212216 [1,1,0,0,0,0|1,0,1]=4 9868 B10R0.71 CCCOCCOCCSC 7a_100000230434_100011215938 [1,1,0,0,0,0|1,0,1]=4 9869 B10R0.71 CCCOCCOCCSC 7a_100000752267_100000212216 [1,1,0,0,0,0|1,0,1]=4 9870 B10R0.71 CCCOCCSCCCF 62a_100011215938_100011934791 [1,1,0,0,0,0|1,0,1]=4 9871 B10R0.71 CCCOCCSCCCF 62a_100011934791_100011215938 [1,1,0,0,0,0|1,0,1]=4 9872 B10R0.71 CCCOCCSCCCO 62a_100011215043_100011215938 [1,1,0,0,0,0|1,0,1]=4 9873 B10R0.71 CCCOCCSCCCO 62a_100011215938_100011215043 [1,1,0,0,0,0|1,0,1]=4 9874 B10R0.71 CCCOCCSCCOC 62a_100000233755_100011215938 [1,1,0,0,0,0|1,0,1]=4 9875 B10R0.71 CCCOCCSCCOC 62a_100011215938_100000233755 [1,1,0,0,0,0|1,0,1]=4 9876 B10R0.71 CCCOCCSCCSC 62a_100000212216_100011215938 [1,1,0,0,0,0|1,0,1]=4 9877 B10R0.71 CCCOCCSCCSC 62a_100011215938_100000751147 [1,1,0,0,0,0|1,0,1]=4 9878 B10R0.71 CCCOCCSCOCC 62a_100000739092_100011215938 [1,1,0,0,0,0|1,0,1]=4 9879 B10R0.71 CCCOCCSCOCC 62a_100011215938_100000739092 [1,1,0,0,0,0|1,0,1]=4 9880 B10R0.71 CCCSCCCCCCF 62a_100000210303_100015922095 [1,1,0,0,0,0|0,1,1]=4 9881 B10R0.71 CCCSCCCCCCF 62a_100015922095_100000210303 [1,1,0,0,0,0|0,1,1]=4 9882 B10R0.71 CCCSCCCCCCO 62a_100000210303_100000766143 [1,1,0,0,0,0|0,1,1]=4 9883 B10R0.71 CCCSCCCCCCO 62a_100000766143_100000210303 [1,1,0,0,0,0|0,1,1]=4 9884 B10R0.71 CCCSCCOCCCF 34a_200000230433_100011934791 [1,1,0,0,0,0|1,0,1]=4 9885 B10R0.71 CCCSCCOCCCF 7a_200000230433_100011934791 [1,1,0,0,0,0|1,0,1]=4 9886 B10R0.71 CCCSCCOCCCO 34a_200000230433_100000230001 [1,1,0,0,0,0|1,0,1]=4 9887 B10R0.71 CCCSCCOCCCO 7a_200000230433_100011215043 [1,1,0,0,0,0|1,0,1]=4 9888 B10R0.71 CCCSCCOCCOC 34a_200000230433_100011201679 [1,1,0,0,0,0|1,0,1]=4 9889 B10R0.71 CCCSCCOCCOC 62a_100000210303_100000695917 [1,1,0,0,0,0|1,0,1]=4 9890 B10R0.71 CCCSCCOCCOC 62a_100000695917_100000210303 [1,1,0,0,0,0|1,0,1]=4 9891 B10R0.71 CCCSCCOCCOC 7a_200000230433_100000233755 [1,1,0,0,0,0|1,0,1]=4 9892 B10R0.71 CCCSCCOCCSC 34a_200000230433_100000212216 [1,1,0,0,0,0|1,0,1]=4 9893 B10R0.71 CCCSCCOCCSC 7a_200000230433_100000212216 [1,1,0,0,0,0|1,0,1]=4 9894 B10R0.71 CCNCCCOCCCO 2230a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 9895 B10R0.71 CCNCCCOCCCO 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 9896 B10R0.71 CCNCCCOCCOC 2230a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 9897 B10R0.71 CCNCCCOCCOC 2230a_100015525214_100011216529 [1,1,0,0,0,0|1,0,1]=4 9898 B10R0.71 CCNCCCOCCOC 34a_100000206027_100000210202 [1,1,0,0,0,0|1,0,1]=4 9899 B10R0.71 CCOCCCOCCCBr 34a_100011217188_100012232248 [1,1,0,0,0,0|1,0,1]=4 9900 B10R0.71 CCOCCCOCCCCl 34a_100000230001_100012232248 [1,1,0,0,0,0|1,0,1]=4 9901 B10R0.71 CCOCCCOCCCF 34a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 9902 B10R0.71 CCOCCCOCCCF 34a_100000759539_100012232248 [1,1,0,0,0,0|1,0,1]=4 9903 B10R0.71 CCOCCCOCCCF 7a_100000757476_100011934791 [1,1,0,0,0,0|1,0,1]=4 9904 B10R0.71 CCOCCCOCCCN 34a_100000182051_100012232248 [1,1,0,0,0,0|1,0,1]=4 9905 B10R0.71 CCOCCCOCCCN 34a_100011310245_100000210202 [1,1,0,0,0,0|1,0,1]=4 9906 B10R0.71 CCOCCCOCCCO 34a_100000757476_100000230001 [1,1,0,0,0,0|1,0,1]=4 9907 B10R0.71 CCOCCCOCCCO 7a_100000757476_100011215043 [1,1,0,0,0,0|1,0,1]=4 9908 B10R0.71 CCOCCCOCCOC 34a_100000210237_100012232248 [1,1,0,0,0,0|1,0,1]=4 9909 B10R0.71 CCOCCCOCCOC 34a_100000757476_100011201679 [1,1,0,0,0,0|1,0,1]=4 9910 B10R0.71 CCOCCCOCCOC 34a_100121572206_100011216529 [1,1,0,0,0,0|1,0,1]=4 9911 B10R0.71 CCOCCCOCCOC 7a_100000757476_100000233755 [1,1,0,0,0,0|1,0,1]=4 9912 B10R0.71 CCOCCCOCCSC 34a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 9913 B10R0.71 CCOCCCOCCSC 34a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 9914 B10R0.71 CCOCCCOCCSC 7a_100000230434_100012232248 [1,1,0,0,0,0|1,0,1]=4 9915 B10R0.71 CCOCCCOCCSC 7a_100000757476_100000212216 [1,1,0,0,0,0|1,0,1]=4 9916 B10R0.71 CCSCCCOCCCF 34a_100011216438_100011934791 [1,1,0,0,0,0|1,0,1]=4 9917 B10R0.71 CCSCCCOCCCF 7a_100011216438_100011934791 [1,1,0,0,0,0|1,0,1]=4 9918 B10R0.71 CCSCCCOCCCO 34a_100011216438_100000230001 [1,1,0,0,0,0|1,0,1]=4 9919 B10R0.71 CCSCCCOCCCO 7a_100011216438_100011215043 [1,1,0,0,0,0|1,0,1]=4 9920 B10R0.71 CCSCCCOCCOC 34a_100011216438_100011201679 [1,1,0,0,0,0|1,0,1]=4 9921 B10R0.71 CCSCCCOCCOC 62a_100000210202_100011216529 [1,1,0,0,0,0|1,0,1]=4 9922 B10R0.71 CCSCCCOCCOC 62a_100011216529_100000210202 [1,1,0,0,0,0|1,0,1]=4 9923 B10R0.71 CCSCCCOCCOC 7a_100011216438_100000233755 [1,1,0,0,0,0|1,0,1]=4 9924 B10R0.71 CCSCCCOCCSC 34a_100011216438_100000212216 [1,1,0,0,0,0|1,0,1]=4 9925 B10R0.71 CCSCCCOCCSC 7a_100011216438_100000212216 [1,1,0,0,0,0|1,0,1]=4 9926 B10R0.71 CNCCCCCOCCF 34a_100000722520_100011217306 [1,1,0,0,0,0|1,0,1]=4 9927 B10R0.71 CNCCCCCOCCO 34a_100000722520_100000211926 [1,1,0,0,0,0|1,0,1]=4 9928 B10R0.71 CNCCCCCOCSC 34a_100000722520_100011218213 [1,1,0,0,0,0|1,0,1]=4 9929 B10R0.71 COCCCCOCCCBr 34a_100011217188_100000755781 [1,1,0,0,0,0|1,0,1]=4 9930 B10R0.71 COCCCCOCCCCl 34a_100000230001_100000755781 [1,1,0,0,0,0|1,0,1]=4 9931 B10R0.71 COCCCCOCCCF 34a_100000740925_100011934791 [1,1,0,0,0,0|1,0,1]=4 9932 B10R0.71 COCCCCOCCCF 34a_100000759539_100000755781 [1,1,0,0,0,0|1,0,1]=4 9933 B10R0.71 COCCCCOCCCN 34a_100000182051_100000755781 [1,1,0,0,0,0|1,0,1]=4 9934 B10R0.71 COCCCCOCCCO 34a_100000740925_100000230001 [1,1,0,0,0,0|1,0,1]=4 9935 B10R0.71 COCCCCOCCOC 34a_100000210237_100000755781 [1,1,0,0,0,0|1,0,1]=4 9936 B10R0.71 COCCCCOCCOC 34a_100000740925_100011201679 [1,1,0,0,0,0|1,0,1]=4 9937 B10R0.71 COCCCCOCCSC 34a_100000230434_100000755781 [1,1,0,0,0,0|1,0,1]=4 9938 B10R0.71 COCCCCOCCSC 34a_100000740925_100000212216 [1,1,0,0,0,0|1,0,1]=4 9939 B10R0.71 COCCCCOCCSC 7a_100000230434_100000730899 [1,1,0,0,0,0|1,0,1]=4 9940 B10R0.71 COCCOCCCCCBr 34a_100000746331_100011201679 [1,1,0,0,0,0|1,0,1]=4 9941 B10R0.71 COCCOCCCCCBr 7a_100000746331_100000233755 [1,1,0,0,0,0|1,0,1]=4 9942 B10R0.71 COCCOCCCCCCl 34a_100000746330_100011201679 [1,1,0,0,0,0|1,0,1]=4 9943 B10R0.71 COCCOCCCCCCl 7a_100000746330_100000233755 [1,1,0,0,0,0|1,0,1]=4 9944 B10R0.71 COCCOCCCCCF 34a_100000210237_100000729378 [1,1,0,0,0,0|1,0,1]=4 9945 B10R0.71 COCCOCCCCCI 34a_200012148887_100011201679 [1,1,0,0,0,0|1,0,1]=4 9946 B10R0.71 COCCOCCCCCI 7a_200012148887_100000233755 [1,1,0,0,0,0|1,0,1]=4 9947 B10R0.71 COCCOCCCCCN 34a_100000762737_100011201679 [1,1,0,0,0,0|1,0,1]=4 9948 B10R0.71 COCCOCCCCCO 34a_100000210237_100000746330 [1,1,0,0,0,0|1,0,1]=4 9949 B10R0.71 COCCOCCCCSC 34a_100011217163_100011201679 [1,1,0,0,0,0|1,0,1]=4 9950 B10R0.71 COCCOCCCCSC 7a_100011217163_100000233755 [1,1,0,0,0,0|1,0,1]=4 9951 B10R0.71 CSCCCCOCCCF 34a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 9952 B10R0.71 CSCCCCOCCCF 7a_100011217163_100011934791 [1,1,0,0,0,0|1,0,1]=4 9953 B10R0.71 CSCCCCOCCCO 34a_100011217163_100000230001 [1,1,0,0,0,0|1,0,1]=4 9954 B10R0.71 CSCCCCOCCCO 7a_100011217163_100011215043 [1,1,0,0,0,0|1,0,1]=4 9955 B10R0.71 CSCCCCOCCSC 34a_100011217163_100000212216 [1,1,0,0,0,0|1,0,1]=4 9956 B10R0.71 CSCCCCOCCSC 7a_100011217163_100000212216 [1,1,0,0,0,0|1,0,1]=4 9957 B10R0.71 CSCCOCCCCCBr 34a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 9958 B10R0.71 CSCCOCCCCCBr 7a_100000746331_100000212216 [1,1,0,0,0,0|1,0,1]=4 9959 B10R0.71 CSCCOCCCCCCl 34a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 9960 B10R0.71 CSCCOCCCCCCl 7a_100000746330_100000212216 [1,1,0,0,0,0|1,0,1]=4 9961 B10R0.71 CSCCOCCCCCF 34a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 9962 B10R0.71 CSCCOCCCCCF 7a_100000230434_100000729378 [1,1,0,0,0,0|1,0,1]=4 9963 B10R0.71 CSCCOCCCCCI 34a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 9964 B10R0.71 CSCCOCCCCCI 7a_200012148887_100000212216 [1,1,0,0,0,0|1,0,1]=4 9965 B10R0.71 CSCCOCCCCCN 34a_100000762737_100000212216 [1,1,0,0,0,0|1,0,1]=4 9966 B10R0.71 CSCCOCCCCCO 34a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 9967 B10R0.71 CSCCOCCCCCO 7a_100000230434_100000746330 [1,1,0,0,0,0|1,0,1]=4 9968 B10R0.71 CSCOCCCCCCBr 34a_100011215345_100011218213 [1,1,0,0,0,0|1,0,1]=4 9969 B10R0.71 CSCOCCCCCCCl 34a_100000766143_100011218213 [1,1,0,0,0,0|1,0,1]=4 9970 B10R0.71 CSCOCCCCCCF 34a_100000732779_100011218213 [1,1,0,0,0,0|1,0,1]=4 9971 B10R0.71 CSCOCCCCCCN 34a_100000686447_100011218213 [1,1,0,0,0,0|1,0,1]=4 9972 B10R0.71 FCCCCCCOCCBr 34a_100000211926_100015922095 [1,1,0,0,0,0|1,0,1]=4 9973 B10R0.71 FCCCCCCOCCF 34a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 9974 B10R0.71 FCCCCCCOCCF 7a_100000732779_100011217306 [1,1,0,0,0,0|1,0,1]=4 9975 B10R0.71 FCCCCCOCCCBr 34a_100011217188_100000729378 [1,1,0,0,0,0|1,0,1]=4 9976 B10R0.71 FCCCCCOCCCCl 34a_100000230001_100000729378 [1,1,0,0,0,0|1,0,1]=4 9977 B10R0.71 FCCCCCOCCCF 34a_100000759539_100000729378 [1,1,0,0,0,0|1,0,1]=4 9978 B10R0.71 FCCCOCCCCCBr 34a_100000746331_100011934791 [1,1,0,0,0,0|1,0,1]=4 9979 B10R0.71 FCCCOCCCCCBr 7a_100000746331_100011934791 [1,1,0,0,0,0|1,0,1]=4 9980 B10R0.71 FCCCOCCCCCCl 34a_100000746330_100011934791 [1,1,0,0,0,0|1,0,1]=4 9981 B10R0.71 FCCCOCCCCCCl 7a_100000746330_100011934791 [1,1,0,0,0,0|1,0,1]=4 9982 B10R0.71 FCCCOCCCCCI 34a_200012148887_100011934791 [1,1,0,0,0,0|1,0,1]=4 9983 B10R0.71 FCCCOCCCCCI 7a_200012148887_100011934791 [1,1,0,0,0,0|1,0,1]=4 9984 B10R0.71 FCCOCCCCCCBr 34a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 9985 B10R0.71 FCCOCCCCCCBr 7a_100011215345_100011217306 [1,1,0,0,0,0|1,0,1]=4 9986 B10R0.71 FCCOCCCCCCCl 34a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 9987 B10R0.71 FCCOCCCCCCCl 7a_100000766143_100011217306 [1,1,0,0,0,0|1,0,1]=4 9988 B10R0.71 NCCCCCCOCCF 34a_100000686447_100011217306 [1,1,0,0,0,0|1,0,1]=4 9989 B10R0.71 NCCCCCCOCCO 34a_100000686447_100000211926 [1,1,0,0,0,0|1,0,1]=4 9990 B10R0.71 NCCCCCOCCCF 34a_100000762737_100011934791 [1,1,0,0,0,0|1,0,1]=4 9991 B10R0.71 NCCCCCOCCCO 34a_100000762737_100000230001 [1,1,0,0,0,0|1,0,1]=4 9992 B10R0.71 NCCCOCCCCCF 34a_100000182051_100000729378 [1,1,0,0,0,0|1,0,1]=4 9993 B10R0.71 NCCCOCCCCCO 34a_100000182051_100000746330 [1,1,0,0,0,0|1,0,1]=4 9994 B10R0.71 NCCOCCCCCCF 34a_100000210304_100015922095 [1,1,0,0,0,0|1,0,1]=4 9995 B10R0.71 NCCOCCCCCCO 34a_100000210304_100000766143 [1,1,0,0,0,0|1,0,1]=4 9996 B10R0.71 OCCCCCCOCCBr 34a_100000211926_100000766143 [1,1,0,0,0,0|1,0,1]=4 9997 B10R0.71 OCCCCCOCCCBr 34a_100011217188_100000746330 [1,1,0,0,0,0|1,0,1]=4 9998 B10R0.71 OCCCCCOCCCCl 34a_100000230001_100000746330 [1,1,0,0,0,0|1,0,1]=4 9999 B10R0.71 OCCCCCOCCCF 34a_100000759539_100000746330 [1,1,0,0,0,0|1,0,1]=4 10000 B10R0.71 OCCCOCCCCCBr 34a_100000746331_100000230001 [1,1,0,0,0,0|1,0,1]=4 10001 B10R0.71 OCCCOCCCCCBr 7a_100000746331_100011215043 [1,1,0,0,0,0|1,0,1]=4 10002 B10R0.71 OCCCOCCCCCCl 34a_100000746330_100000230001 [1,1,0,0,0,0|1,0,1]=4 10003 B10R0.71 OCCCOCCCCCCl 7a_100000746330_100011215043 [1,1,0,0,0,0|1,0,1]=4 10004 B10R0.71 OCCCOCCCCCI 34a_200012148887_100000230001 [1,1,0,0,0,0|1,0,1]=4 10005 B10R0.71 OCCCOCCCCCI 7a_200012148887_100011215043 [1,1,0,0,0,0|1,0,1]=4 10006 B10R0.71 OCCOCCCCCCBr 34a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 10007 B10R0.71 OCCOCCCCCCBr 7a_100011215345_100000211926 [1,1,0,0,0,0|1,0,1]=4 10008 B10R0.71 OCCOCCCCCCCl 34a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 10009 B10R0.71 OCCOCCCCCCCl 7a_100000766143_100000211926 [1,1,0,0,0,0|1,0,1]=4 10010 B10R0.71 OCCOCCCCCCF 34a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 10011 B10R0.71 OCCOCCCCCCF 7a_100000732779_100000211926 [1,1,0,0,0,0|1,0,1]=4 10012 B10R0.74 CCC(C)CCCOCCF 7a_100011216074_100011217306 [1,1,0,0,0,0|1,0,1]=4 10013 B10R0.74 CCC(C)CCCOCCO 7a_100011216074_100000211926 [1,1,0,0,0,0|1,0,1]=4 10014 B10R0.74 CCC(C)OCCCCCBr 34a_100000746331_100011215416 [1,1,0,0,0,0|1,0,1]=4 10015 B10R0.74 CCC(C)OCCCCCBr 7a_100000746331_100000758301 [1,1,0,0,0,0|1,0,1]=4 10016 B10R0.74 CCC(C)OCCCCCCl 34a_100000746330_100011215416 [1,1,0,0,0,0|1,0,1]=4 10017 B10R0.74 CCC(C)OCCCCCCl 7a_100000746330_100000758301 [1,1,0,0,0,0|1,0,1]=4 10018 B10R0.74 CCC(C)OCCCCCF 7a_100000210228_100000729378 [1,1,0,0,0,0|1,0,1]=4 10019 B10R0.74 CCC(C)OCCCCCI 34a_200012148887_100011215416 [1,1,0,0,0,0|1,0,1]=4 10020 B10R0.74 CCC(C)OCCCCCI 7a_200012148887_100000758301 [1,1,0,0,0,0|1,0,1]=4 10021 B10R0.74 CCC(C)OCCCCCN 34a_100000762737_100011215416 [1,1,0,0,0,0|1,0,1]=4 10022 B10R0.74 CCC(C)OCCCCCO 7a_100000210228_100000746330 [1,1,0,0,0,0|1,0,1]=4 10023 B10R0.74 CCC(C)OCCCCOC 34a_100000740925_100011215416 [1,1,0,0,0,0|1,0,1]=4 10024 B10R0.74 CCC(C)OCCCCOC 7a_100000210228_100000730899 [1,1,0,0,0,0|1,0,1]=4 10025 B10R0.74 CCC(C)OCCCCSC 34a_100011217163_100011215416 [1,1,0,0,0,0|1,0,1]=4 10026 B10R0.74 CCC(C)OCCCCSC 7a_100011217163_100000758301 [1,1,0,0,0,0|1,0,1]=4 10027 B10R0.74 CCC/C=C/COC(C)CC 34a_100016278788_100011215416 [1,1,0,0,0,0|2,0,0]=4 10028 B10R0.74 CCC/C=C/COC(C)CC 7a_100016278788_100000758301 [1,1,0,0,0,0|2,0,0]=4 10029 B10R0.74 CCCCCC=CC(=O)CC 1458a_100016263427_100000210202 [1,1,0,0,0,0|1,0,1]=4 10030 B10R0.74 CCCCCCNC(C)CC 2230a_100000209981_100000210314 [1,1,0,0,0,0|1,0,1]=4 10031 B10R0.74 CCCCCCNC(C)CC 2230a_100000210581_100000758301 [1,1,0,0,0,0|1,0,1]=4 10032 B10R0.74 CCCCCCOC(C)CC 34a_100000210259_100011215416 [1,1,0,0,0,0|0,0,1]=3 10033 B10R0.74 CCCCCCOC(C)CC 7a_100000210228_100000210314 [1,1,0,0,0,0|0,0,1]=3 10034 B10R0.74 CCCCCCOC(C)CC 7a_100000210259_100000758301 [1,1,0,0,0,0|0,0,1]=3 10035 B10R0.74 CCCCCCOC(C)CF 34a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 10036 B10R0.74 CCCCCCOC(C)CF 7a_100016041109_100000210314 [1,1,0,0,0,0|1,0,1]=4 10037 B10R0.74 CCCCCCOC(C)CN 34a_100000210904_100000210314 [1,1,0,0,0,0|1,0,1]=4 10038 B10R0.74 CCCCCCOC(C)CO 34a_100000210259_100012180447 [1,1,0,0,0,0|1,0,1]=4 10039 B10R0.74 CCCCCCOC(C)CO 7a_100000210259_100012180447 [1,1,0,0,0,0|1,0,1]=4 10040 B10R0.74 CCCCCCSC(C)CC 62a_100000210314_100000758301 [1,1,0,0,0,0|0,1,1]=4 10041 B10R0.74 CCCCCCSC(C)CC 62a_100000758301_100000210757 [1,1,0,0,0,0|0,1,1]=4 10042 B10R0.74 CCCCCNCC(C)CC 2230a_100000209983_100000748023 [1,1,0,0,0,0|2,0,0]=4 10043 B10R0.74 CCCCCNCC(C)CC 2230a_100020588543_100000210326 [1,1,0,0,0,0|2,0,0]=4 10044 B10R0.74 CCCCCNCC(C)CC 270004a_100000209983_100000243153 [1,1,0,0,0,0|2,0,0]=4 10045 B10R0.74 CCCCCNCC(O)CC 2230a_100000209983_100011218378 [1,1,0,0,0,0|2,0,0]=4 10046 B10R0.74 CCCCCNCC(O)CC 2230a_100011218483_100000210326 [1,1,0,0,0,0|2,0,0]=4 10047 B10R0.74 CCCCCNC[C@@H](C)CC 2230a_100000209983_100009816398 [1,1,0,0,0,0|2,0,0]=4 10048 B10R0.74 CCCCCOCC(C)CC 34a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 10049 B10R0.74 CCCCCOCC(C)CC 7a_100000210253_100000748023 [1,1,0,0,0,0|2,0,0]=4 10050 B10R0.74 CCCCCOCC(O)CC 34a_100000210253_100011218378 [1,1,0,0,0,0|2,0,0]=4 10051 B10R0.74 CCCCCOCC(O)CC 7a_100000210253_100011218378 [1,1,0,0,0,0|2,0,0]=4 10052 B10R0.74 CCCCCOC[C@@H](C)CC 34a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 10053 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100000210253_100009816398 [1,1,0,0,0,0|2,0,0]=4 10054 B10R0.74 CCCCCOC[C@@H](C)CC 7a_100009816381_100000210326 [1,1,0,0,0,0|2,0,0]=4 10055 B10R0.74 CCCCCSCC(C)CC 62a_100000210326_100000748023 [1,1,0,0,0,0|2,0,0]=4 10056 B10R0.74 CCCCCSCC(C)CC 62a_100000748023_100000210326 [1,1,0,0,0,0|2,0,0]=4 10057 B10R0.74 CCCCCSCC(O)CC 62a_100000210326_100011218378 [1,1,0,0,0,0|2,0,0]=4 10058 B10R0.74 CCCCCSCC(O)CC 62a_100011218378_100000210326 [1,1,0,0,0,0|2,0,0]=4 10059 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100000210326_100009816398 [1,1,0,0,0,0|2,0,0]=4 10060 B10R0.74 CCCCCSC[C@@H](C)CC 62a_100009816398_100000210326 [1,1,0,0,0,0|2,0,0]=4 10061 B10R0.74 CCCCNCCC(C)CC 2230a_100020591266_100000210211 [1,1,0,0,0,0|2,0,0]=4 10062 B10R0.74 CCCCOCCC(C)CC 7a_100011215188_100000210211 [1,1,0,0,0,0|2,0,0]=4 10063 B10R0.74 CCCOCCCC(C)CC 7a_100011216074_100000210303 [1,1,0,0,0,0|0,0,1]=3 10064 B10R0.74 CCCOCCC[C@@H](C)CN 34a_100160569302_100000210303 [1,1,0,0,0,0|1,0,1]=4 10065 B10R0.74 CCCOCCNC(C)CC 2230a_100000209981_100011215938 [1,1,0,0,0,0|1,0,1]=4 10066 B10R0.74 CCCOCCNC(C)CC 2230a_100161115042_100000758301 [1,1,0,0,0,0|1,0,1]=4 10067 B10R0.74 CCCOCCNC(C)CC 34a_100161115042_100011215416 [1,1,0,0,0,0|1,0,1]=4 10068 B10R0.74 CCCOCCOC(C)CC 34a_100000752267_100011215416 [1,1,0,0,0,0|1,0,1]=4 10069 B10R0.74 CCCOCCOC(C)CC 7a_100000210228_100011215938 [1,1,0,0,0,0|1,0,1]=4 10070 B10R0.74 CCCOCCOC(C)CC 7a_100000752267_100000758301 [1,1,0,0,0,0|1,0,1]=4 10071 B10R0.74 CCCOCCSC(C)CC 62a_100000758301_100011215938 [1,1,0,0,0,0|1,0,1]=4 10072 B10R0.74 CCCOCCSC(C)CC 62a_100011215938_100000758301 [1,1,0,0,0,0|1,0,1]=4 10073 B10R0.74 CCCSCCOC(C)CC 34a_200000230433_100011215416 [1,1,0,0,0,0|1,0,1]=4 10074 B10R0.74 CCCSCCOC(C)CC 7a_200000230433_100000758301 [1,1,0,0,0,0|1,0,1]=4 10075 B10R0.74 CCOCCCOC(C)CC 34a_100000757476_100011215416 [1,1,0,0,0,0|1,0,1]=4 10076 B10R0.74 CCOCCCOC(C)CC 7a_100000210228_100012232248 [1,1,0,0,0,0|1,0,1]=4 10077 B10R0.74 CCOCCCOC(C)CC 7a_100000757476_100000758301 [1,1,0,0,0,0|1,0,1]=4 10078 B10R0.74 CCSCCCOC(C)CC 34a_100011216438_100011215416 [1,1,0,0,0,0|1,0,1]=4 10079 B10R0.74 CCSCCCOC(C)CC 7a_100011216438_100000758301 [1,1,0,0,0,0|1,0,1]=4 10080 B12R0.2 C=C(C)CN(C)CC(=O)OCCC 2230a_100000225649_200011215008 [0,2,0,0,0,0|1,0,1]=4 10081 B12R0.2 C=C(C)CN(C)CC(=O)OCCC 269982a_100000225649_200011215008 [0,2,0,0,0,0|1,0,1]=4 10082 B12R0.2 CCCCC(=O)NC(C)CC(C)C 11a_100000692259_100000210183 [0,2,0,0,0,0|2,0,0]=4 10083 B12R0.2 CCCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210183 [0,2,0,0,0,0|2,0,0]=4 10084 B12R0.2 CCCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210183 [0,2,0,0,0,0|2,0,0]=4 10085 B12R0.2 CCCCC(=O)NC(C)CC(C)C 527a_100000692259_100000210183 [0,2,0,0,0,0|2,0,0]=4 10086 B12R0.2 CCCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183358 [0,2,0,0,0,0|1,0,1]=4 10087 B12R0.2 CCCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183358 [0,2,0,0,0,0|1,0,1]=4 10088 B12R0.2 CCCNC(=O)CN(C)CC(C)C 2230a_100000684209_100000210760 [0,2,0,0,0,0|2,0,0]=4 10089 B12R0.2 CCCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183358 [0,2,0,0,0,0|2,0,0]=4 10090 B12R0.2 CCCNC(=O)CN(C)CC(C)C 269982a_100000684209_100000210624 [0,2,0,0,0,0|2,0,0]=4 10091 B12R0.2 CCCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183358 [0,2,0,0,0,0|2,0,0]=4 10092 B12R0.2 CCCNC(=O)CN(C)CC(C)C 270004a_100000684209_100000210432 [0,2,0,0,0,0|2,0,0]=4 10093 B12R0.2 CCCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183358 [0,2,0,0,0,0|2,0,0]=4 10094 B12R0.2 CCCNC(=O)CN(C)CC(C)O 2230a_100000684209_100011218427 [0,2,0,0,0,0|2,0,0]=4 10095 B12R0.2 CCCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183358 [0,2,0,0,0,0|2,0,0]=4 10096 B12R0.2 CCCNC(=O)CN(C)CC(C)O 269982a_100000684209_100011218427 [0,2,0,0,0,0|2,0,0]=4 10097 B12R0.2 CCCNC(=O)CN(C)C[C@@H](C)O 2230a_100000684209_100009817552 [0,2,0,0,0,0|2,0,0]=4 10098 B12R0.2 CCCNC(=O)CN(C)C[C@@H](C)O 269982a_100000684209_100009817552 [0,2,0,0,0,0|2,0,0]=4 10099 B12R0.2 CCCNC(=O)NC(C)CC(C)C 2708a_100000692259_100020643023 [0,2,0,0,0,0|2,0,0]=4 10100 B12R0.2 CCCNC(=O)NC(C)CC(C)C 2708a_100020643023_100000692259 [0,2,0,0,0,0|2,0,0]=4 10101 B12R0.2 CCCNC(=O)NC(C)CC(C)C 273464a_100000692259_100020643023 [0,2,0,0,0,0|2,0,0]=4 10102 B12R0.2 CCCNC(=O)NC(C)CC(C)C 512a_100000692259_100020643023 [0,2,0,0,0,0|2,0,0]=4 10103 B12R0.2 CCCNC(=O)NC(C)CC(C)C 512a_100020643023_100000692259 [0,2,0,0,0,0|2,0,0]=4 10104 B12R0.2 CCCOC(=O)CC(=O)CC(C)C 1458a_100000210554_200011215008 [0,2,0,0,0,0|0,0,1]=3 10105 B12R0.2 CCCOC(=O)CC(=O)CN(C)C 1458a_100000750896_200011215008 [0,2,0,0,0,0|1,0,1]=4 10106 B12R0.2 CCCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_200011215008 [0,2,0,0,0,0|0,0,1]=3 10107 B12R0.2 CCCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_200011215008 [0,2,0,0,0,0|1,0,1]=4 10108 B12R0.2 CCCOC(=O)CN(C)CC(C)C 2230a_100000747067_200011215008 [0,2,0,0,0,0|1,0,0]=3 10109 B12R0.2 CCCOC(=O)CN(C)CC(C)C 269982a_100000747067_200011215008 [0,2,0,0,0,0|1,0,0]=3 10110 B12R0.2 CCCOC(=O)CN(C)CC(C)O 2230a_100000227577_200011215008 [0,2,0,0,0,0|1,0,0]=3 10111 B12R0.2 CCCOC(=O)CN(C)CC(C)O 269982a_100000227577_200011215008 [0,2,0,0,0,0|1,0,0]=3 10112 B12R0.68 C=C(CCC)CC(=O)CC(C)CC 1458a_100000138376_100000748023 [0,2,0,0,0,0|1,0,1]=4 10113 B12R0.68 C=C(CCC)CC(=O)CC(O)CC 1458a_100000138376_100011218378 [0,2,0,0,0,0|1,0,1]=4 10114 B12R0.68 C=C(CCC)CC(=O)C[C@@H](C)CC 1458a_100000138376_100009816398 [0,2,0,0,0,0|1,0,1]=4 10115 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 11a_100000209981_100000138376 [0,2,0,0,0,0|1,0,1]=4 10116 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 240690a_100000209981_100000138376 [0,2,0,0,0,0|1,0,1]=4 10117 B12R0.68 C=C(CCC)CC(=O)NC(C)CC 527a_100000209981_100000138376 [0,2,0,0,0,0|1,0,1]=4 10118 B12R0.68 CCCC(=O)CC(=O)CC(C)CC 1458a_100000708755_100000747444 [0,2,0,0,0,0|1,0,1]=4 10119 B12R0.68 CCCC(=O)CC(=O)CC(O)CC 1458a_100011667805_100000747444 [0,2,0,0,0,0|1,0,1]=4 10120 B12R0.68 CCCC(=O)CC(=O)NC(C)CC 1458a_100000211992_100000182745 [0,2,0,0,0,0|1,0,1]=4 10121 B12R0.68 CCCC(C)CC(=O)C=C(C)CC 1458a_100020758463_100011216630 [0,2,0,0,0,0|1,0,1]=4 10122 B12R0.68 CCCC(C)CC(=O)CC(=O)CC 1458a_100000748435_100000747405 [0,2,0,0,0,0|1,0,1]=4 10123 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000708755_100011216630 [0,2,0,0,0,0|1,0,0]=3 10124 B12R0.68 CCCC(C)CC(=O)CC(C)CC 1458a_100000748435_100000748023 [0,2,0,0,0,0|1,0,0]=3 10125 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100000748435_100011218378 [0,2,0,0,0,0|1,0,0]=3 10126 B12R0.68 CCCC(C)CC(=O)CC(O)CC 1458a_100011667805_100011216630 [0,2,0,0,0,0|1,0,0]=3 10127 B12R0.68 CCCC(C)CC(=O)CN(C)CC 1458a_100116209913_100011216630 [0,2,0,0,0,0|2,0,0]=4 10128 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CC 1458a_100000748435_100009816398 [0,2,0,0,0,0|1,0,0]=3 10129 B12R0.68 CCCC(C)CC(=O)C[C@@H](C)CO 1458a_100000748435_100000059175 [0,2,0,0,0,0|2,0,0]=4 10130 B12R0.68 CCCC(C)CC(=O)NC(C)CC 11a_100000209981_100000748435 [0,2,0,0,0,0|1,0,0]=3 10131 B12R0.68 CCCC(C)CC(=O)NC(C)CC 1626a_100000209981_100000748435 [0,2,0,0,0,0|1,0,0]=3 10132 B12R0.68 CCCC(C)CC(=O)NC(C)CC 240690a_100000209981_100000748435 [0,2,0,0,0,0|1,0,0]=3 10133 B12R0.68 CCCC(C)CC(=O)NC(C)CC 527a_100000209981_100000748435 [0,2,0,0,0,0|1,0,0]=3 10134 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 11a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 10135 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 1626a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 10136 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 240690a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 10137 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CF 527a_100102880703_100000748435 [0,2,0,0,0,0|2,0,0]=4 10138 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 240690a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 10139 B12R0.68 CCCC(C)CC(=O)N[C@H](C)CO 527a_100000737577_100000748435 [0,2,0,0,0,0|2,0,0]=4 10140 B12R0.68 CCCC(C)NC(=O)CC(C)CC 11a_100000741246_100000708755 [0,2,0,0,0,0|2,0,0]=4 10141 B12R0.68 CCCC(C)NC(=O)CC(C)CC 1626a_100000741246_100000708755 [0,2,0,0,0,0|2,0,0]=4 10142 B12R0.68 CCCC(C)NC(=O)CC(C)CC 240690a_100000741246_100000708755 [0,2,0,0,0,0|2,0,0]=4 10143 B12R0.68 CCCC(C)NC(=O)CC(C)CC 527a_100000741246_100000708755 [0,2,0,0,0,0|2,0,0]=4 10144 B12R0.68 CCCC(C)NC(=O)CC(O)CC 1626a_100000741246_100011667805 [0,2,0,0,0,0|2,0,0]=4 10145 B12R0.68 CCCC(C)NC(=O)CC(O)CC 240690a_100000741246_100011667805 [0,2,0,0,0,0|2,0,0]=4 10146 B12R0.68 CCCC(C)NC(=O)NC(C)CC 2708a_100000209981_100000741246 [0,2,0,0,0,0|2,0,0]=4 10147 B12R0.68 CCCC(C)NC(=O)NC(C)CC 2708a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 10148 B12R0.68 CCCC(C)NC(=O)NC(C)CC 273464a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 10149 B12R0.68 CCCC(C)NC(=O)NC(C)CC 512a_100000209981_100000741246 [0,2,0,0,0,0|2,0,0]=4 10150 B12R0.68 CCCC(C)NC(=O)NC(C)CC 512a_100000741246_100000209981 [0,2,0,0,0,0|2,0,0]=4 10151 B12R0.68 CCCN(C)CC(=O)NC(C)CC 2230a_100000747261_100000182745 [0,2,0,0,0,0|2,0,0]=4 10152 B12R0.68 CCCN(C)CC(=O)NC(C)CC 269982a_100000747261_100000182745 [0,2,0,0,0,0|2,0,0]=4 10153 B12R0.68 CCCS(=O)CC(=O)CC(C)CC 1458a_100011387404_100000748023 [0,2,0,0,0,0|2,0,0]=4 10154 B12R0.68 CCCS(=O)CC(=O)CC(O)CC 1458a_100011387404_100011218378 [0,2,0,0,0,0|2,0,0]=4 10155 B12R0.68 CCCS(=O)CC(=O)C[C@@H](C)CC 1458a_100011387404_100009816398 [0,2,0,0,0,0|2,0,0]=4 10156 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 11a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 10157 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 1626a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 10158 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 240690a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 10159 B12R0.68 CCCS(=O)CC(=O)NC(C)CC 527a_100000209981_100011387404 [0,2,0,0,0,0|2,0,0]=4 10160 B12R0.68 CCSC(C)CC(=O)CC(C)CC 1458a_200011311441_100000748023 [0,2,0,0,0,0|2,0,0]=4 10161 B12R0.68 CCSC(C)CC(=O)CC(O)CC 1458a_200011311441_100011218378 [0,2,0,0,0,0|2,0,0]=4 10162 B12R0.68 CCSC(C)CC(=O)C[C@@H](C)CC 1458a_200011311441_100009816398 [0,2,0,0,0,0|2,0,0]=4 10163 B12R0.68 CCSC(C)CC(=O)NC(C)CC 11a_100000209981_200011311441 [0,2,0,0,0,0|2,0,0]=4 10164 B12R0.68 CCSC(C)CC(=O)NC(C)CC 1626a_100000209981_200011311441 [0,2,0,0,0,0|2,0,0]=4 10165 B12R0.68 CCSC(C)CC(=O)NC(C)CC 240690a_100000209981_200011311441 [0,2,0,0,0,0|2,0,0]=4 10166 B12R0.68 CCSC(C)CC(=O)NC(C)CC 527a_100000209981_200011311441 [0,2,0,0,0,0|2,0,0]=4 10167 B12R0.69 C=C(CCC)CC(=O)C(C)CCC 1458a_100000138376_100000766640 [0,2,0,0,0,0|1,0,1]=4 10168 B12R0.69 C=C(CCC)CC(=O)N(C)CCC 11a_100000747261_100000138376 [0,2,0,0,0,0|1,0,1]=4 10169 B12R0.69 C=C(CCC)CC(=O)N(C)CCC 240690a_100000747261_100000138376 [0,2,0,0,0,0|1,0,1]=4 10170 B12R0.69 C=C(CCC)CC(=O)N(C)CCC 527a_100000747261_100000138376 [0,2,0,0,0,0|1,0,1]=4 10171 B12R0.69 CC/C=C(\C)/C(=O)CC(C)CCC 1458a_100016988807_100011216630 [0,2,0,0,0,0|1,0,1]=4 10172 B12R0.69 CCCC(=O)CC(=O)C(C)CCC 1458a_100000210906_100000747444 [0,2,0,0,0,0|1,0,1]=4 10173 B12R0.69 CCCC(=O)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000747444 [0,2,0,0,0,0|1,0,1]=4 10174 B12R0.69 CCCC(C)C(=O)CC(C)SCC 1458a_200011311441_100000766640 [0,2,0,0,0,0|2,0,0]=4 10175 B12R0.69 CCCC(C)C(=O)CS(=O)CCC 1458a_100011387404_100000766640 [0,2,0,0,0,0|2,0,0]=4 10176 B12R0.69 CCCC(C)CC(=O)C(=O)NCC 1458a_200011297158_100011216630 [0,2,0,0,0,0|2,0,0]=4 10177 B12R0.69 CCCC(C)CC(=O)C(C)CCC 1458a_100000210906_100011216630 [0,2,0,0,0,0|1,0,0]=3 10178 B12R0.69 CCCC(C)CC(=O)C(C)CCC 1458a_100000748435_100000766640 [0,2,0,0,0,0|1,0,0]=3 10179 B12R0.69 CCCC(C)CC(=O)C(C)CCO 1458a_100000748435_100009893172 [0,2,0,0,0,0|2,0,0]=4 10180 B12R0.69 CCCC(C)CC(=O)C(C)COC 1458a_100000748435_100000765312 [0,2,0,0,0,0|2,0,0]=4 10181 B12R0.69 CCCC(C)CC(=O)C(C)COC 1458a_100000751857_100011216630 [0,2,0,0,0,0|2,0,0]=4 10182 B12R0.69 CCCC(C)CC(=O)C(C)CSC 1458a_100000753918_100011216630 [0,2,0,0,0,0|2,0,0]=4 10183 B12R0.69 CCCC(C)CC(=O)C(C)OCC 1458a_100000739345_100011216630 [0,2,0,0,0,0|2,0,0]=4 10184 B12R0.69 CCCC(C)CC(=O)C(C)SCC 1458a_100000230601_100011216630 [0,2,0,0,0,0|2,0,0]=4 10185 B12R0.69 CCCC(C)CC(=O)N(C)CCC 11a_100000747261_100000748435 [0,2,0,0,0,0|1,0,0]=3 10186 B12R0.69 CCCC(C)CC(=O)N(C)CCC 1626a_100000747261_100000748435 [0,2,0,0,0,0|1,0,0]=3 10187 B12R0.69 CCCC(C)CC(=O)N(C)CCC 240690a_100000747261_100000748435 [0,2,0,0,0,0|1,0,0]=3 10188 B12R0.69 CCCC(C)CC(=O)N(C)CCC 527a_100000747261_100000748435 [0,2,0,0,0,0|1,0,0]=3 10189 B12R0.69 CCCC(C)CC(=O)N(C)CCO 240690a_100000210263_100000748435 [0,2,0,0,0,0|2,0,0]=4 10190 B12R0.69 CCCC(C)CC(=O)N(C)CCO 527a_100000210263_100000748435 [0,2,0,0,0,0|2,0,0]=4 10191 B12R0.69 CCCC(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100011216630 [0,2,0,0,0,0|1,0,0]=3 10192 B12R0.69 CCCC(C)NC(=O)C(C)CCC 11a_100000741246_100000210906 [0,2,0,0,0,0|2,0,0]=4 10193 B12R0.69 CCCC(C)NC(=O)C(C)CCC 1626a_100000741246_100000210906 [0,2,0,0,0,0|2,0,0]=4 10194 B12R0.69 CCCC(C)NC(=O)C(C)CCC 240690a_100000741246_100000210906 [0,2,0,0,0,0|2,0,0]=4 10195 B12R0.69 CCCC(C)NC(=O)C(C)CCC 527a_100000741246_100000210906 [0,2,0,0,0,0|2,0,0]=4 10196 B12R0.69 CCCC(C)NC(=O)N(C)CCC 2708a_100000741246_100000747261 [0,2,0,0,0,0|2,0,0]=4 10197 B12R0.69 CCCC(C)NC(=O)N(C)CCC 273464a_100000741246_100000747261 [0,2,0,0,0,0|2,0,0]=4 10198 B12R0.69 CCCC(C)NC(=O)[C@@H](O)CCC 240690a_100000741246_100009822183 [0,2,0,0,0,0|2,0,0]=4 10199 B12R0.69 CCCN(C)C(=O)CC(C)SCC 11a_100000747261_200011311441 [0,2,0,0,0,0|2,0,0]=4 10200 B12R0.69 CCCN(C)C(=O)CC(C)SCC 1626a_100000747261_200011311441 [0,2,0,0,0,0|2,0,0]=4 10201 B12R0.69 CCCN(C)C(=O)CC(C)SCC 240690a_100000747261_200011311441 [0,2,0,0,0,0|2,0,0]=4 10202 B12R0.69 CCCN(C)C(=O)CC(C)SCC 527a_100000747261_200011311441 [0,2,0,0,0,0|2,0,0]=4 10203 B12R0.69 CCCN(C)C(=O)CS(=O)CCC 11a_100000747261_100011387404 [0,2,0,0,0,0|2,0,0]=4 10204 B12R0.69 CCCN(C)C(=O)CS(=O)CCC 1626a_100000747261_100011387404 [0,2,0,0,0,0|2,0,0]=4 10205 B12R0.69 CCCN(C)C(=O)CS(=O)CCC 240690a_100000747261_100011387404 [0,2,0,0,0,0|2,0,0]=4 10206 B12R0.69 CCCN(C)C(=O)CS(=O)CCC 527a_100000747261_100011387404 [0,2,0,0,0,0|2,0,0]=4 10207 B12R0.103 C#CCCC(=O)CC(=O)OCCC 1458a_100000692101_200011215008 [0,2,0,0,0,0|0,0,2]=4 10208 B12R0.103 C=C(CC(=O)CCCC)OCOC 1458a_100000210183_100000042856 [0,2,0,0,0,0|2,0,0]=4 10209 B12R0.103 C=C(CN(C)CCCC)OCOC 269982a_100000207549_100000042856 [0,2,0,0,0,0|2,0,0]=4 10210 B12R0.103 C=CCCC(=O)CC(=O)OCCC 1458a_100000749702_200011215008 [0,2,0,0,0,0|0,0,2]=4 10211 B12R0.103 C=CCCN(C)CC(=O)OCCC 2230a_100020639649_200011215008 [0,2,0,0,0,0|0,0,2]=4 10212 B12R0.103 C=CCCN(C)CC(=O)OCCC 269982a_100020639649_200011215008 [0,2,0,0,0,0|0,0,2]=4 10213 B12R0.103 C=CCOC(=O)CC(=O)CCCC 1458a_100000210183_100000033060 [0,2,0,0,0,0|0,0,2]=4 10214 B12R0.103 C=CCOC(=O)CN(C)CCCC 2230a_100000207549_100000033060 [0,2,0,0,0,0|0,0,2]=4 10215 B12R0.103 C=CCOC(=O)CN(C)CCCC 269982a_100000207549_100000033060 [0,2,0,0,0,0|0,0,2]=4 10216 B12R0.103 CC=CCC(=O)CC(=O)OCCC 1458a_100121576822_200011215008 [0,2,0,0,0,0|0,0,2]=4 10217 B12R0.103 CCC#CC(=O)CC(=O)OCCC 1458a_100011827653_200011215008 [0,2,0,0,0,0|0,0,2]=4 10218 B12R0.103 CCC=CC(=O)CC(=O)OCCC 1458a_100000212282_200011215008 [0,2,0,0,0,0|0,0,2]=4 10219 B12R0.103 CCC=CC(=O)NC(C)CCCC 11a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 10220 B12R0.103 CCC=CC(=O)NC(C)CCCC 1626a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 10221 B12R0.103 CCC=CC(=O)NC(C)CCCC 240690a_100000126638_100000212282 [0,2,0,0,0,0|1,0,1]=4 10222 B12R0.103 CCCCC(=O)CC(=O)NCCC 1458a_100000210183_100000183358 [0,2,0,0,0,0|1,0,0]=3 10223 B12R0.103 CCCCC(=O)CC(=O)OCCC 1458a_100000210183_200011215008 [0,2,0,0,0,0|0,0,0]=2 10224 B12R0.103 CCCCC(=O)NC(C)CCCC 11a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 10225 B12R0.103 CCCCC(=O)NC(C)CCCC 1626a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 10226 B12R0.103 CCCCC(=O)NC(C)CCCC 240690a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 10227 B12R0.103 CCCCC(=O)NC(C)CCCC 527a_100000126638_100000210183 [0,2,0,0,0,0|1,0,0]=3 10228 B12R0.103 CCCCC(C)NC(=O)CCOC 11a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 10229 B12R0.103 CCCCC(C)NC(=O)CCOC 1626a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 10230 B12R0.103 CCCCC(C)NC(=O)CCOC 240690a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 10231 B12R0.103 CCCCC(C)NC(=O)CCOC 527a_100000126638_100000749529 [0,2,0,0,0,0|2,0,0]=4 10232 B12R0.103 CCCCC(C)NC(=O)CCSC 11a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 10233 B12R0.103 CCCCC(C)NC(=O)CCSC 1626a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 10234 B12R0.103 CCCCC(C)NC(=O)CCSC 240690a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 10235 B12R0.103 CCCCC(C)NC(=O)CCSC 527a_100000126638_100000174002 [0,2,0,0,0,0|2,0,0]=4 10236 B12R0.103 CCCCC(C)NC(=O)COCC 11a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 10237 B12R0.103 CCCCC(C)NC(=O)COCC 1626a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 10238 B12R0.103 CCCCC(C)NC(=O)COCC 240690a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 10239 B12R0.103 CCCCC(C)NC(=O)COCC 527a_100000126638_100000211967 [0,2,0,0,0,0|2,0,0]=4 10240 B12R0.103 CCCCC(C)NC(=O)CSCC 11a_100000126638_100000230394 [0,2,0,0,0,0|2,0,0]=4 10241 B12R0.103 CCCCC(C)NC(=O)CSCC 1626a_100000126638_100000230394 [0,2,0,0,0,0|2,0,0]=4 10242 B12R0.103 CCCCC(C)NC(=O)CSCC 240690a_100000126638_100000230394 [0,2,0,0,0,0|2,0,0]=4 10243 B12R0.103 CCCCC(C)NC(=O)CSCC 527a_100000126638_100000230394 [0,2,0,0,0,0|2,0,0]=4 10244 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 10245 B12R0.103 CCCCC(C)NC(=O)NCCC 2708a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 10246 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 10247 B12R0.103 CCCCC(C)NC(=O)NCCC 273464a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 10248 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100000126638_100020643023 [0,2,0,0,0,0|1,0,0]=3 10249 B12R0.103 CCCCC(C)NC(=O)NCCC 512a_100020643023_100000126638 [0,2,0,0,0,0|1,0,0]=3 10250 B12R0.103 CCCCC(C)NC(=O)NCCF 2708a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 10251 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 10252 B12R0.103 CCCCC(C)NC(=O)NCCF 273464a_100000724931_100000126638 [0,2,0,0,0,0|2,0,0]=4 10253 B12R0.103 CCCCC(C)NC(=O)NCCF 512a_100000126638_100000724931 [0,2,0,0,0,0|2,0,0]=4 10254 B12R0.103 CCCCC(C)NC(=O)NCCO 2708a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 10255 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 10256 B12R0.103 CCCCC(C)NC(=O)NCCO 273464a_100000210304_100000126638 [0,2,0,0,0,0|2,0,0]=4 10257 B12R0.103 CCCCC(C)NC(=O)NCCO 512a_100000126638_100000210304 [0,2,0,0,0,0|2,0,0]=4 10258 B12R0.103 CCCCC(C)NC(=O)NNCC 273464a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 10259 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000126638_100000756455 [0,2,0,0,0,0|2,0,0]=4 10260 B12R0.103 CCCCC(C)NC(=O)NNCC 512a_100000756455_100000126638 [0,2,0,0,0,0|2,0,0]=4 10261 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000207549_100000183358 [0,2,0,0,0,0|1,0,0]=3 10262 B12R0.103 CCCCN(C)CC(=O)NCCC 2230a_100000684209_100000210211 [0,2,0,0,0,0|1,0,0]=3 10263 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000207549_100000183358 [0,2,0,0,0,0|1,0,0]=3 10264 B12R0.103 CCCCN(C)CC(=O)NCCC 269982a_100000684209_100000210211 [0,2,0,0,0,0|1,0,0]=3 10265 B12R0.103 CCCCN(C)CC(=O)OCCC 2230a_100000207549_200011215008 [0,2,0,0,0,0|0,0,0]=2 10266 B12R0.103 CCCCN(C)CC(=O)OCCC 269982a_100000207549_200011215008 [0,2,0,0,0,0|0,0,0]=2 10267 B12R0.103 CCCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183358 [0,2,0,0,0,0|1,0,1]=4 10268 B12R0.103 CCCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183358 [0,2,0,0,0,0|1,0,1]=4 10269 B12R0.103 CCCNC(=O)CC(=O)COCC 1458a_100000211967_100000183358 [0,2,0,0,0,0|1,0,1]=4 10270 B12R0.103 CCCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183358 [0,2,0,0,0,0|1,0,1]=4 10271 B12R0.103 CCCNC(=O)CN(C)CCCF 2230a_100000684209_100011934791 [0,2,0,0,0,0|2,0,0]=4 10272 B12R0.103 CCCNC(=O)CN(C)CCCF 269982a_100000684209_100011934791 [0,2,0,0,0,0|2,0,0]=4 10273 B12R0.103 CCCNC(=O)CN(C)CCCO 2230a_100000213112_100000183358 [0,2,0,0,0,0|2,0,0]=4 10274 B12R0.103 CCCNC(=O)CN(C)CCCO 2230a_100000684209_100000230001 [0,2,0,0,0,0|2,0,0]=4 10275 B12R0.103 CCCNC(=O)CN(C)CCCO 269982a_100000213112_100000183358 [0,2,0,0,0,0|2,0,0]=4 10276 B12R0.103 CCCNC(=O)CN(C)CCCO 269982a_100000684209_100011215043 [0,2,0,0,0,0|2,0,0]=4 10277 B12R0.103 CCCNC(=O)CN(C)CCOC 2230a_100000684209_100011201679 [0,2,0,0,0,0|2,0,0]=4 10278 B12R0.103 CCCNC(=O)CN(C)CCOC 2230a_100000743101_100000183358 [0,2,0,0,0,0|2,0,0]=4 10279 B12R0.103 CCCNC(=O)CN(C)CCOC 240690a_100020643023_100015184299 [0,2,0,0,0,0|2,0,0]=4 10280 B12R0.103 CCCNC(=O)CN(C)CCOC 269982a_100000684209_100000233755 [0,2,0,0,0,0|2,0,0]=4 10281 B12R0.103 CCCNC(=O)CN(C)CCOC 269982a_100000743101_100000183358 [0,2,0,0,0,0|2,0,0]=4 10282 B12R0.103 CCCNC(=O)CN(C)CCOC 527a_100020643023_100015184299 [0,2,0,0,0,0|2,0,0]=4 10283 B12R0.103 CCCNC(=O)CN(C)CCSC 2230a_100000684209_100000751147 [0,2,0,0,0,0|2,0,0]=4 10284 B12R0.103 CCCNC(=O)CN(C)CCSC 2230a_100000686725_100000183358 [0,2,0,0,0,0|2,0,0]=4 10285 B12R0.103 CCCNC(=O)CN(C)CCSC 269982a_100000684209_100000212216 [0,2,0,0,0,0|2,0,0]=4 10286 B12R0.103 CCCNC(=O)CN(C)CCSC 269982a_100000686725_100000183358 [0,2,0,0,0,0|2,0,0]=4 10287 B12R0.103 CCCNC(=O)CN(C)COCC 269982a_100000684209_100000739092 [0,2,0,0,0,0|2,0,0]=4 10288 B12R0.103 CCCOC(=O)CC(=NNCC)C 4a_100000756455_200000037925 [0,2,0,0,0,0|1,0,1]=4 10289 B12R0.103 CCCOC(=O)CC(=O)CCC#N 1458a_100011934036_200011215008 [0,2,0,0,0,0|0,0,2]=4 10290 B12R0.103 CCCOC(=O)CC(=O)CCOC 1458a_100000749529_200011215008 [0,2,0,0,0,0|0,0,1]=3 10291 B12R0.103 CCCOC(=O)CC(=O)CCSC 1458a_100000174002_200011215008 [0,2,0,0,0,0|0,0,1]=3 10292 B12R0.103 CCCOC(=O)CC(=O)COCC 1458a_100000211967_200011215008 [0,2,0,0,0,0|0,0,1]=3 10293 B12R0.103 CCCOC(=O)CC(=O)CSCC 1458a_100000230394_200011215008 [0,2,0,0,0,0|0,0,1]=3 10294 B12R0.103 CCCOC(=O)CN(C)CCC#N 2230a_100000184479_200011215008 [0,2,0,0,0,0|1,0,1]=4 10295 B12R0.103 CCCOC(=O)CN(C)CCCO 2230a_100000213112_200011215008 [0,2,0,0,0,0|1,0,0]=3 10296 B12R0.103 CCCOC(=O)CN(C)CCCO 269982a_100000213112_200011215008 [0,2,0,0,0,0|1,0,0]=3 10297 B12R0.103 CCCOC(=O)CN(C)CCOC 2230a_100000743101_200011215008 [0,2,0,0,0,0|1,0,0]=3 10298 B12R0.103 CCCOC(=O)CN(C)CCOC 269982a_100000743101_200011215008 [0,2,0,0,0,0|1,0,0]=3 10299 B12R0.103 CCCOC(=O)CN(C)CCSC 2230a_100000686725_200011215008 [0,2,0,0,0,0|1,0,0]=3 10300 B12R0.103 CCCOC(=O)CN(C)CCSC 269982a_100000686725_200011215008 [0,2,0,0,0,0|1,0,0]=3 10301 B12R0.132 CCCCC(=O)NC(CC)CCC 11a_100000747048_100000210183 [0,2,0,0,0,0|2,0,0]=4 10302 B12R0.132 CCCCC(=O)NC(CC)CCC 1626a_100000747048_100000210183 [0,2,0,0,0,0|2,0,0]=4 10303 B12R0.132 CCCCC(=O)NC(CC)CCC 240690a_100000747048_100000210183 [0,2,0,0,0,0|2,0,0]=4 10304 B12R0.132 CCCCC(=O)NC(CC)CCC 527a_100000747048_100000210183 [0,2,0,0,0,0|2,0,0]=4 10305 B12R0.132 CCCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000210183 [0,2,0,0,0,0|2,0,0]=4 10306 B12R0.132 CCCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000210183 [0,2,0,0,0,0|2,0,0]=4 10307 B12R0.132 CCCNC(=O)CN(CC)CCC 2230a_100000226822_100000183358 [0,2,0,0,0,0|2,0,0]=4 10308 B12R0.132 CCCNC(=O)CN(CC)CCC 269982a_100000226822_100000183358 [0,2,0,0,0,0|2,0,0]=4 10309 B12R0.132 CCCNC(=O)NC(CC)CCC 2708a_100000747048_100020643023 [0,2,0,0,0,0|2,0,0]=4 10310 B12R0.132 CCCNC(=O)NC(CC)CCC 2708a_100020643023_100000747048 [0,2,0,0,0,0|2,0,0]=4 10311 B12R0.132 CCCNC(=O)NC(CC)CCC 273464a_100000747048_100020643023 [0,2,0,0,0,0|2,0,0]=4 10312 B12R0.132 CCCNC(=O)NC(CC)CCC 273464a_100020643023_100000747048 [0,2,0,0,0,0|2,0,0]=4 10313 B12R0.132 CCCNC(=O)NC(CC)CCC 512a_100000747048_100020643023 [0,2,0,0,0,0|2,0,0]=4 10314 B12R0.132 CCCNC(=O)NC(CC)CCC 512a_100020643023_100000747048 [0,2,0,0,0,0|2,0,0]=4 10315 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 2708a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 10316 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 273464a_100000732646_100020643023 [0,2,0,0,0,0|2,0,0]=4 10317 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 273464a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 10318 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 512a_100000732646_100020643023 [0,2,0,0,0,0|2,0,0]=4 10319 B12R0.132 CCCNC(=O)N[C@H](CO)CCC 512a_100020643023_100000732646 [0,2,0,0,0,0|2,0,0]=4 10320 B12R0.132 CCCOC(=O)CN(CC)CCC 2230a_100000226822_200011215008 [0,2,0,0,0,0|1,0,0]=3 10321 B12R0.132 CCCOC(=O)CN(CC)CCC 269982a_100000226822_200011215008 [0,2,0,0,0,0|1,0,0]=3 10322 B12R0.132 CCCOC(=O)CN(CC)CCO 2230a_100000210973_200011215008 [0,2,0,0,0,0|2,0,0]=4 10323 B12R0.132 CCCOC(=O)CN(CC)CCO 269982a_100000210973_200011215008 [0,2,0,0,0,0|2,0,0]=4 10324 B12R0.134 CCCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210211 [0,2,0,0,0,0|2,0,0]=4 10325 B12R0.134 CCCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183358 [0,2,0,0,0,0|1,0,1]=4 10326 B12R0.134 CCCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183358 [0,2,0,0,0,0|1,0,1]=4 10327 B12R0.134 CCCNC(=O)CC(C)N(C)CC 1626a_100020643023_200015187196 [0,2,0,0,0,0|2,0,0]=4 10328 B12R0.134 CCCNC(=O)CC(C)N(C)CC 240690a_100020643023_200015187196 [0,2,0,0,0,0|2,0,0]=4 10329 B12R0.134 CCCNC(=O)CC(C)N(C)CC 527a_100020643023_200015187196 [0,2,0,0,0,0|2,0,0]=4 10330 B12R0.134 CCCNC(=O)CN(C)C(C)CC 2230a_100000684209_100000758301 [0,2,0,0,0,0|2,0,0]=4 10331 B12R0.134 CCCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183358 [0,2,0,0,0,0|2,0,0]=4 10332 B12R0.134 CCCNC(=O)CN(C)C(C)CC 269982a_100000684209_100000758301 [0,2,0,0,0,0|2,0,0]=4 10333 B12R0.134 CCCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183358 [0,2,0,0,0,0|2,0,0]=4 10334 B12R0.134 CCCOC(=O)CC(=O)C(C)CC 1458a_100011192722_200011215008 [0,2,0,0,0,0|0,0,1]=3 10335 B12R0.134 CCCOC(=O)CC(=O)C(C)OC 1458a_100000743197_200011215008 [0,2,0,0,0,0|1,0,1]=4 10336 B12R0.134 CCCOC(=O)CC(=O)C(C)SC 1458a_100000149566_200011215008 [0,2,0,0,0,0|1,0,1]=4 10337 B12R0.134 CCCOC(=O)CC(=O)C(O)CC 1458a_100011196387_200011215008 [0,2,0,0,0,0|0,0,1]=3 10338 B12R0.134 CCCOC(=O)CC(=O)C(O)CO 1458a_100011215603_200011215008 [0,2,0,0,0,0|1,0,1]=4 10339 B12R0.134 CCCOC(=O)CN(C)C(C)CC 2230a_100000741768_200011215008 [0,2,0,0,0,0|1,0,0]=3 10340 B12R0.134 CCCOC(=O)CN(C)C(C)CC 269982a_100000741768_200011215008 [0,2,0,0,0,0|1,0,0]=3 10341 B12R0.134 CCCOC(=O)CN(C)C(C)CO 2230a_100000693034_200011215008 [0,2,0,0,0,0|2,0,0]=4 10342 B12R0.134 CCCOC(=O)CN(C)C(C)CO 269982a_100000693034_200011215008 [0,2,0,0,0,0|2,0,0]=4 10343 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000690238_100011216630 [0,2,0,0,0,0|1,0,1]=4 10344 B12R0.239 C#CCCCC(=O)CC(C)CCC 1458a_100000748435_100000731252 [0,2,0,0,0,0|1,0,1]=4 10345 B12R0.239 C#CCCNC(=O)CC(C)CCC 11a_100000755551_100000748435 [0,2,0,0,0,0|1,0,1]=4 10346 B12R0.239 C#CCCNC(=O)CC(C)CCC 1626a_100000755551_100000748435 [0,2,0,0,0,0|1,0,1]=4 10347 B12R0.239 C#CCCNC(=O)CC(C)CCC 240690a_100000755551_100000748435 [0,2,0,0,0,0|1,0,1]=4 10348 B12R0.239 C#CCCNC(=O)CC(C)CCC 527a_100000755551_100000748435 [0,2,0,0,0,0|1,0,1]=4 10349 B12R0.239 C#CCOCC(=O)CC(C)CCC 1458a_100011251226_100011216630 [0,2,0,0,0,0|0,0,2]=4 10350 B12R0.239 C=C(CCC)CC(=O)CCCCC 1458a_100000138376_100000210326 [0,2,0,0,0,0|1,0,0]=3 10351 B12R0.239 C=C(CCC)CC(=O)CCCCF 1458a_100000138376_100000729493 [0,2,0,0,0,0|1,0,1]=4 10352 B12R0.239 C=C(CCC)CC(=O)CCCCO 1458a_100000138376_100000210776 [0,2,0,0,0,0|1,0,1]=4 10353 B12R0.239 C=C(CCC)CC(=O)CCCOC 1458a_100000138376_100000740836 [0,2,0,0,0,0|1,0,1]=4 10354 B12R0.239 C=C(CCC)CC(=O)CCOCC 1458a_100000138376_100011215890 [0,2,0,0,0,0|1,0,1]=4 10355 B12R0.239 C=C(CCC)CC(=O)CCSCC 1458a_100000138376_100000757381 [0,2,0,0,0,0|1,0,1]=4 10356 B12R0.239 C=C(CCC)CC(=O)NCCCC 11a_100000102301_100000138376 [0,2,0,0,0,0|1,0,1]=4 10357 B12R0.239 C=C(CCC)CC(=O)NCCCC 240690a_100000102301_100000138376 [0,2,0,0,0,0|1,0,1]=4 10358 B12R0.239 C=C(CCC)CC(=O)NCCCC 527a_100000102301_100000138376 [0,2,0,0,0,0|1,0,1]=4 10359 B12R0.239 C=C(CCC)CC(=O)NCCCF 11a_100015189416_100000138376 [0,2,0,0,0,0|1,0,1]=4 10360 B12R0.239 C=C(CCC)CC(=O)NCCCF 240690a_100015189416_100000138376 [0,2,0,0,0,0|1,0,1]=4 10361 B12R0.239 C=C(CCC)CC(=O)NCCCF 527a_100015189416_100000138376 [0,2,0,0,0,0|1,0,1]=4 10362 B12R0.239 C=C(CCC)CC(=O)NCCCO 240690a_100000182051_100000138376 [0,2,0,0,0,0|1,0,1]=4 10363 B12R0.239 C=C(CCC)CC(=O)NCCCO 527a_100000182051_100000138376 [0,2,0,0,0,0|1,0,1]=4 10364 B12R0.239 C=C(CCC)CC(=O)NCCOC 240690a_100000209980_100000138376 [0,2,0,0,0,0|1,0,1]=4 10365 B12R0.239 C=C(CCC)CC(=O)NCCOC 527a_100000209980_100000138376 [0,2,0,0,0,0|1,0,1]=4 10366 B12R0.239 C=C(CCC)CC(=O)NCCSC 11a_100020590264_100000138376 [0,2,0,0,0,0|1,0,1]=4 10367 B12R0.239 C=C(CCC)CC(=O)NCCSC 240690a_100020590264_100000138376 [0,2,0,0,0,0|1,0,1]=4 10368 B12R0.239 C=C(CCC)CC(=O)NCCSC 527a_100020590264_100000138376 [0,2,0,0,0,0|1,0,1]=4 10369 B12R0.239 C=C(CCC)CC(=O)NNCCC 22a_100000740057_100000138376 [0,2,0,0,0,0|1,0,1]=4 10370 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000748435_100000757094 [0,2,0,0,0,0|1,0,1]=4 10371 B12R0.239 C=CCCCC(=O)CC(C)CCC 1458a_100000766728_100011216630 [0,2,0,0,0,0|1,0,1]=4 10372 B12R0.239 C=CCCNC(=O)CC(C)CCC 11a_100015191253_100000748435 [0,2,0,0,0,0|1,0,1]=4 10373 B12R0.239 C=CCCNC(=O)CC(C)CCC 1626a_100015191253_100000748435 [0,2,0,0,0,0|1,0,1]=4 10374 B12R0.239 C=CCCNC(=O)CC(C)CCC 240690a_100015191253_100000748435 [0,2,0,0,0,0|1,0,1]=4 10375 B12R0.239 C=CCCNC(=O)CC(C)CCC 527a_100015191253_100000748435 [0,2,0,0,0,0|1,0,1]=4 10376 B12R0.239 CC#CCNC(=O)CC(C)CCC 11a_100000685387_100000748435 [0,2,0,0,0,0|1,0,1]=4 10377 B12R0.239 CC#CCNC(=O)CC(C)CCC 1626a_100000685387_100000748435 [0,2,0,0,0,0|1,0,1]=4 10378 B12R0.239 CC#CCNC(=O)CC(C)CCC 527a_100000685387_100000748435 [0,2,0,0,0,0|1,0,1]=4 10379 B12R0.239 CC/C=C/CC(=O)CC(C)CCC 1458a_100016274230_100011216630 [0,2,0,0,0,0|1,0,1]=4 10380 B12R0.239 CC/C=C\CC(=O)CC(C)CCC 1458a_100000748435_100103147603 [0,2,0,0,0,0|1,0,1]=4 10381 B12R0.239 CCC#CCC(=O)CC(C)CCC 1458a_100000748435_100009813939 [0,2,0,0,0,0|1,0,1]=4 10382 B12R0.239 CCCC#CC(=O)CC(=O)CCC 1458a_200011218047_100000747444 [0,2,0,0,0,0|1,0,1]=4 10383 B12R0.239 CCCC#CC(=O)CC(C)CCC 1458a_200011218047_100011216630 [0,2,0,0,0,0|1,0,0]=3 10384 B12R0.239 CCCC#CC(=O)NC(C)CCC 240690a_100000741246_200011218047 [0,2,0,0,0,0|2,0,0]=4 10385 B12R0.239 CCCC(=CC(=O)CCCCF)C 1458a_100020676950_100000729493 [0,2,0,0,0,0|2,0,0]=4 10386 B12R0.239 CCCC(=CC(=O)CCCCO)C 1458a_100020676950_100000210776 [0,2,0,0,0,0|2,0,0]=4 10387 B12R0.239 CCCC(=CC(=O)CCCOC)C 1458a_100020676950_100000740836 [0,2,0,0,0,0|2,0,0]=4 10388 B12R0.239 CCCC(=CC(=O)CCOCC)C 1458a_100020676950_100011215890 [0,2,0,0,0,0|2,0,0]=4 10389 B12R0.239 CCCC(=CC(=O)CCSCC)C 1458a_100020676950_100000757381 [0,2,0,0,0,0|2,0,0]=4 10390 B12R0.239 CCCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747444 [0,2,0,0,0,0|1,0,1]=4 10391 B12R0.239 CCCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747444 [0,2,0,0,0,0|1,0,1]=4 10392 B12R0.239 CCCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747444 [0,2,0,0,0,0|1,0,1]=4 10393 B12R0.239 CCCC(=O)CC(=O)CCOCC 1458a_100000749530_100000747444 [0,2,0,0,0,0|1,0,1]=4 10394 B12R0.239 CCCC(=O)CC(=O)CCSCC 1458a_100000230768_100000747444 [0,2,0,0,0,0|1,0,1]=4 10395 B12R0.239 CCCC(=O)CC(=O)COCCO 1458a_100000708028_100000747444 [0,2,0,0,0,0|1,0,1]=4 10396 B12R0.239 CCCC(=O)CC(=O)NCCOC 1458a_100000211992_100000183275 [0,2,0,0,0,0|1,0,1]=4 10397 B12R0.239 CCCC(=O)CC(=O)OCCOC 1458a_100000211992_200000040189 [0,2,0,0,0,0|0,0,1]=3 10398 B12R0.239 CCCC(C)CC(=O)C=CCOC 1458a_100016285016_100011216630 [0,2,0,0,0,0|1,0,1]=4 10399 B12R0.239 CCCC(C)CC(=O)C=COCC 1458a_100016266692_100011216630 [0,2,0,0,0,0|1,0,1]=4 10400 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000075515_100011216630 [0,2,0,0,0,0|1,0,1]=4 10401 B12R0.239 CCCC(C)CC(=O)CCCC#N 1458a_100000748435_100000211468 [0,2,0,0,0,0|1,0,1]=4 10402 B12R0.239 CCCC(C)CC(=O)CCCCF 1458a_100000748435_100000729493 [0,2,0,0,0,0|1,0,0]=3 10403 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000695505_100011216630 [0,2,0,0,0,0|1,0,0]=3 10404 B12R0.239 CCCC(C)CC(=O)CCCCO 1458a_100000748435_100000210776 [0,2,0,0,0,0|1,0,0]=3 10405 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000741012_100011216630 [0,2,0,0,0,0|1,0,0]=3 10406 B12R0.239 CCCC(C)CC(=O)CCCOC 1458a_100000748435_100000740836 [0,2,0,0,0,0|1,0,0]=3 10407 B12R0.239 CCCC(C)CC(=O)CCCSC 1458a_100000173376_100011216630 [0,2,0,0,0,0|1,0,0]=3 10408 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000748435_100011215890 [0,2,0,0,0,0|1,0,0]=3 10409 B12R0.239 CCCC(C)CC(=O)CCOCC 1458a_100000749530_100011216630 [0,2,0,0,0,0|1,0,0]=3 10410 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000230768_100011216630 [0,2,0,0,0,0|1,0,0]=3 10411 B12R0.239 CCCC(C)CC(=O)CCSCC 1458a_100000748435_100000757381 [0,2,0,0,0,0|1,0,0]=3 10412 B12R0.239 CCCC(C)CC(=O)COCCO 1458a_100000708028_100011216630 [0,2,0,0,0,0|1,0,0]=3 10413 B12R0.239 CCCC(C)CC(=O)NCCC#N 11a_100000720768_100000748435 [0,2,0,0,0,0|1,0,1]=4 10414 B12R0.239 CCCC(C)CC(=O)NCCC#N 1626a_100000720768_100000748435 [0,2,0,0,0,0|1,0,1]=4 10415 B12R0.239 CCCC(C)CC(=O)NCCC#N 240690a_100000720768_100000748435 [0,2,0,0,0,0|1,0,1]=4 10416 B12R0.239 CCCC(C)CC(=O)NCCC#N 527a_100000720768_100000748435 [0,2,0,0,0,0|1,0,1]=4 10417 B12R0.239 CCCC(C)CC(=O)NCCCF 11a_100015189416_100000748435 [0,2,0,0,0,0|1,0,0]=3 10418 B12R0.239 CCCC(C)CC(=O)NCCCF 1626a_100015189416_100000748435 [0,2,0,0,0,0|1,0,0]=3 10419 B12R0.239 CCCC(C)CC(=O)NCCCF 240690a_100015189416_100000748435 [0,2,0,0,0,0|1,0,0]=3 10420 B12R0.239 CCCC(C)CC(=O)NCCCF 527a_100015189416_100000748435 [0,2,0,0,0,0|1,0,0]=3 10421 B12R0.239 CCCC(C)CC(=O)NCCCO 240690a_100000182051_100000748435 [0,2,0,0,0,0|1,0,0]=3 10422 B12R0.239 CCCC(C)CC(=O)NCCCO 527a_100000182051_100000748435 [0,2,0,0,0,0|1,0,0]=3 10423 B12R0.239 CCCC(C)CC(=O)NCCOC 1626a_100000209980_100000748435 [0,2,0,0,0,0|1,0,0]=3 10424 B12R0.239 CCCC(C)CC(=O)NCCOC 240690a_100000209980_100000748435 [0,2,0,0,0,0|1,0,0]=3 10425 B12R0.239 CCCC(C)CC(=O)NCCOC 527a_100000209980_100000748435 [0,2,0,0,0,0|1,0,0]=3 10426 B12R0.239 CCCC(C)CC(=O)NCCSC 11a_100020590264_100000748435 [0,2,0,0,0,0|1,0,0]=3 10427 B12R0.239 CCCC(C)CC(=O)NCCSC 1626a_100020590264_100000748435 [0,2,0,0,0,0|1,0,0]=3 10428 B12R0.239 CCCC(C)CC(=O)NCCSC 240690a_100020590264_100000748435 [0,2,0,0,0,0|1,0,0]=3 10429 B12R0.239 CCCC(C)CC(=O)NCCSC 527a_100020590264_100000748435 [0,2,0,0,0,0|1,0,0]=3 10430 B12R0.239 CCCC(C)CC(=O)NNCCO 22a_100000210001_100000748435 [0,2,0,0,0,0|2,0,0]=4 10431 B12R0.239 CCCC(C)NC(=O)CCCCO 1626a_100000741246_100000695505 [0,2,0,0,0,0|2,0,0]=4 10432 B12R0.239 CCCC(C)NC(=O)CCCOC 11a_100000741246_100000741012 [0,2,0,0,0,0|2,0,0]=4 10433 B12R0.239 CCCC(C)NC(=O)CCCOC 1626a_100000741246_100000741012 [0,2,0,0,0,0|2,0,0]=4 10434 B12R0.239 CCCC(C)NC(=O)CCCOC 240690a_100000741246_100000741012 [0,2,0,0,0,0|2,0,0]=4 10435 B12R0.239 CCCC(C)NC(=O)CCCOC 527a_100000741246_100000741012 [0,2,0,0,0,0|2,0,0]=4 10436 B12R0.239 CCCC(C)NC(=O)CCCSC 11a_100000741246_100000173376 [0,2,0,0,0,0|2,0,0]=4 10437 B12R0.239 CCCC(C)NC(=O)CCCSC 1626a_100000741246_100000173376 [0,2,0,0,0,0|2,0,0]=4 10438 B12R0.239 CCCC(C)NC(=O)CCCSC 240690a_100000741246_100000173376 [0,2,0,0,0,0|2,0,0]=4 10439 B12R0.239 CCCC(C)NC(=O)CCCSC 527a_100000741246_100000173376 [0,2,0,0,0,0|2,0,0]=4 10440 B12R0.239 CCCC(C)NC(=O)CCOCC 11a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 10441 B12R0.239 CCCC(C)NC(=O)CCOCC 1626a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 10442 B12R0.239 CCCC(C)NC(=O)CCOCC 240690a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 10443 B12R0.239 CCCC(C)NC(=O)CCOCC 527a_100000741246_100000749530 [0,2,0,0,0,0|2,0,0]=4 10444 B12R0.239 CCCC(C)NC(=O)CCSCC 11a_100000741246_100000230768 [0,2,0,0,0,0|2,0,0]=4 10445 B12R0.239 CCCC(C)NC(=O)CCSCC 1626a_100000741246_100000230768 [0,2,0,0,0,0|2,0,0]=4 10446 B12R0.239 CCCC(C)NC(=O)CCSCC 240690a_100000741246_100000230768 [0,2,0,0,0,0|2,0,0]=4 10447 B12R0.239 CCCC(C)NC(=O)CCSCC 527a_100000741246_100000230768 [0,2,0,0,0,0|2,0,0]=4 10448 B12R0.239 CCCC(C)NC(=O)COCCO 1626a_100000741246_100000708028 [0,2,0,0,0,0|2,0,0]=4 10449 B12R0.239 CCCC(C)NC(=O)COCCO 240690a_100000741246_100000708028 [0,2,0,0,0,0|2,0,0]=4 10450 B12R0.239 CCCC(C)NC(=O)NCCCF 2708a_100000741246_100015189416 [0,2,0,0,0,0|2,0,0]=4 10451 B12R0.239 CCCC(C)NC(=O)NCCCF 2708a_100015189416_100000741246 [0,2,0,0,0,0|2,0,0]=4 10452 B12R0.239 CCCC(C)NC(=O)NCCCF 273464a_100000741246_100015189416 [0,2,0,0,0,0|2,0,0]=4 10453 B12R0.239 CCCC(C)NC(=O)NCCCF 512a_100000741246_100015189416 [0,2,0,0,0,0|2,0,0]=4 10454 B12R0.239 CCCC(C)NC(=O)NCCCF 512a_100015189416_100000741246 [0,2,0,0,0,0|2,0,0]=4 10455 B12R0.239 CCCC(C)NC(=O)NCCCO 2708a_100000741246_100000182051 [0,2,0,0,0,0|2,0,0]=4 10456 B12R0.239 CCCC(C)NC(=O)NCCCO 273464a_100000741246_100000182051 [0,2,0,0,0,0|2,0,0]=4 10457 B12R0.239 CCCC(C)NC(=O)NCCCO 512a_100000741246_100000182051 [0,2,0,0,0,0|2,0,0]=4 10458 B12R0.239 CCCC(C)NC(=O)NCCOC 2708a_100000741246_100000209980 [0,2,0,0,0,0|2,0,0]=4 10459 B12R0.239 CCCC(C)NC(=O)NCCOC 273464a_100000741246_100000209980 [0,2,0,0,0,0|2,0,0]=4 10460 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100000741246_100020590264 [0,2,0,0,0,0|2,0,0]=4 10461 B12R0.239 CCCC(C)NC(=O)NCCSC 2708a_100020590264_100000741246 [0,2,0,0,0,0|2,0,0]=4 10462 B12R0.239 CCCC(C)NC(=O)NCCSC 273464a_100000741246_100020590264 [0,2,0,0,0,0|2,0,0]=4 10463 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100000741246_100020590264 [0,2,0,0,0,0|2,0,0]=4 10464 B12R0.239 CCCC(C)NC(=O)NCCSC 512a_100020590264_100000741246 [0,2,0,0,0,0|2,0,0]=4 10465 B12R0.239 CCCC=CC(=O)CC(=O)CCC 1458a_100000212230_100000747444 [0,2,0,0,0,0|1,0,1]=4 10466 B12R0.239 CCCC=CC(=O)CC(C)CCC 1458a_100000212230_100011216630 [0,2,0,0,0,0|1,0,0]=3 10467 B12R0.239 CCCC=CC(=O)NC(C)CCC 11a_100000741246_100000212230 [0,2,0,0,0,0|2,0,0]=4 10468 B12R0.239 CCCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212230 [0,2,0,0,0,0|2,0,0]=4 10469 B12R0.239 CCCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212230 [0,2,0,0,0,0|2,0,0]=4 10470 B12R0.239 CCCCCC(=O)C=C(C)CCC 1458a_100020676950_100000210326 [0,2,0,0,0,0|1,0,0]=3 10471 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000211992_200012276598 [0,2,0,0,0,0|1,0,0]=3 10472 B12R0.239 CCCCCC(=O)CC(=O)CCC 1458a_100000212188_100000747444 [0,2,0,0,0,0|1,0,0]=3 10473 B12R0.239 CCCCCC(=O)CC(=O)CCO 1458a_100011216618_200012276598 [0,2,0,0,0,0|1,0,1]=4 10474 B12R0.239 CCCCCC(=O)CC(=O)COC 1458a_100000210968_200012276598 [0,2,0,0,0,0|1,0,1]=4 10475 B12R0.239 CCCCCC(=O)CC(=O)CSC 1458a_100000184570_200012276598 [0,2,0,0,0,0|1,0,1]=4 10476 B12R0.239 CCCCCC(=O)CC(=O)NCC 1458a_100000212188_100000183381 [0,2,0,0,0,0|1,0,1]=4 10477 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000212188_100000188475 [0,2,0,0,0,0|1,0,1]=4 10478 B12R0.239 CCCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210326 [0,2,0,0,0,0|1,0,1]=4 10479 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000212188_100011216630 [0,2,0,0,0,0|1,0,0]=3 10480 B12R0.239 CCCCCC(=O)CC(C)CCC 1458a_100000748435_100000210326 [0,2,0,0,0,0|1,0,0]=3 10481 B12R0.239 CCCCCC(=O)CC(C)SCC 1458a_200011311441_100000210326 [0,2,0,0,0,0|1,0,0]=3 10482 B12R0.239 CCCCCC(=O)CN(C)CCC 2230a_100000747261_200012276598 [0,2,0,0,0,0|1,0,0]=3 10483 B12R0.239 CCCCCC(=O)CN(C)CCC 269982a_100000747261_200012276598 [0,2,0,0,0,0|1,0,0]=3 10484 B12R0.239 CCCCCC(=O)CN(C)CCO 2230a_100000210263_200012276598 [0,2,0,0,0,0|2,0,0]=4 10485 B12R0.239 CCCCCC(=O)CN(C)CCO 269982a_100000210263_200012276598 [0,2,0,0,0,0|2,0,0]=4 10486 B12R0.239 CCCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210326 [0,2,0,0,0,0|0,1,0]=3 10487 B12R0.239 CCCCCC(=O)NC(C)CCC 11a_100000741246_100000212188 [0,2,0,0,0,0|1,0,0]=3 10488 B12R0.239 CCCCCC(=O)NC(C)CCC 1626a_100000741246_100000212188 [0,2,0,0,0,0|1,0,0]=3 10489 B12R0.239 CCCCCC(=O)NC(C)CCC 240690a_100000741246_100000212188 [0,2,0,0,0,0|1,0,0]=3 10490 B12R0.239 CCCCCC(=O)NC(C)CCC 527a_100000741246_100000212188 [0,2,0,0,0,0|1,0,0]=3 10491 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 11a_100016994482_100000212188 [0,2,0,0,0,0|1,0,1]=4 10492 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 1626a_100016994482_100000212188 [0,2,0,0,0,0|1,0,1]=4 10493 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 240690a_100016994482_100000212188 [0,2,0,0,0,0|1,0,1]=4 10494 B12R0.239 CCCCCC(=O)N[C@@H](C)CC#N 527a_100016994482_100000212188 [0,2,0,0,0,0|1,0,1]=4 10495 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000212188 [0,2,0,0,0,0|1,0,0]=3 10496 B12R0.239 CCCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000212188 [0,2,0,0,0,0|1,0,0]=3 10497 B12R0.239 CCCCCC(=O)N[C@H](C)COC 11a_100000764878_100000212188 [0,2,0,0,0,0|1,0,0]=3 10498 B12R0.239 CCCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000212188 [0,2,0,0,0,0|1,0,0]=3 10499 B12R0.239 CCCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000212188 [0,2,0,0,0,0|1,0,0]=3 10500 B12R0.239 CCCCCC(=O)N[C@H](C)COC 527a_100000764878_100000212188 [0,2,0,0,0,0|1,0,0]=3 10501 B12R0.239 CCCCCC(C)OC(C)CCBr 34a_100012276601_200011218191 [0,2,0,0,0,0|1,0,1]=4 10502 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100000764384_200011218191 [0,2,0,0,0,0|1,0,1]=4 10503 B12R0.239 CCCCCC(C)OC(C)CCC 34a_100011215632_100000766640 [0,2,0,0,0,0|1,0,1]=4 10504 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100000764384_200011218191 [0,2,0,0,0,0|1,0,1]=4 10505 B12R0.239 CCCCCC(C)OC(C)CCC 7a_100011215632_100000766640 [0,2,0,0,0,0|1,0,1]=4 10506 B12R0.239 CCCCCC(C)OC(C)CCO 34a_100011215632_100009893172 [0,2,0,0,0,0|1,0,1]=4 10507 B12R0.239 CCCCCC(C)OC(C)CCO 7a_100011215632_100009893172 [0,2,0,0,0,0|1,0,1]=4 10508 B12R0.239 CCCCCC(C)OC(C)COC 34a_100011215632_100000765312 [0,2,0,0,0,0|1,0,1]=4 10509 B12R0.239 CCCCCC(C)OC(C)COC 7a_100011215632_100000765312 [0,2,0,0,0,0|1,0,1]=4 10510 B12R0.239 CCCCCC(C)O[C@H](C)COC 34a_100011934205_200011218191 [0,2,0,0,0,0|1,0,1]=4 10511 B12R0.239 CCCCNC(=O)C=C(C)CCC 11a_100000102301_100020676950 [0,2,0,0,0,0|2,0,0]=4 10512 B12R0.239 CCCCNC(=O)C=C(C)CCC 1626a_100000102301_100020676950 [0,2,0,0,0,0|2,0,0]=4 10513 B12R0.239 CCCCNC(=O)C=C(C)CCC 240690a_100000102301_100020676950 [0,2,0,0,0,0|2,0,0]=4 10514 B12R0.239 CCCCNC(=O)CC(=O)CCC 1458a_100000211992_100000182744 [0,2,0,0,0,0|1,0,1]=4 10515 B12R0.239 CCCCNC(=O)CC(C)CCC 11a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 10516 B12R0.239 CCCCNC(=O)CC(C)CCC 1626a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 10517 B12R0.239 CCCCNC(=O)CC(C)CCC 240690a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 10518 B12R0.239 CCCCNC(=O)CC(C)CCC 527a_100000102301_100000748435 [0,2,0,0,0,0|1,0,0]=3 10519 B12R0.239 CCCCNC(=O)CC(C)SCC 11a_100000102301_200011311441 [0,2,0,0,0,0|2,0,0]=4 10520 B12R0.239 CCCCNC(=O)CC(C)SCC 1626a_100000102301_200011311441 [0,2,0,0,0,0|2,0,0]=4 10521 B12R0.239 CCCCNC(=O)CC(C)SCC 240690a_100000102301_200011311441 [0,2,0,0,0,0|2,0,0]=4 10522 B12R0.239 CCCCNC(=O)CC(C)SCC 527a_100000102301_200011311441 [0,2,0,0,0,0|2,0,0]=4 10523 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_100000747261_100000182744 [0,2,0,0,0,0|2,0,0]=4 10524 B12R0.239 CCCCNC(=O)CN(C)CCC 2230a_200000213093_100000210303 [0,2,0,0,0,0|2,0,0]=4 10525 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_100000747261_100000182744 [0,2,0,0,0,0|2,0,0]=4 10526 B12R0.239 CCCCNC(=O)CN(C)CCC 269982a_200000213093_100000210303 [0,2,0,0,0,0|2,0,0]=4 10527 B12R0.239 CCCCNC(=O)CS(=O)CCC 11a_100000102301_100011387404 [0,2,0,0,0,0|1,1,0]=4 10528 B12R0.239 CCCCNC(=O)CS(=O)CCC 1626a_100000102301_100011387404 [0,2,0,0,0,0|1,1,0]=4 10529 B12R0.239 CCCCNC(=O)CS(=O)CCC 240690a_100000102301_100011387404 [0,2,0,0,0,0|1,1,0]=4 10530 B12R0.239 CCCCNC(=O)CS(=O)CCC 527a_100000102301_100011387404 [0,2,0,0,0,0|1,1,0]=4 10531 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000102301_100000741246 [0,2,0,0,0,0|2,0,0]=4 10532 B12R0.239 CCCCNC(=O)NC(C)CCC 2708a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 10533 B12R0.239 CCCCNC(=O)NC(C)CCC 273464a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 10534 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000102301_100000741246 [0,2,0,0,0,0|2,0,0]=4 10535 B12R0.239 CCCCNC(=O)NC(C)CCC 512a_100000741246_100000102301 [0,2,0,0,0,0|2,0,0]=4 10536 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 2708a_100000102301_100000706166 [0,2,0,0,0,0|2,0,0]=4 10537 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 273464a_100000706166_100000102301 [0,2,0,0,0,0|2,0,0]=4 10538 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000102301_100000706166 [0,2,0,0,0,0|2,0,0]=4 10539 B12R0.239 CCCCNC(=O)N[C@H](C)CCO 512a_100000706166_100000102301 [0,2,0,0,0,0|2,0,0]=4 10540 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 10541 B12R0.239 CCCCNC(=O)N[C@H](C)COC 2708a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 10542 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 10543 B12R0.239 CCCCNC(=O)N[C@H](C)COC 273464a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 10544 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000102301_100000764878 [0,2,0,0,0,0|2,0,0]=4 10545 B12R0.239 CCCCNC(=O)N[C@H](C)COC 512a_100000764878_100000102301 [0,2,0,0,0,0|2,0,0]=4 10546 B12R0.239 CCCCOC(=O)CC(=O)CCC 1458a_100000211992_100000211628 [0,2,0,0,0,0|0,0,1]=3 10547 B12R0.239 CCCCOC(=O)CC(=O)CCO 1458a_100011216618_100000211628 [0,2,0,0,0,0|1,0,1]=4 10548 B12R0.239 CCCCOC(=O)CC(=O)COC 1458a_100000210968_100000211628 [0,2,0,0,0,0|1,0,1]=4 10549 B12R0.239 CCCCOC(=O)CC(=O)CSC 1458a_100000184570_100000211628 [0,2,0,0,0,0|1,0,1]=4 10550 B12R0.239 CCCCOC(=O)CN(C)CCC 2230a_100000747261_100000211628 [0,2,0,0,0,0|1,0,0]=3 10551 B12R0.239 CCCCOC(=O)CN(C)CCC 269982a_100000747261_100000211628 [0,2,0,0,0,0|1,0,0]=3 10552 B12R0.239 CCCCOC(=O)CN(C)CCO 2230a_100000210263_100000211628 [0,2,0,0,0,0|2,0,0]=4 10553 B12R0.239 CCCCOC(=O)CN(C)CCO 269982a_100000210263_100000211628 [0,2,0,0,0,0|2,0,0]=4 10554 B12R0.239 CCCN(C)CC(=O)NCCOC 2230a_100000747261_100000183275 [0,2,0,0,0,0|2,0,0]=4 10555 B12R0.239 CCCN(C)CC(=O)NCCOC 2230a_100020672463_100000210303 [0,2,0,0,0,0|2,0,0]=4 10556 B12R0.239 CCCN(C)CC(=O)NCCOC 269982a_100000747261_100000183275 [0,2,0,0,0,0|2,0,0]=4 10557 B12R0.239 CCCN(C)CC(=O)NCCOC 269982a_100020672463_100000210303 [0,2,0,0,0,0|2,0,0]=4 10558 B12R0.239 CCCN(C)CC(=O)OCCOC 2230a_100000747261_200000040189 [0,2,0,0,0,0|1,0,0]=3 10559 B12R0.239 CCCN(C)CC(=O)OCCOC 269982a_100000747261_200000040189 [0,2,0,0,0,0|1,0,0]=3 10560 B12R0.239 CCCNNC(=O)CC(C)CCC 22a_100000740057_100000748435 [0,2,0,0,0,0|1,0,0]=3 10561 B12R0.239 CCCNNC(=O)CC(C)SCC 22a_100000740057_200011311441 [0,2,0,0,0,0|2,0,0]=4 10562 B12R0.239 CCCNNC(=O)CS(=O)CCC 22a_100000740057_100011387404 [0,2,0,0,0,0|2,0,0]=4 10563 B12R0.239 CCCNNC(=O)NC(C)CCC 273464a_100000741246_100000740057 [0,2,0,0,0,0|2,0,0]=4 10564 B12R0.239 CCCNNC(=O)NC(C)CCC 512a_100000740057_100000741246 [0,2,0,0,0,0|2,0,0]=4 10565 B12R0.239 CCCNNC(=O)NC(C)CCC 512a_100000741246_100000740057 [0,2,0,0,0,0|2,0,0]=4 10566 B12R0.239 CCCOCC(=O)CC(=O)CCC 1458a_100000745993_100000747444 [0,2,0,0,0,0|0,0,1]=3 10567 B12R0.239 CCCOCC(=O)CC(=O)NCC 1458a_100000745993_100000183381 [0,2,0,0,0,0|1,0,1]=4 10568 B12R0.239 CCCOCC(=O)CC(=O)OCC 1458a_100000745993_100000188475 [0,2,0,0,0,0|1,0,1]=4 10569 B12R0.239 CCCOCC(=O)CC(C)CCC 1458a_100000745993_100011216630 [0,2,0,0,0,0|0,0,0]=2 10570 B12R0.239 CCCOCC(=O)NC(C)CCC 11a_100000741246_100000745993 [0,2,0,0,0,0|1,0,0]=3 10571 B12R0.239 CCCOCC(=O)NC(C)CCC 1626a_100000741246_100000745993 [0,2,0,0,0,0|1,0,0]=3 10572 B12R0.239 CCCOCC(=O)NC(C)CCC 240690a_100000741246_100000745993 [0,2,0,0,0,0|1,0,0]=3 10573 B12R0.239 CCCOCC(=O)NC(C)CCC 527a_100000741246_100000745993 [0,2,0,0,0,0|1,0,0]=3 10574 B12R0.239 CCCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000745993 [0,2,0,0,0,0|2,0,0]=4 10575 B12R0.239 CCCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000745993 [0,2,0,0,0,0|2,0,0]=4 10576 B12R0.239 CCCOCC(=O)N[C@H](C)COC 11a_100000764878_100000745993 [0,2,0,0,0,0|2,0,0]=4 10577 B12R0.239 CCCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000745993 [0,2,0,0,0,0|2,0,0]=4 10578 B12R0.239 CCCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000745993 [0,2,0,0,0,0|2,0,0]=4 10579 B12R0.239 CCCOCC(=O)N[C@H](C)COC 527a_100000764878_100000745993 [0,2,0,0,0,0|2,0,0]=4 10580 B12R0.239 CCCS(=O)CC(=O)CCCCF 1458a_100011387404_100000729493 [0,2,0,0,0,0|1,1,0]=4 10581 B12R0.239 CCCS(=O)CC(=O)CCCCO 1458a_100011387404_100000210776 [0,2,0,0,0,0|1,1,0]=4 10582 B12R0.239 CCCS(=O)CC(=O)CCCOC 1458a_100011387404_100000740836 [0,2,0,0,0,0|1,1,0]=4 10583 B12R0.239 CCCS(=O)CC(=O)CCOCC 1458a_100011387404_100011215890 [0,2,0,0,0,0|1,1,0]=4 10584 B12R0.239 CCCS(=O)CC(=O)CCSCC 1458a_100011387404_100000757381 [0,2,0,0,0,0|1,1,0]=4 10585 B12R0.239 CCCS(=O)CC(=O)NCCCF 11a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 10586 B12R0.239 CCCS(=O)CC(=O)NCCCF 1626a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 10587 B12R0.239 CCCS(=O)CC(=O)NCCCF 240690a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 10588 B12R0.239 CCCS(=O)CC(=O)NCCCF 527a_100015189416_100011387404 [0,2,0,0,0,0|2,0,0]=4 10589 B12R0.239 CCCS(=O)CC(=O)NCCCO 240690a_100000182051_100011387404 [0,2,0,0,0,0|2,0,0]=4 10590 B12R0.239 CCCS(=O)CC(=O)NCCCO 527a_100000182051_100011387404 [0,2,0,0,0,0|2,0,0]=4 10591 B12R0.239 CCCS(=O)CC(=O)NCCOC 1626a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 10592 B12R0.239 CCCS(=O)CC(=O)NCCOC 240690a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 10593 B12R0.239 CCCS(=O)CC(=O)NCCOC 527a_100000209980_100011387404 [0,2,0,0,0,0|2,0,0]=4 10594 B12R0.239 CCCS(=O)CC(=O)NCCSC 11a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 10595 B12R0.239 CCCS(=O)CC(=O)NCCSC 1626a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 10596 B12R0.239 CCCS(=O)CC(=O)NCCSC 240690a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 10597 B12R0.239 CCCS(=O)CC(=O)NCCSC 527a_100020590264_100011387404 [0,2,0,0,0,0|2,0,0]=4 10598 B12R0.239 CCCSCC(=O)CC(=O)CCC 1458a_100000217233_100000747444 [0,2,0,0,0,0|0,1,1]=4 10599 B12R0.239 CCCSCC(=O)CC(C)CCC 1458a_100000217233_100011216630 [0,2,0,0,0,0|0,1,0]=3 10600 B12R0.239 CCCSCC(=O)NC(C)CCC 11a_100000741246_100000217233 [0,2,0,0,0,0|1,1,0]=4 10601 B12R0.239 CCCSCC(=O)NC(C)CCC 1626a_100000741246_100000217233 [0,2,0,0,0,0|1,1,0]=4 10602 B12R0.239 CCCSCC(=O)NC(C)CCC 240690a_100000741246_100000217233 [0,2,0,0,0,0|1,1,0]=4 10603 B12R0.239 CCCSCC(=O)NC(C)CCC 527a_100000741246_100000217233 [0,2,0,0,0,0|1,1,0]=4 10604 B12R0.239 CCCSCC(=O)N[C@H](C)CCO 240690a_100000706166_100000217233 [0,2,0,0,0,0|2,0,0]=4 10605 B12R0.239 CCCSCC(=O)N[C@H](C)CCO 527a_100000706166_100000217233 [0,2,0,0,0,0|2,0,0]=4 10606 B12R0.239 CCCSCC(=O)N[C@H](C)COC 11a_100000764878_100000217233 [0,2,0,0,0,0|2,0,0]=4 10607 B12R0.239 CCCSCC(=O)N[C@H](C)COC 1626a_100000764878_100000217233 [0,2,0,0,0,0|2,0,0]=4 10608 B12R0.239 CCCSCC(=O)N[C@H](C)COC 240690a_100000764878_100000217233 [0,2,0,0,0,0|2,0,0]=4 10609 B12R0.239 CCCSCC(=O)N[C@H](C)COC 527a_100000764878_100000217233 [0,2,0,0,0,0|2,0,0]=4 10610 B12R0.239 CCOCCC(=O)CC(C)SCC 1458a_200011311441_100011215890 [0,2,0,0,0,0|2,0,0]=4 10611 B12R0.239 CCOCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000749530 [0,2,0,0,0,0|2,0,0]=4 10612 B12R0.239 CCOCCC(=O)N[C@H](C)CCO 527a_100000706166_100000749530 [0,2,0,0,0,0|2,0,0]=4 10613 B12R0.239 CCOCCC(=O)N[C@H](C)COC 11a_100000764878_100000749530 [0,2,0,0,0,0|2,0,0]=4 10614 B12R0.239 CCOCCC(=O)N[C@H](C)COC 1626a_100000764878_100000749530 [0,2,0,0,0,0|2,0,0]=4 10615 B12R0.239 CCOCCC(=O)N[C@H](C)COC 240690a_100000764878_100000749530 [0,2,0,0,0,0|2,0,0]=4 10616 B12R0.239 CCOCCC(=O)N[C@H](C)COC 527a_100000764878_100000749530 [0,2,0,0,0,0|2,0,0]=4 10617 B12R0.239 CCSC(C)CC(=O)CCCCF 1458a_200011311441_100000729493 [0,2,0,0,0,0|2,0,0]=4 10618 B12R0.239 CCSC(C)CC(=O)CCCCO 1458a_200011311441_100000210776 [0,2,0,0,0,0|2,0,0]=4 10619 B12R0.239 CCSC(C)CC(=O)CCCOC 1458a_200011311441_100000740836 [0,2,0,0,0,0|2,0,0]=4 10620 B12R0.239 CCSC(C)CC(=O)NCCCF 11a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 10621 B12R0.239 CCSC(C)CC(=O)NCCCF 1626a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 10622 B12R0.239 CCSC(C)CC(=O)NCCCF 240690a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 10623 B12R0.239 CCSC(C)CC(=O)NCCCF 527a_100015189416_200011311441 [0,2,0,0,0,0|2,0,0]=4 10624 B12R0.239 CCSC(C)CC(=O)NCCCO 240690a_100000182051_200011311441 [0,2,0,0,0,0|2,0,0]=4 10625 B12R0.239 CCSC(C)CC(=O)NCCCO 527a_100000182051_200011311441 [0,2,0,0,0,0|2,0,0]=4 10626 B12R0.239 CCSC(C)CC(=O)NCCOC 1626a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 10627 B12R0.239 CCSC(C)CC(=O)NCCOC 240690a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 10628 B12R0.239 CCSC(C)CC(=O)NCCOC 527a_100000209980_200011311441 [0,2,0,0,0,0|2,0,0]=4 10629 B12R0.239 CCSC(C)CC(=O)NCCSC 11a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 10630 B12R0.239 CCSC(C)CC(=O)NCCSC 1626a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 10631 B12R0.239 CCSC(C)CC(=O)NCCSC 240690a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 10632 B12R0.239 CCSC(C)CC(=O)NCCSC 527a_100020590264_200011311441 [0,2,0,0,0,0|2,0,0]=4 10633 B12R0.239 CCSCCC(=O)CC(C)SCC 1458a_200011311441_100000757381 [0,2,0,0,0,0|2,0,0]=4 10634 B12R0.239 CCSCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000230768 [0,2,0,0,0,0|2,0,0]=4 10635 B12R0.239 CCSCCC(=O)N[C@H](C)CCO 527a_100000706166_100000230768 [0,2,0,0,0,0|2,0,0]=4 10636 B12R0.239 CCSCCC(=O)N[C@H](C)COC 11a_100000764878_100000230768 [0,2,0,0,0,0|2,0,0]=4 10637 B12R0.239 CCSCCC(=O)N[C@H](C)COC 1626a_100000764878_100000230768 [0,2,0,0,0,0|2,0,0]=4 10638 B12R0.239 CCSCCC(=O)N[C@H](C)COC 240690a_100000764878_100000230768 [0,2,0,0,0,0|2,0,0]=4 10639 B12R0.239 CCSCCC(=O)N[C@H](C)COC 527a_100000764878_100000230768 [0,2,0,0,0,0|2,0,0]=4 10640 B12R0.239 COCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000741012 [0,2,0,0,0,0|2,0,0]=4 10641 B12R0.239 COCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000741012 [0,2,0,0,0,0|2,0,0]=4 10642 B12R0.239 COCCCC(=O)N[C@H](C)COC 11a_100000764878_100000741012 [0,2,0,0,0,0|2,0,0]=4 10643 B12R0.239 COCCCC(=O)N[C@H](C)COC 1626a_100000764878_100000741012 [0,2,0,0,0,0|2,0,0]=4 10644 B12R0.239 COCCCC(=O)N[C@H](C)COC 240690a_100000764878_100000741012 [0,2,0,0,0,0|2,0,0]=4 10645 B12R0.239 COCCCC(=O)N[C@H](C)COC 527a_100000764878_100000741012 [0,2,0,0,0,0|2,0,0]=4 10646 B12R0.239 COCCOC(=O)CC(=O)CCO 1458a_100011216618_200000040189 [0,2,0,0,0,0|1,0,1]=4 10647 B12R0.239 COCCOC(=O)CC(=O)COC 1458a_100000210968_200000040189 [0,2,0,0,0,0|1,0,1]=4 10648 B12R0.239 COCCOC(=O)CC(=O)CSC 1458a_100000184570_200000040189 [0,2,0,0,0,0|1,0,1]=4 10649 B12R0.239 COCCOC(=O)CN(C)CCO 2230a_100000210263_200000040189 [0,2,0,0,0,0|2,0,0]=4 10650 B12R0.239 COCCOC(=O)CN(C)CCO 269982a_100000210263_200000040189 [0,2,0,0,0,0|2,0,0]=4 10651 B12R0.239 COC[C@@H](C)NC(=O)CCCCO 1626a_100000764878_100000695505 [0,2,0,0,0,0|2,0,0]=4 10652 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 11a_100000764878_100000173376 [0,2,0,0,0,0|2,0,0]=4 10653 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 1626a_100000764878_100000173376 [0,2,0,0,0,0|2,0,0]=4 10654 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 240690a_100000764878_100000173376 [0,2,0,0,0,0|2,0,0]=4 10655 B12R0.239 COC[C@@H](C)NC(=O)CCCSC 527a_100000764878_100000173376 [0,2,0,0,0,0|2,0,0]=4 10656 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000173376 [0,2,0,0,0,0|2,0,0]=4 10657 B12R0.239 CSCCCC(=O)N[C@H](C)CCO 527a_100000706166_100000173376 [0,2,0,0,0,0|2,0,0]=4 10658 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_100000748435_100000730704 [0,2,0,0,0,0|1,0,1]=4 10659 B12R0.283 C=C(C)CCC(=O)CC(C)CCC 1458a_200000688413_100011216630 [0,2,0,0,0,0|1,0,1]=4 10660 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 11a_100000765925_100000748435 [0,2,0,0,0,0|1,0,1]=4 10661 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 1626a_100000765925_100000748435 [0,2,0,0,0,0|1,0,1]=4 10662 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 240690a_100000765925_100000748435 [0,2,0,0,0,0|1,0,1]=4 10663 B12R0.283 C=C(C)CNC(=O)CC(C)CCC 527a_100000765925_100000748435 [0,2,0,0,0,0|1,0,1]=4 10664 B12R0.283 C=C(CCC)CC(=O)CCC(C)C 1458a_100000138376_100000210312 [0,2,0,0,0,0|1,0,1]=4 10665 B12R0.283 C=C(CCC)CC(=O)CCC(C)O 1458a_100000138376_100012276601 [0,2,0,0,0,0|1,0,1]=4 10666 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 11a_100000210953_100000138376 [0,2,0,0,0,0|1,0,1]=4 10667 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 240690a_100000210953_100000138376 [0,2,0,0,0,0|1,0,1]=4 10668 B12R0.283 C=C(CCC)CC(=O)NCC(C)C 527a_100000210953_100000138376 [0,2,0,0,0,0|1,0,1]=4 10669 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 11a_100000210904_100000138376 [0,2,0,0,0,0|1,0,1]=4 10670 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 240690a_100000210904_100000138376 [0,2,0,0,0,0|1,0,1]=4 10671 B12R0.283 C=C(CCC)CC(=O)NCC(C)O 527a_100000210904_100000138376 [0,2,0,0,0,0|1,0,1]=4 10672 B12R0.283 CCCC(=O)CC(=O)CCC(C)C 1458a_100000181311_100000747444 [0,2,0,0,0,0|1,0,1]=4 10673 B12R0.283 CCCC(=O)CC(=O)NCC(C)C 1458a_100000211992_100000183291 [0,2,0,0,0,0|1,0,1]=4 10674 B12R0.283 CCCC(C)CC(=O)C=CC(C)C 1458a_100016268746_100011216630 [0,2,0,0,0,0|1,0,1]=4 10675 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000181311_100011216630 [0,2,0,0,0,0|1,0,0]=3 10676 B12R0.283 CCCC(C)CC(=O)CCC(C)C 1458a_100000748435_100000210312 [0,2,0,0,0,0|1,0,0]=3 10677 B12R0.283 CCCC(C)CC(=O)CCC(C)O 1458a_100000748435_100012276601 [0,2,0,0,0,0|1,0,0]=3 10678 B12R0.283 CCCC(C)CC(=O)CC[S+](C)C 1458a_100009452791_100011216630 [0,2,0,0,0,0|2,0,0]=4 10679 B12R0.283 CCCC(C)CC(=O)COC(C)C 1458a_100000745533_100011216630 [0,2,0,0,0,0|2,0,0]=4 10680 B12R0.283 CCCC(C)CC(=O)CSC(C)C 1458a_100000241585_100011216630 [0,2,0,0,0,0|2,0,0]=4 10681 B12R0.283 CCCC(C)CC(=O)NCC(C)C 11a_100000210953_100000748435 [0,2,0,0,0,0|1,0,0]=3 10682 B12R0.283 CCCC(C)CC(=O)NCC(C)C 1626a_100000210953_100000748435 [0,2,0,0,0,0|1,0,0]=3 10683 B12R0.283 CCCC(C)CC(=O)NCC(C)C 240690a_100000210953_100000748435 [0,2,0,0,0,0|1,0,0]=3 10684 B12R0.283 CCCC(C)CC(=O)NCC(C)C 527a_100000210953_100000748435 [0,2,0,0,0,0|1,0,0]=3 10685 B12R0.283 CCCC(C)CC(=O)NCC(C)O 11a_100000210904_100000748435 [0,2,0,0,0,0|1,0,0]=3 10686 B12R0.283 CCCC(C)CC(=O)NCC(C)O 240690a_100000210904_100000748435 [0,2,0,0,0,0|1,0,0]=3 10687 B12R0.283 CCCC(C)CC(=O)NCC(C)O 527a_100000210904_100000748435 [0,2,0,0,0,0|1,0,0]=3 10688 B12R0.283 CCCC(C)CC(=O)NCC(F)F 11a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 10689 B12R0.283 CCCC(C)CC(=O)NCC(F)F 1626a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 10690 B12R0.283 CCCC(C)CC(=O)NCC(F)F 240690a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 10691 B12R0.283 CCCC(C)CC(=O)NCC(F)F 527a_100000765723_100000748435 [0,2,0,0,0,0|2,0,0]=4 10692 B12R0.283 CCCC(C)CC(=O)NNC(C)C 22a_100000741168_100000748435 [0,2,0,0,0,0|2,0,0]=4 10693 B12R0.283 CCCC(C)NC(=O)CCC(C)C 11a_100000741246_100000181311 [0,2,0,0,0,0|2,0,0]=4 10694 B12R0.283 CCCC(C)NC(=O)CCC(C)C 1626a_100000741246_100000181311 [0,2,0,0,0,0|2,0,0]=4 10695 B12R0.283 CCCC(C)NC(=O)CCC(C)C 240690a_100000741246_100000181311 [0,2,0,0,0,0|2,0,0]=4 10696 B12R0.283 CCCC(C)NC(=O)CCC(C)C 527a_100000741246_100000181311 [0,2,0,0,0,0|2,0,0]=4 10697 B12R0.283 CCCC(C)NC(=O)CCC(C)O 1626a_100000741246_100000718519 [0,2,0,0,0,0|2,0,0]=4 10698 B12R0.283 CCCC(C)NC(=O)NCC(C)C 2708a_100000210953_100000741246 [0,2,0,0,0,0|2,0,0]=4 10699 B12R0.283 CCCC(C)NC(=O)NCC(C)C 2708a_100000741246_100000210953 [0,2,0,0,0,0|2,0,0]=4 10700 B12R0.283 CCCC(C)NC(=O)NCC(C)C 273464a_100000741246_100000210953 [0,2,0,0,0,0|2,0,0]=4 10701 B12R0.283 CCCC(C)NC(=O)NCC(C)C 512a_100000210953_100000741246 [0,2,0,0,0,0|2,0,0]=4 10702 B12R0.283 CCCC(C)NC(=O)NCC(C)C 512a_100000741246_100000210953 [0,2,0,0,0,0|2,0,0]=4 10703 B12R0.283 CCCC(C)NC(=O)NCC(C)O 2708a_100000741246_100000210904 [0,2,0,0,0,0|2,0,0]=4 10704 B12R0.283 CCCC(C)NC(=O)NCC(C)O 273464a_100000741246_100000210904 [0,2,0,0,0,0|2,0,0]=4 10705 B12R0.283 CCCC(C)NC(=O)NCC(C)O 512a_100000210904_100000741246 [0,2,0,0,0,0|2,0,0]=4 10706 B12R0.283 CCCC(C)NC(=O)NCC(C)O 512a_100000741246_100000210904 [0,2,0,0,0,0|2,0,0]=4 10707 B12R0.283 CCCN(C)CC(=O)NCC(C)C 2230a_100000747261_100000183291 [0,2,0,0,0,0|2,0,0]=4 10708 B12R0.283 CCCN(C)CC(=O)NCC(C)C 269982a_100000747261_100000183291 [0,2,0,0,0,0|2,0,0]=4 10709 B12R0.283 CCCS(=O)CC(=O)CCC(C)C 1458a_100011387404_100000210312 [0,2,0,0,0,0|2,0,0]=4 10710 B12R0.283 CCCS(=O)CC(=O)CCC(C)O 1458a_100011387404_100012276601 [0,2,0,0,0,0|2,0,0]=4 10711 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 11a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 10712 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 1626a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 10713 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 240690a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 10714 B12R0.283 CCCS(=O)CC(=O)NCC(C)C 527a_100000210953_100011387404 [0,2,0,0,0,0|2,0,0]=4 10715 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 11a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 10716 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 240690a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 10717 B12R0.283 CCCS(=O)CC(=O)NCC(C)O 527a_100000210904_100011387404 [0,2,0,0,0,0|2,0,0]=4 10718 B12R0.283 CCSC(C)CC(=O)CCC(C)C 1458a_200011311441_100000210312 [0,2,0,0,0,0|2,0,0]=4 10719 B12R0.283 CCSC(C)CC(=O)CCC(C)O 1458a_200011311441_100012276601 [0,2,0,0,0,0|2,0,0]=4 10720 B12R0.283 CCSC(C)CC(=O)NCC(C)C 11a_100000210953_200011311441 [0,2,0,0,0,0|2,0,0]=4 10721 B12R0.283 CCSC(C)CC(=O)NCC(C)C 1626a_100000210953_200011311441 [0,2,0,0,0,0|2,0,0]=4 10722 B12R0.283 CCSC(C)CC(=O)NCC(C)C 240690a_100000210953_200011311441 [0,2,0,0,0,0|2,0,0]=4 10723 B12R0.283 CCSC(C)CC(=O)NCC(C)C 527a_100000210953_200011311441 [0,2,0,0,0,0|2,0,0]=4 10724 B12R0.283 CCSC(C)CC(=O)NCC(C)O 11a_100000210904_200011311441 [0,2,0,0,0,0|2,0,0]=4 10725 B12R0.283 CCSC(C)CC(=O)NCC(C)O 240690a_100000210904_200011311441 [0,2,0,0,0,0|2,0,0]=4 10726 B12R0.283 CCSC(C)CC(=O)NCC(C)O 527a_100000210904_200011311441 [0,2,0,0,0,0|2,0,0]=4 10727 B12R0.353 CC/C=C(\C)/C(=O)C(C)CCCC 1458a_100016988807_200011215066 [0,2,0,0,0,0|1,0,1]=4 10728 B12R0.353 CCCC(C)C(=O)C(O)CCSC 1458a_100000685904_100000766640 [0,2,0,0,0,0|2,0,0]=4 10729 B12R0.353 CCCCC(C)C(=O)C(=O)NCC 1458a_200011297158_200011215066 [0,2,0,0,0,0|2,0,0]=4 10730 B12R0.353 CCCCC(C)C(=O)C(C)CCC 1458a_100000210906_200011215066 [0,2,0,0,0,0|1,0,0]=3 10731 B12R0.353 CCCCC(C)C(=O)C(C)CCC 1458a_100000725509_100000766640 [0,2,0,0,0,0|1,0,0]=3 10732 B12R0.353 CCCCC(C)C(=O)C(C)CCO 1458a_100000725509_100009893172 [0,2,0,0,0,0|2,0,0]=4 10733 B12R0.353 CCCCC(C)C(=O)C(C)COC 1458a_100000725509_100000765312 [0,2,0,0,0,0|2,0,0]=4 10734 B12R0.353 CCCCC(C)C(=O)C(C)COC 1458a_100000751857_200011215066 [0,2,0,0,0,0|2,0,0]=4 10735 B12R0.353 CCCCC(C)C(=O)C(C)CSC 1458a_100000753918_200011215066 [0,2,0,0,0,0|2,0,0]=4 10736 B12R0.353 CCCCC(C)C(=O)C(C)OCC 1458a_100000739345_200011215066 [0,2,0,0,0,0|2,0,0]=4 10737 B12R0.353 CCCCC(C)C(=O)C(C)SCC 1458a_100000230601_200011215066 [0,2,0,0,0,0|2,0,0]=4 10738 B12R0.353 CCCCC(C)C(=O)N(C)CCC 11a_100000747261_100000725509 [0,2,0,0,0,0|1,0,0]=3 10739 B12R0.353 CCCCC(C)C(=O)N(C)CCC 1626a_100000747261_100000725509 [0,2,0,0,0,0|1,0,0]=3 10740 B12R0.353 CCCCC(C)C(=O)N(C)CCC 240690a_100000747261_100000725509 [0,2,0,0,0,0|1,0,0]=3 10741 B12R0.353 CCCCC(C)C(=O)N(C)CCC 527a_100000747261_100000725509 [0,2,0,0,0,0|1,0,0]=3 10742 B12R0.353 CCCCC(C)C(=O)N(C)CCO 240690a_100000210263_100000725509 [0,2,0,0,0,0|2,0,0]=4 10743 B12R0.353 CCCCC(C)C(=O)N(C)CCO 527a_100000210263_100000725509 [0,2,0,0,0,0|2,0,0]=4 10744 B12R0.353 CCCCC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_200011215066 [0,2,0,0,0,0|1,0,0]=3 10745 B12R0.353 CCCCC(O)C(=O)C(C)CCC 1458a_100000720857_100000766640 [0,2,0,0,0,0|1,0,0]=3 10746 B12R0.353 CCCCC(O)C(=O)C(C)CCO 1458a_100000720857_100009893172 [0,2,0,0,0,0|2,0,0]=4 10747 B12R0.353 CCCCC(O)C(=O)C(C)COC 1458a_100000720857_100000765312 [0,2,0,0,0,0|2,0,0]=4 10748 B12R0.353 CCCCC(O)C(=O)N(C)CCC 240690a_100000747261_100000720857 [0,2,0,0,0,0|1,0,0]=3 10749 B12R0.353 CCCCC(O)C(=O)N(C)CCC 527a_100000747261_100000720857 [0,2,0,0,0,0|1,0,0]=3 10750 B12R0.353 CCCCC(O)C(=O)N(C)CCO 240690a_100000210263_100000720857 [0,2,0,0,0,0|2,0,0]=4 10751 B12R0.353 CCCCC(O)C(=O)N(C)CCO 527a_100000210263_100000720857 [0,2,0,0,0,0|2,0,0]=4 10752 B12R0.353 CCCCN(C)C(=O)C(C)CCC 11a_100000207549_100000210906 [0,2,0,0,0,0|2,0,0]=4 10753 B12R0.353 CCCCN(C)C(=O)C(C)CCC 1626a_100000207549_100000210906 [0,2,0,0,0,0|2,0,0]=4 10754 B12R0.353 CCCCN(C)C(=O)C(C)CCC 240690a_100000207549_100000210906 [0,2,0,0,0,0|2,0,0]=4 10755 B12R0.353 CCCCN(C)C(=O)C(C)CCC 527a_100000207549_100000210906 [0,2,0,0,0,0|2,0,0]=4 10756 B12R0.353 CCCCN(C)C(=O)[C@@H](O)CCC 240690a_100000207549_100009822183 [0,2,0,0,0,0|2,0,0]=4 10757 B12R0.353 CCCN(C)C(=O)C(O)CCSC 240690a_100000747261_100000685904 [0,2,0,0,0,0|2,0,0]=4 10758 B12R0.353 CCCNC(=O)C(=O)C(C)CCC 1458a_200011297150_100000766640 [0,2,0,0,0,0|1,0,1]=4 10759 B12R0.353 CCCNC(=O)C(C)C(=O)CCC 1458a_100000211992_100000230305 [0,2,0,0,0,0|1,0,1]=4 10760 B12R0.353 CCCNC(=O)C(C)N(C)CCC 2230a_100000747261_100000230305 [0,2,0,0,0,0|2,0,0]=4 10761 B12R0.353 CCCNC(=O)C(C)N(C)CCC 269982a_100000747261_100000230305 [0,2,0,0,0,0|2,0,0]=4 10762 B12R0.353 CCCOC(=O)C(C)C(=O)CCC 1458a_100000211992_100000760410 [0,2,0,0,0,0|0,0,1]=3 10763 B12R0.353 CCCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100000760410 [0,2,0,0,0,0|1,0,1]=4 10764 B12R0.353 CCCOC(=O)C(C)C(=O)COC 1458a_100000210968_100000760410 [0,2,0,0,0,0|1,0,1]=4 10765 B12R0.353 CCCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100000760410 [0,2,0,0,0,0|1,0,1]=4 10766 B12R0.353 CCCOC(=O)C(C)N(C)CCC 2230a_100000747261_100000760410 [0,2,0,0,0,0|1,0,0]=3 10767 B12R0.353 CCCOC(=O)C(C)N(C)CCC 269982a_100000747261_100000760410 [0,2,0,0,0,0|1,0,0]=3 10768 B12R0.353 CCCOC(=O)C(C)N(C)CCO 2230a_100000210263_100000760410 [0,2,0,0,0,0|2,0,0]=4 10769 B12R0.353 CCCOC(=O)C(C)N(C)CCO 269982a_100000210263_100000760410 [0,2,0,0,0,0|2,0,0]=4 10770 B12R0.453 CCCC(C)(O)CC(=O)CCCF 1458a_100011667670_100011934791 [0,2,0,0,0,0|2,0,0]=4 10771 B12R0.453 CCCC(C)(O)CC(=O)CCCO 1458a_100011667670_100011215043 [0,2,0,0,0,0|2,0,0]=4 10772 B12R0.453 CCCC(C)(O)CC(=O)CCOC 1458a_100011667670_100000233755 [0,2,0,0,0,0|2,0,0]=4 10773 B12R0.453 CCCC(C)(O)CC(=O)CCSC 1458a_100011667670_100000751147 [0,2,0,0,0,0|2,0,0]=4 10774 B12R0.453 CCCC(C)(O)CC(=O)NCCF 240690a_100000724931_100011667670 [0,2,0,0,0,0|2,0,0]=4 10775 B12R0.453 CCCC(C)(O)CC(=O)NCCF 527a_100000724931_100011667670 [0,2,0,0,0,0|2,0,0]=4 10776 B12R0.453 CCCC(C)(O)CC(=O)NCCO 240690a_100000210304_100011667670 [0,2,0,0,0,0|2,0,0]=4 10777 B12R0.453 CCCC(C)(O)CC(=O)NCCO 527a_100000210304_100011667670 [0,2,0,0,0,0|2,0,0]=4 10778 B12R0.453 CCCC(C)(O)CC(=O)NNCC 22a_100000756455_100011667670 [0,2,0,0,0,0|2,0,0]=4 10779 B12R0.453 CCCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210211 [0,2,0,0,0,0|1,0,0]=3 10780 B12R0.453 CCCNC(=O)CC(C)(O)CCC 240690a_100020643023_100011667670 [0,2,0,0,0,0|1,0,0]=3 10781 B12R0.453 CCCNC(=O)CC(C)(O)CCC 527a_100020643023_100011667670 [0,2,0,0,0,0|1,0,0]=3 10782 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_100000725509_100000730704 [0,2,0,0,0,0|1,0,1]=4 10783 B12R0.98 C=C(C)CCC(=O)C(C)CCCC 1458a_200000688413_200011215066 [0,2,0,0,0,0|1,0,1]=4 10784 B12R0.98 C=C(C)CCC(=O)C(O)CCCC 1458a_100000720857_100000730704 [0,2,0,0,0,0|1,0,1]=4 10785 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 11a_100000765925_100000725509 [0,2,0,0,0,0|1,0,1]=4 10786 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 1626a_100000765925_100000725509 [0,2,0,0,0,0|1,0,1]=4 10787 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 240690a_100000765925_100000725509 [0,2,0,0,0,0|1,0,1]=4 10788 B12R0.98 C=C(C)CNC(=O)C(C)CCCC 527a_100000765925_100000725509 [0,2,0,0,0,0|1,0,1]=4 10789 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 240690a_100000765925_100000720857 [0,2,0,0,0,0|1,0,1]=4 10790 B12R0.98 C=C(C)CNC(=O)C(O)CCCC 527a_100000765925_100000720857 [0,2,0,0,0,0|1,0,1]=4 10791 B12R0.98 C=C(C)COC(C)C(=O)OCCC 34a_100000037348_100000748629 [0,2,0,0,0,0|1,0,1]=4 10792 B12R0.98 C=C(C)COC(C)C(=O)OCCC 34a_100000210245_100000760410 [0,2,0,0,0,0|1,0,1]=4 10793 B12R0.98 C=C(C)COC(C)C(=O)OCCC 7a_100000037348_100000748629 [0,2,0,0,0,0|1,0,1]=4 10794 B12R0.98 C=C(C)CSC(C)C(=O)OCCC 62a_100000748629_100000760410 [0,2,0,0,0,0|1,0,1]=4 10795 B12R0.98 C=C(C)CSC(C)C(=O)OCCC 62a_100000760410_100000211660 [0,2,0,0,0,0|1,0,1]=4 10796 B12R0.98 CCC#CC(=O)C(C)CCC(C)C 1458a_100011827653_100011261404 [0,2,0,0,0,0|1,0,1]=4 10797 B12R0.98 CCC=CC(=O)C(C)CCC(C)C 1458a_100000212282_100011261404 [0,2,0,0,0,0|1,0,1]=4 10798 B12R0.98 CCCCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210211 [0,2,0,0,0,0|1,0,1]=4 10799 B12R0.98 CCCCC(=O)C(C)CCC(C)C 1458a_100000210183_100011261404 [0,2,0,0,0,0|1,0,0]=3 10800 B12R0.98 CCCCC(=O)N(C)CCC(C)C 11a_100000742789_100000210183 [0,2,0,0,0,0|2,0,0]=4 10801 B12R0.98 CCCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210183 [0,2,0,0,0,0|2,0,0]=4 10802 B12R0.98 CCCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210183 [0,2,0,0,0,0|2,0,0]=4 10803 B12R0.98 CCCCC(=O)N(C)CCC(C)C 527a_100000742789_100000210183 [0,2,0,0,0,0|2,0,0]=4 10804 B12R0.98 CCCCC(C)C(=O)C=CC(C)C 1458a_100016268746_200011215066 [0,2,0,0,0,0|1,0,1]=4 10805 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000181311_200011215066 [0,2,0,0,0,0|1,0,0]=3 10806 B12R0.98 CCCCC(C)C(=O)CCC(C)C 1458a_100000725509_100000210312 [0,2,0,0,0,0|1,0,0]=3 10807 B12R0.98 CCCCC(C)C(=O)CCC(C)O 1458a_100000725509_100012276601 [0,2,0,0,0,0|1,0,0]=3 10808 B12R0.98 CCCCC(C)C(=O)CC[S+](C)C 1458a_100009452791_200011215066 [0,2,0,0,0,0|2,0,0]=4 10809 B12R0.98 CCCCC(C)C(=O)COC(C)C 1458a_100000745533_200011215066 [0,2,0,0,0,0|2,0,0]=4 10810 B12R0.98 CCCCC(C)C(=O)CSC(C)C 1458a_100000241585_200011215066 [0,2,0,0,0,0|2,0,0]=4 10811 B12R0.98 CCCCC(C)C(=O)NCC(C)C 11a_100000210953_100000725509 [0,2,0,0,0,0|1,0,0]=3 10812 B12R0.98 CCCCC(C)C(=O)NCC(C)C 1626a_100000210953_100000725509 [0,2,0,0,0,0|1,0,0]=3 10813 B12R0.98 CCCCC(C)C(=O)NCC(C)C 240690a_100000210953_100000725509 [0,2,0,0,0,0|1,0,0]=3 10814 B12R0.98 CCCCC(C)C(=O)NCC(C)C 527a_100000210953_100000725509 [0,2,0,0,0,0|1,0,0]=3 10815 B12R0.98 CCCCC(C)C(=O)NCC(C)O 11a_100000210904_100000725509 [0,2,0,0,0,0|1,0,0]=3 10816 B12R0.98 CCCCC(C)C(=O)NCC(C)O 240690a_100000210904_100000725509 [0,2,0,0,0,0|1,0,0]=3 10817 B12R0.98 CCCCC(C)C(=O)NCC(C)O 527a_100000210904_100000725509 [0,2,0,0,0,0|1,0,0]=3 10818 B12R0.98 CCCCC(C)C(=O)NCC(F)F 11a_100000765723_100000725509 [0,2,0,0,0,0|2,0,0]=4 10819 B12R0.98 CCCCC(C)C(=O)NCC(F)F 1626a_100000765723_100000725509 [0,2,0,0,0,0|2,0,0]=4 10820 B12R0.98 CCCCC(C)C(=O)NCC(F)F 240690a_100000765723_100000725509 [0,2,0,0,0,0|2,0,0]=4 10821 B12R0.98 CCCCC(C)C(=O)NCC(F)F 527a_100000765723_100000725509 [0,2,0,0,0,0|2,0,0]=4 10822 B12R0.98 CCCCC(C)C(=O)NNC(C)C 22a_100000741168_100000725509 [0,2,0,0,0,0|2,0,0]=4 10823 B12R0.98 CCCCC(O)C(=O)CCC(C)C 1458a_100000720857_100000210312 [0,2,0,0,0,0|1,0,0]=3 10824 B12R0.98 CCCCC(O)C(=O)CCC(C)O 1458a_100000720857_100012276601 [0,2,0,0,0,0|1,0,0]=3 10825 B12R0.98 CCCCC(O)C(=O)NCC(C)C 240690a_100000210953_100000720857 [0,2,0,0,0,0|1,0,0]=3 10826 B12R0.98 CCCCC(O)C(=O)NCC(C)C 527a_100000210953_100000720857 [0,2,0,0,0,0|1,0,0]=3 10827 B12R0.98 CCCCC(O)C(=O)NCC(C)O 240690a_100000210904_100000720857 [0,2,0,0,0,0|1,0,0]=3 10828 B12R0.98 CCCCC(O)C(=O)NCC(C)O 527a_100000210904_100000720857 [0,2,0,0,0,0|1,0,0]=3 10829 B12R0.98 CCCCC(O)C(=O)NCC(F)F 240690a_100000765723_100000720857 [0,2,0,0,0,0|2,0,0]=4 10830 B12R0.98 CCCCC(O)C(=O)NCC(F)F 527a_100000765723_100000720857 [0,2,0,0,0,0|2,0,0]=4 10831 B12R0.98 CCCCC(O)C(=O)NNC(C)C 22a_100000741168_100000720857 [0,2,0,0,0,0|2,0,0]=4 10832 B12R0.98 CCCCN(C)C(=O)CCC(C)C 11a_100000207549_100000181311 [0,2,0,0,0,0|2,0,0]=4 10833 B12R0.98 CCCCN(C)C(=O)CCC(C)C 1626a_100000207549_100000181311 [0,2,0,0,0,0|2,0,0]=4 10834 B12R0.98 CCCCN(C)C(=O)CCC(C)C 240690a_100000207549_100000181311 [0,2,0,0,0,0|2,0,0]=4 10835 B12R0.98 CCCCN(C)C(=O)CCC(C)C 527a_100000207549_100000181311 [0,2,0,0,0,0|2,0,0]=4 10836 B12R0.98 CCCCN(C)C(=O)CCC(C)O 1626a_100000207549_100000718519 [0,2,0,0,0,0|2,0,0]=4 10837 B12R0.98 CCCCN(C)C(=O)NCC(C)C 2708a_100000210953_100000207549 [0,2,0,0,0,0|2,0,0]=4 10838 B12R0.98 CCCCN(C)C(=O)NCC(C)C 273464a_100000210953_100000207549 [0,2,0,0,0,0|2,0,0]=4 10839 B12R0.98 CCCCN(C)C(=O)NCC(C)O 273464a_100000210904_100000207549 [0,2,0,0,0,0|2,0,0]=4 10840 B12R0.98 CCCNC(=O)C(=O)CCC(C)C 1458a_200011297150_100000210312 [0,2,0,0,0,0|1,0,1]=4 10841 B12R0.98 CCCNC(=O)C(=O)CCC(C)O 1458a_200011297150_100012276601 [0,2,0,0,0,0|1,0,1]=4 10842 B12R0.98 CCCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230305 [0,2,0,0,0,0|2,0,0]=4 10843 B12R0.98 CCCNC(=O)C(C)NCC(C)C 2230a_100025744714_100000210760 [0,2,0,0,0,0|2,0,0]=4 10844 B12R0.98 CCCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230305 [0,2,0,0,0,0|2,0,0]=4 10845 B12R0.98 CCCNC(=O)C(C)NCC(C)C 34a_100025744714_100000210624 [0,2,0,0,0,0|2,0,0]=4 10846 B12R0.98 CCCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230305 [0,2,0,0,0,0|2,0,0]=4 10847 B12R0.98 CCCNC(=O)C(C)NCC(C)O 2230a_100025744714_100011218427 [0,2,0,0,0,0|2,0,0]=4 10848 B12R0.98 CCCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230305 [0,2,0,0,0,0|2,0,0]=4 10849 B12R0.98 CCCNC(=O)C(C)NCC(C)O 34a_100025744714_100011218427 [0,2,0,0,0,0|2,0,0]=4 10850 B12R0.98 CCCNC(=O)C(C)NC[C@@H](C)O 2230a_100025744714_100009817552 [0,2,0,0,0,0|2,0,0]=4 10851 B12R0.98 CCCNC(=O)C(C)NC[C@@H](C)O 34a_100025744714_100009817552 [0,2,0,0,0,0|2,0,0]=4 10852 B12R0.98 CCCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230305 [0,2,0,0,0,0|2,0,0]=4 10853 B12R0.98 CCCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230305 [0,2,0,0,0,0|2,0,0]=4 10854 B12R0.98 CCCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230305 [0,2,0,0,0,0|2,0,0]=4 10855 B12R0.98 CCCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230305 [0,2,0,0,0,0|2,0,0]=4 10856 B12R0.98 CCCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230305 [0,2,0,0,0,0|2,0,0]=4 10857 B12R0.98 CCCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230305 [0,2,0,0,0,0|2,0,0]=4 10858 B12R0.98 CCCNC(=O)C(C)SCC(C)C 62a_100000230305_100000210760 [0,2,0,0,0,0|2,0,0]=4 10859 B12R0.98 CCCNC(=O)C(C)SCC(C)O 62a_100000230305_100011218427 [0,2,0,0,0,0|2,0,0]=4 10860 B12R0.98 CCCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230305 [0,2,0,0,0,0|2,0,0]=4 10861 B12R0.98 CCCNC(=O)C(C)SC[C@@H](C)O 62a_100000230305_100009817552 [0,2,0,0,0,0|2,0,0]=4 10862 B12R0.98 CCCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230305 [0,2,0,0,0,0|2,0,0]=4 10863 B12R0.98 CCCNC(=O)N(C)CCC(C)C 2708a_100020643023_100000742789 [0,2,0,0,0,0|2,0,0]=4 10864 B12R0.98 CCCNC(=O)N(C)CCC(C)C 273464a_100020643023_100000742789 [0,2,0,0,0,0|2,0,0]=4 10865 B12R0.98 CCCNC(C)C(=O)NCC(C)C 2230a_100025753496_100000210303 [0,2,0,0,0,0|2,0,0]=4 10866 B12R0.98 CCCNC(C)C(=O)NCC(C)C 34a_100025753496_100000210303 [0,2,0,0,0,0|2,0,0]=4 10867 B12R0.98 CCCOC(=O)C(C)NCC(C)C 2230a_100000210953_100000760410 [0,2,0,0,0,0|1,0,0]=3 10868 B12R0.98 CCCOC(=O)C(C)NCC(C)C 34a_100000210953_100000760410 [0,2,0,0,0,0|1,0,0]=3 10869 B12R0.98 CCCOC(=O)C(C)NCC(C)O 2230a_100000210904_100000760410 [0,2,0,0,0,0|1,0,0]=3 10870 B12R0.98 CCCOC(=O)C(C)NCC(C)O 34a_100000210904_100000760410 [0,2,0,0,0,0|1,0,0]=3 10871 B12R0.98 CCCOC(=O)C(C)NCC(F)F 34a_100000765723_100000760410 [0,2,0,0,0,0|2,0,0]=4 10872 B12R0.98 CCCOC(=O)C(C)OCC(=O)C 34a_100000211253_100000760410 [0,2,0,0,0,0|1,0,1]=4 10873 B12R0.98 CCCOC(=O)C(C)OCC(C)Br 34a_100012180447_100000760410 [0,2,0,0,0,0|1,0,0]=3 10874 B12R0.98 CCCOC(=O)C(C)OCC(C)C 34a_100000037348_100000210624 [0,2,0,0,0,0|1,0,0]=3 10875 B12R0.98 CCCOC(=O)C(C)OCC(C)C 34a_100000210257_100000760410 [0,2,0,0,0,0|1,0,0]=3 10876 B12R0.98 CCCOC(=O)C(C)OCC(C)C 7a_100000037348_100000210760 [0,2,0,0,0,0|1,0,0]=3 10877 B12R0.98 CCCOC(=O)C(C)OCC(C)F 34a_100015925927_100000760410 [0,2,0,0,0,0|1,0,0]=3 10878 B12R0.98 CCCOC(=O)C(C)OCC(C)O 34a_100000037348_100011218427 [0,2,0,0,0,0|1,0,0]=3 10879 B12R0.98 CCCOC(=O)C(C)OCC(C)O 7a_100000037348_100011218427 [0,2,0,0,0,0|1,0,0]=3 10880 B12R0.98 CCCOC(=O)C(C)OCC(F)F 34a_100000037348_100011934356 [0,2,0,0,0,0|2,0,0]=4 10881 B12R0.98 CCCOC(=O)C(C)OCC(F)F 34a_100000743014_100000760410 [0,2,0,0,0,0|2,0,0]=4 10882 B12R0.98 CCCOC(=O)C(C)OCC(F)F 7a_100000037348_100011934356 [0,2,0,0,0,0|2,0,0]=4 10883 B12R0.98 CCCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000760410 [0,2,0,0,0,0|1,0,0]=3 10884 B12R0.98 CCCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000760410 [0,2,0,0,0,0|1,0,0]=3 10885 B12R0.98 CCCOC(=O)C(C)OC[C@@H](C)O 34a_100000037348_100009817552 [0,2,0,0,0,0|1,0,0]=3 10886 B12R0.98 CCCOC(=O)C(C)OC[C@@H](C)O 7a_100000037348_100009817552 [0,2,0,0,0,0|1,0,0]=3 10887 B12R0.98 CCCOC(=O)C(C)SCC(C)C 62a_100000210624_100000760410 [0,2,0,0,0,0|1,0,0]=3 10888 B12R0.98 CCCOC(=O)C(C)SCC(C)C 62a_100000760410_100000210760 [0,2,0,0,0,0|1,0,0]=3 10889 B12R0.98 CCCOC(=O)C(C)SCC(C)O 62a_100000760410_100011218427 [0,2,0,0,0,0|1,0,0]=3 10890 B12R0.98 CCCOC(=O)C(C)SCC(C)O 62a_100011218427_100000760410 [0,2,0,0,0,0|1,0,0]=3 10891 B12R0.98 CCCOC(=O)C(C)SCC(F)F 62a_100000760410_100011934356 [0,2,0,0,0,0|2,0,0]=4 10892 B12R0.98 CCCOC(=O)C(C)SCC(F)F 62a_100011934356_100000760410 [0,2,0,0,0,0|2,0,0]=4 10893 B12R0.98 CCCOC(=O)C(C)SC[C@@H](C)O 62a_100000760410_100009817552 [0,2,0,0,0,0|1,0,0]=3 10894 B12R0.98 CCCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000760410 [0,2,0,0,0,0|1,0,0]=3 10895 B12R0.98 CCCOC(C)C(=O)NCC(C)C 34a_100000210258_100000230289 [0,2,0,0,0,0|2,0,0]=4 10896 B12R0.98 CCCSC(C)C(=O)NCC(C)C 62a_100000210303_100000230289 [0,2,0,0,0,0|2,0,0]=4 10897 B12R0.98 CCCSC(C)C(=O)NCC(C)C 62a_100000230289_100000210303 [0,2,0,0,0,0|2,0,0]=4 10898 B12R0.98 CCOCC(=O)C(C)CCC(C)C 1458a_100000211967_100011261404 [0,2,0,0,0,0|2,0,0]=4 10899 B12R0.98 CCSCC(=O)C(C)CCC(C)C 1458a_100000230394_100011261404 [0,2,0,0,0,0|2,0,0]=4 10900 B12R0.98 COCCC(=O)C(C)CCC(C)C 1458a_100000749529_100011261404 [0,2,0,0,0,0|2,0,0]=4 10901 B12R0.98 CSCCC(=O)C(C)CCC(C)C 1458a_100000174002_100011261404 [0,2,0,0,0,0|2,0,0]=4 10902 B12R0.98 CSCCC(O)C(=O)CCC(C)C 1458a_100000685904_100000210312 [0,2,0,0,0,0|2,0,0]=4 10903 B12R0.98 CSCCC(O)C(=O)CCC(C)O 1458a_100000685904_100012276601 [0,2,0,0,0,0|2,0,0]=4 10904 B12R0.98 CSCCC(O)C(=O)NCC(C)C 240690a_100000210953_100000685904 [0,2,0,0,0,0|2,0,0]=4 10905 B12R0.98 CSCCC(O)C(=O)NCC(C)O 240690a_100000210904_100000685904 [0,2,0,0,0,0|2,0,0]=4 10906 B12R0.252 CCC(C)CC(=O)C(O)CCSC 1458a_100000685904_100000748023 [0,2,0,0,0,0|2,0,0]=4 10907 B12R0.252 CCC(C)NC(=O)C(O)CCSC 240690a_100000209981_100000685904 [0,2,0,0,0,0|2,0,0]=4 10908 B12R0.252 CCC(O)CC(=O)C(O)CCSC 1458a_100000685904_100011218378 [0,2,0,0,0,0|2,0,0]=4 10909 B12R0.252 CCCCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210211 [0,2,0,0,0,0|1,0,1]=4 10910 B12R0.252 CCCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210211 [0,2,0,0,0,0|2,0,0]=4 10911 B12R0.252 CCCCC(=O)N(C)CC(C)CC 11a_100000753921_100000210183 [0,2,0,0,0,0|2,0,0]=4 10912 B12R0.252 CCCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210183 [0,2,0,0,0,0|2,0,0]=4 10913 B12R0.252 CCCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210183 [0,2,0,0,0,0|2,0,0]=4 10914 B12R0.252 CCCCC(=O)N(C)CC(C)CC 527a_100000753921_100000210183 [0,2,0,0,0,0|2,0,0]=4 10915 B12R0.252 CCCCC(C)C(=O)C=C(C)CC 1458a_100020758463_200011215066 [0,2,0,0,0,0|1,0,1]=4 10916 B12R0.252 CCCCC(C)C(=O)CC(=O)CC 1458a_100000725509_100000747405 [0,2,0,0,0,0|1,0,1]=4 10917 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000708755_200011215066 [0,2,0,0,0,0|1,0,0]=3 10918 B12R0.252 CCCCC(C)C(=O)CC(C)CC 1458a_100000725509_100000748023 [0,2,0,0,0,0|1,0,0]=3 10919 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100000725509_100011218378 [0,2,0,0,0,0|1,0,0]=3 10920 B12R0.252 CCCCC(C)C(=O)CC(O)CC 1458a_100011667805_200011215066 [0,2,0,0,0,0|1,0,0]=3 10921 B12R0.252 CCCCC(C)C(=O)CN(C)CC 1458a_100116209913_200011215066 [0,2,0,0,0,0|2,0,0]=4 10922 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CC 1458a_100000725509_100009816398 [0,2,0,0,0,0|1,0,0]=3 10923 B12R0.252 CCCCC(C)C(=O)C[C@@H](C)CO 1458a_100000725509_100000059175 [0,2,0,0,0,0|2,0,0]=4 10924 B12R0.252 CCCCC(C)C(=O)NC(C)CC 11a_100000209981_100000725509 [0,2,0,0,0,0|1,0,0]=3 10925 B12R0.252 CCCCC(C)C(=O)NC(C)CC 1626a_100000209981_100000725509 [0,2,0,0,0,0|1,0,0]=3 10926 B12R0.252 CCCCC(C)C(=O)NC(C)CC 240690a_100000209981_100000725509 [0,2,0,0,0,0|1,0,0]=3 10927 B12R0.252 CCCCC(C)C(=O)NC(C)CC 527a_100000209981_100000725509 [0,2,0,0,0,0|1,0,0]=3 10928 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 11a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 10929 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 10930 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 240690a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 10931 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CF 527a_100102880703_100000725509 [0,2,0,0,0,0|2,0,0]=4 10932 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000725509 [0,2,0,0,0,0|2,0,0]=4 10933 B12R0.252 CCCCC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000725509 [0,2,0,0,0,0|2,0,0]=4 10934 B12R0.252 CCCCC(O)C(=O)CC(=O)CC 1458a_100000720857_100000747405 [0,2,0,0,0,0|1,0,1]=4 10935 B12R0.252 CCCCC(O)C(=O)CC(C)CC 1458a_100000720857_100000748023 [0,2,0,0,0,0|1,0,0]=3 10936 B12R0.252 CCCCC(O)C(=O)CC(O)CC 1458a_100000720857_100011218378 [0,2,0,0,0,0|1,0,0]=3 10937 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CC 1458a_100000720857_100009816398 [0,2,0,0,0,0|1,0,0]=3 10938 B12R0.252 CCCCC(O)C(=O)C[C@@H](C)CO 1458a_100000720857_100000059175 [0,2,0,0,0,0|2,0,0]=4 10939 B12R0.252 CCCCC(O)C(=O)NC(C)CC 240690a_100000209981_100000720857 [0,2,0,0,0,0|1,0,0]=3 10940 B12R0.252 CCCCC(O)C(=O)NC(C)CC 527a_100000209981_100000720857 [0,2,0,0,0,0|1,0,0]=3 10941 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CF 240690a_100102880703_100000720857 [0,2,0,0,0,0|2,0,0]=4 10942 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CF 527a_100102880703_100000720857 [0,2,0,0,0,0|2,0,0]=4 10943 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CO 240690a_100000737577_100000720857 [0,2,0,0,0,0|2,0,0]=4 10944 B12R0.252 CCCCC(O)C(=O)N[C@H](C)CO 527a_100000737577_100000720857 [0,2,0,0,0,0|2,0,0]=4 10945 B12R0.252 CCCCN(C)C(=O)CC(C)CC 11a_100000207549_100000708755 [0,2,0,0,0,0|2,0,0]=4 10946 B12R0.252 CCCCN(C)C(=O)CC(C)CC 1626a_100000207549_100000708755 [0,2,0,0,0,0|2,0,0]=4 10947 B12R0.252 CCCCN(C)C(=O)CC(C)CC 240690a_100000207549_100000708755 [0,2,0,0,0,0|2,0,0]=4 10948 B12R0.252 CCCCN(C)C(=O)CC(C)CC 527a_100000207549_100000708755 [0,2,0,0,0,0|2,0,0]=4 10949 B12R0.252 CCCCN(C)C(=O)CC(O)CC 1626a_100000207549_100011667805 [0,2,0,0,0,0|2,0,0]=4 10950 B12R0.252 CCCCN(C)C(=O)CC(O)CC 240690a_100000207549_100011667805 [0,2,0,0,0,0|2,0,0]=4 10951 B12R0.252 CCCCN(C)C(=O)NC(C)CC 2708a_100000209981_100000207549 [0,2,0,0,0,0|2,0,0]=4 10952 B12R0.252 CCCCN(C)C(=O)NC(C)CC 273464a_100000209981_100000207549 [0,2,0,0,0,0|2,0,0]=4 10953 B12R0.252 CCCNC(=O)C(=O)CC(C)CC 1458a_200011297150_100000748023 [0,2,0,0,0,0|1,0,1]=4 10954 B12R0.252 CCCNC(=O)C(=O)CC(O)CC 1458a_200011297150_100011218378 [0,2,0,0,0,0|1,0,1]=4 10955 B12R0.252 CCCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297150_100009816398 [0,2,0,0,0,0|1,0,1]=4 10956 B12R0.252 CCCNC(=O)C(C)CN(C)CC 11a_100020643023_200015185930 [0,2,0,0,0,0|2,0,0]=4 10957 B12R0.252 CCCNC(=O)C(C)CN(C)CC 1626a_100020643023_200015185930 [0,2,0,0,0,0|2,0,0]=4 10958 B12R0.252 CCCNC(=O)C(C)CN(C)CC 240690a_100020643023_200015185930 [0,2,0,0,0,0|2,0,0]=4 10959 B12R0.252 CCCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230305 [0,2,0,0,0,0|2,0,0]=4 10960 B12R0.252 CCCNC(=O)C(C)NC(C)CC 2230a_100025744714_100000758301 [0,2,0,0,0,0|2,0,0]=4 10961 B12R0.252 CCCNC(=O)C(C)NC(C)CC 34a_100025744714_100011215416 [0,2,0,0,0,0|2,0,0]=4 10962 B12R0.252 CCCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230305 [0,2,0,0,0,0|2,0,0]=4 10963 B12R0.252 CCCNC(=O)C(C)SC(C)CC 62a_100000230305_100000758301 [0,2,0,0,0,0|2,0,0]=4 10964 B12R0.252 CCCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230305 [0,2,0,0,0,0|2,0,0]=4 10965 B12R0.252 CCCNC(=O)N(C)CC(C)CC 2708a_100020643023_100000753921 [0,2,0,0,0,0|2,0,0]=4 10966 B12R0.252 CCCNC(=O)N(C)CC(C)CC 273464a_100020643023_100000753921 [0,2,0,0,0,0|2,0,0]=4 10967 B12R0.252 CCCOC(=O)C(C)NC(C)CC 2230a_100000209981_100000760410 [0,2,0,0,0,0|1,0,0]=3 10968 B12R0.252 CCCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100000760410 [0,2,0,0,0,0|2,0,0]=4 10969 B12R0.252 CCCOC(=O)C(C)OC(C)CC 34a_100000037348_100011215416 [0,2,0,0,0,0|1,0,0]=3 10970 B12R0.252 CCCOC(=O)C(C)OC(C)CC 7a_100000037348_100000758301 [0,2,0,0,0,0|1,0,0]=3 10971 B12R0.252 CCCOC(=O)C(C)OC(C)CC 7a_100000210228_100000760410 [0,2,0,0,0,0|1,0,0]=3 10972 B12R0.252 CCCOC(=O)C(C)OC(C)CF 34a_100016041109_100000760410 [0,2,0,0,0,0|2,0,0]=4 10973 B12R0.252 CCCOC(=O)C(C)OC(C)CF 7a_100016041109_100000760410 [0,2,0,0,0,0|2,0,0]=4 10974 B12R0.252 CCCOC(=O)C(C)OC(C)CN 34a_100000210904_100000760410 [0,2,0,0,0,0|2,0,0]=4 10975 B12R0.252 CCCOC(=O)C(C)OC(C)CO 34a_100000037348_100012180447 [0,2,0,0,0,0|2,0,0]=4 10976 B12R0.252 CCCOC(=O)C(C)OC(C)CO 7a_100000037348_100012180447 [0,2,0,0,0,0|2,0,0]=4 10977 B12R0.252 CCCOC(=O)C(C)SC(C)CC 62a_100000758301_100000760410 [0,2,0,0,0,0|1,0,0]=3 10978 B12R0.252 CCCOC(=O)C(C)SC(C)CC 62a_100000760410_100000758301 [0,2,0,0,0,0|1,0,0]=3 10979 B12R0.252 CCCOC(=O)C(C)SC(C)CO 62a_100012180447_100000760410 [0,2,0,0,0,0|2,0,0]=4 10980 B12R0.252 CCCOC(=O)C(C)SC(C)OC 62a_100000760410_100009879195 [0,2,0,0,0,0|2,0,0]=4 10981 B12R0.252 CCCOC(=O)C(C)SC(C)OC 62a_100009879195_100000760410 [0,2,0,0,0,0|2,0,0]=4 10982 B12R0.252 CCCOC(=O)C(C)S[C@H](C)CO 62a_100000760410_100016084084 [0,2,0,0,0,0|2,0,0]=4 10983 B12R0.252 CCCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100000760410 [0,2,0,0,0,0|2,0,0]=4 10984 B12R0.252 CCCSC(C)C(=O)NC(C)CC 62a_100000210303_100000735909 [0,2,0,0,0,0|2,0,0]=4 10985 B12R0.252 CCCSC(C)C(=O)NC(C)CC 62a_100000735909_100000210303 [0,2,0,0,0,0|2,0,0]=4 10986 B12R0.252 CC[C@H](C)CC(=O)C(O)CCSC 1458a_100000685904_100009816398 [0,2,0,0,0,0|2,0,0]=4 10987 B12R0.291 CCCCC(=O)C(C)(C)CCCC 1458a_100011216040_100000210211 [0,2,0,0,0,0|1,0,0]=3 10988 B12R0.291 CCCCC(=O)C(C)(O)CCCC 1458a_100000137666_100000210211 [0,2,0,0,0,0|1,0,0]=3 10989 B12R0.291 CCCCC(=O)C(F)(F)CCCC 1458a_100000100317_100000210211 [0,2,0,0,0,0|1,0,0]=3 10990 B12R0.291 CCCCC(C)(C)C(=O)CCCF 1458a_100011216040_100011934791 [0,2,0,0,0,0|2,0,0]=4 10991 B12R0.291 CCCCC(C)(C)C(=O)CCCO 1458a_100011216040_100011215043 [0,2,0,0,0,0|2,0,0]=4 10992 B12R0.291 CCCCC(C)(C)C(=O)CCOC 1458a_100011216040_100000233755 [0,2,0,0,0,0|2,0,0]=4 10993 B12R0.291 CCCCC(C)(C)C(=O)CCSC 1458a_100011216040_100000751147 [0,2,0,0,0,0|2,0,0]=4 10994 B12R0.291 CCCCC(C)(C)C(=O)NCCC 11a_100020643023_100011216040 [0,2,0,0,0,0|1,0,0]=3 10995 B12R0.291 CCCCC(C)(C)C(=O)NCCC 1626a_100020643023_100011216040 [0,2,0,0,0,0|1,0,0]=3 10996 B12R0.291 CCCCC(C)(C)C(=O)NCCC 240690a_100020643023_100011216040 [0,2,0,0,0,0|1,0,0]=3 10997 B12R0.291 CCCCC(C)(C)C(=O)NCCC 527a_100020643023_100011216040 [0,2,0,0,0,0|1,0,0]=3 10998 B12R0.291 CCCCC(C)(C)C(=O)NCCF 11a_100000724931_100011216040 [0,2,0,0,0,0|2,0,0]=4 10999 B12R0.291 CCCCC(C)(C)C(=O)NCCF 1626a_100000724931_100011216040 [0,2,0,0,0,0|2,0,0]=4 11000 B12R0.291 CCCCC(C)(C)C(=O)NCCF 240690a_100000724931_100011216040 [0,2,0,0,0,0|2,0,0]=4 11001 B12R0.291 CCCCC(C)(C)C(=O)NCCF 527a_100000724931_100011216040 [0,2,0,0,0,0|2,0,0]=4 11002 B12R0.291 CCCCC(C)(C)C(=O)NCCO 240690a_100000210304_100011216040 [0,2,0,0,0,0|2,0,0]=4 11003 B12R0.291 CCCCC(C)(C)C(=O)NCCO 527a_100000210304_100011216040 [0,2,0,0,0,0|2,0,0]=4 11004 B12R0.291 CCCCC(C)(C)C(=O)NNCC 22a_100000756455_100011216040 [0,2,0,0,0,0|2,0,0]=4 11005 B12R0.291 CCCCC(C)(O)C(=O)CCCF 1458a_100000137666_100011934791 [0,2,0,0,0,0|2,0,0]=4 11006 B12R0.291 CCCCC(C)(O)C(=O)CCCO 1458a_100000137666_100011215043 [0,2,0,0,0,0|2,0,0]=4 11007 B12R0.291 CCCCC(C)(O)C(=O)CCOC 1458a_100000137666_100000233755 [0,2,0,0,0,0|2,0,0]=4 11008 B12R0.291 CCCCC(C)(O)C(=O)CCSC 1458a_100000137666_100000751147 [0,2,0,0,0,0|2,0,0]=4 11009 B12R0.291 CCCCC(C)(O)C(=O)NCCC 240690a_100020643023_100000137666 [0,2,0,0,0,0|1,0,0]=3 11010 B12R0.291 CCCCC(C)(O)C(=O)NCCF 240690a_100000724931_100000137666 [0,2,0,0,0,0|2,0,0]=4 11011 B12R0.291 CCCCC(C)(O)C(=O)NCCO 240690a_100000210304_100000137666 [0,2,0,0,0,0|2,0,0]=4 11012 B12R0.291 CCCCC(C)(O)C(=O)NNCC 22a_100000756455_100000137666 [0,2,0,0,0,0|2,0,0]=4 11013 B12R0.291 CCCCC(F)(F)C(=O)CCCF 1458a_100000100317_100011934791 [0,2,0,0,0,0|2,0,0]=4 11014 B12R0.291 CCCCC(F)(F)C(=O)CCCO 1458a_100000100317_100011215043 [0,2,0,0,0,0|2,0,0]=4 11015 B12R0.291 CCCCC(F)(F)C(=O)CCOC 1458a_100000100317_100000233755 [0,2,0,0,0,0|2,0,0]=4 11016 B12R0.291 CCCCC(F)(F)C(=O)CCSC 1458a_100000100317_100000751147 [0,2,0,0,0,0|2,0,0]=4 11017 B12R0.291 CCCCC(F)(F)C(=O)NCCC 11a_100020643023_100000100317 [0,2,0,0,0,0|1,0,0]=3 11018 B12R0.291 CCCCC(F)(F)C(=O)NCCC 1626a_100020643023_100000100317 [0,2,0,0,0,0|1,0,0]=3 11019 B12R0.291 CCCCC(F)(F)C(=O)NCCC 240690a_100020643023_100000100317 [0,2,0,0,0,0|1,0,0]=3 11020 B12R0.291 CCCCC(F)(F)C(=O)NCCC 527a_100020643023_100000100317 [0,2,0,0,0,0|1,0,0]=3 11021 B12R0.291 CCCCC(F)(F)C(=O)NCCF 11a_100000724931_100000100317 [0,2,0,0,0,0|2,0,0]=4 11022 B12R0.291 CCCCC(F)(F)C(=O)NCCF 1626a_100000724931_100000100317 [0,2,0,0,0,0|2,0,0]=4 11023 B12R0.291 CCCCC(F)(F)C(=O)NCCF 240690a_100000724931_100000100317 [0,2,0,0,0,0|2,0,0]=4 11024 B12R0.291 CCCCC(F)(F)C(=O)NCCF 527a_100000724931_100000100317 [0,2,0,0,0,0|2,0,0]=4 11025 B12R0.291 CCCCC(F)(F)C(=O)NCCO 240690a_100000210304_100000100317 [0,2,0,0,0,0|2,0,0]=4 11026 B12R0.291 CCCCC(F)(F)C(=O)NCCO 527a_100000210304_100000100317 [0,2,0,0,0,0|2,0,0]=4 11027 B12R0.291 CCCCC(F)(F)C(=O)NNCC 22a_100000756455_100000100317 [0,2,0,0,0,0|2,0,0]=4 11028 B12R0.291 CCCOC(C)(C)C(=O)OCCO 34a_100000210258_100009817195 [0,2,0,0,0,0|2,0,0]=4 11029 B12R0.291 CCCSC(C)(C)C(=O)OCCO 62a_100000210303_100009817195 [0,2,0,0,0,0|2,0,0]=4 11030 B12R0.291 CCCSC(C)(C)C(=O)OCCO 62a_100009817195_100000210303 [0,2,0,0,0,0|2,0,0]=4 11031 B12R0.351 CCC#CC(=O)C(CC)CCCC 1458a_100011827653_200011216223 [0,2,0,0,0,0|1,0,1]=4 11032 B12R0.351 CCC=CC(=O)C(CC)CCCC 1458a_100000212282_200011216223 [0,2,0,0,0,0|1,0,1]=4 11033 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000210183_200011216223 [0,2,0,0,0,0|1,0,0]=3 11034 B12R0.351 CCCCC(=O)C(CC)CCCC 1458a_100000211130_100000210211 [0,2,0,0,0,0|1,0,0]=3 11035 B12R0.351 CCCCC(=O)C(CCCC)OC 34a_200000040183_200000210301 [0,2,0,0,0,0|1,0,0]=3 11036 B12R0.351 CCCCC(=O)C(CCCC)OC 7a_200000040183_200000210301 [0,2,0,0,0,0|1,0,0]=3 11037 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 34a_200000040183_200025704644 [0,2,0,0,0,0|1,0,0]=3 11038 B12R0.351 CCCCC(=O)C(CCCC)O[13CH3] 7a_200000040183_200025704644 [0,2,0,0,0,0|1,0,0]=3 11039 B12R0.351 CCCCC(=O)N(CC)CCCC 11a_100000207695_100000210183 [0,2,0,0,0,0|2,0,0]=4 11040 B12R0.351 CCCCC(=O)N(CC)CCCC 1626a_100000207695_100000210183 [0,2,0,0,0,0|2,0,0]=4 11041 B12R0.351 CCCCC(=O)N(CC)CCCC 240690a_100000207695_100000210183 [0,2,0,0,0,0|2,0,0]=4 11042 B12R0.351 CCCCC(=O)N(CC)CCCC 527a_100000207695_100000210183 [0,2,0,0,0,0|2,0,0]=4 11043 B12R0.351 CCCCC(CC)C(=O)CCCF 1458a_100000211130_100011934791 [0,2,0,0,0,0|2,0,0]=4 11044 B12R0.351 CCCCC(CC)C(=O)CCCO 1458a_100000211130_100011215043 [0,2,0,0,0,0|2,0,0]=4 11045 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000211130_100000233755 [0,2,0,0,0,0|2,0,0]=4 11046 B12R0.351 CCCCC(CC)C(=O)CCOC 1458a_100000749529_200011216223 [0,2,0,0,0,0|2,0,0]=4 11047 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000174002_200011216223 [0,2,0,0,0,0|2,0,0]=4 11048 B12R0.351 CCCCC(CC)C(=O)CCSC 1458a_100000211130_100000751147 [0,2,0,0,0,0|2,0,0]=4 11049 B12R0.351 CCCCC(CC)C(=O)COCC 1458a_100000211967_200011216223 [0,2,0,0,0,0|2,0,0]=4 11050 B12R0.351 CCCCC(CC)C(=O)CSCC 1458a_100000230394_200011216223 [0,2,0,0,0,0|2,0,0]=4 11051 B12R0.351 CCCCC(CC)C(=O)NCCC 11a_100020643023_100000211130 [0,2,0,0,0,0|1,0,0]=3 11052 B12R0.351 CCCCC(CC)C(=O)NCCC 1626a_100020643023_100000211130 [0,2,0,0,0,0|1,0,0]=3 11053 B12R0.351 CCCCC(CC)C(=O)NCCC 240690a_100020643023_100000211130 [0,2,0,0,0,0|1,0,0]=3 11054 B12R0.351 CCCCC(CC)C(=O)NCCC 527a_100020643023_100000211130 [0,2,0,0,0,0|1,0,0]=3 11055 B12R0.351 CCCCC(CC)C(=O)NCCF 11a_100000724931_100000211130 [0,2,0,0,0,0|2,0,0]=4 11056 B12R0.351 CCCCC(CC)C(=O)NCCF 1626a_100000724931_100000211130 [0,2,0,0,0,0|2,0,0]=4 11057 B12R0.351 CCCCC(CC)C(=O)NCCF 240690a_100000724931_100000211130 [0,2,0,0,0,0|2,0,0]=4 11058 B12R0.351 CCCCC(CC)C(=O)NCCF 527a_100000724931_100000211130 [0,2,0,0,0,0|2,0,0]=4 11059 B12R0.351 CCCCC(CC)C(=O)NCCO 240690a_100000210304_100000211130 [0,2,0,0,0,0|2,0,0]=4 11060 B12R0.351 CCCCC(CC)C(=O)NCCO 527a_100000210304_100000211130 [0,2,0,0,0,0|2,0,0]=4 11061 B12R0.351 CCCCC(CC)C(=O)NNCC 22a_100000756455_100000211130 [0,2,0,0,0,0|2,0,0]=4 11062 B12R0.351 CCCCC(CC)C(C)OCCC 34a_200011290779_100000210303 [0,2,0,0,0,0|1,0,1]=4 11063 B12R0.351 CCCCC(CC)C(C)OCCC 7a_200011290779_100000210303 [0,2,0,0,0,0|1,0,1]=4 11064 B12R0.351 CCCCN(CC)C(=O)NCCC 2708a_100020643023_100000207695 [0,2,0,0,0,0|2,0,0]=4 11065 B12R0.351 CCCCN(CC)C(=O)NCCC 273464a_100020643023_100000207695 [0,2,0,0,0,0|2,0,0]=4 11066 B12R0.351 CCCNC(=O)C(CC)SCCC 62a_100000210303_200011763335 [0,2,0,0,0,0|2,0,0]=4 11067 B12R0.351 CCCNC(=O)C(CC)SCCC 62a_200011763335_100000210303 [0,2,0,0,0,0|2,0,0]=4 11068 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000690238_200011215066 [0,2,0,0,0,0|1,0,1]=4 11069 B12R0.648 C#CCCCC(=O)C(C)CCCC 1458a_100000725509_100000731252 [0,2,0,0,0,0|1,0,1]=4 11070 B12R0.648 C#CCCCC(=O)C(O)CCCC 1458a_100000720857_100000731252 [0,2,0,0,0,0|1,0,1]=4 11071 B12R0.648 C#CCCNC(=O)C(C)CCCC 11a_100000755551_100000725509 [0,2,0,0,0,0|1,0,1]=4 11072 B12R0.648 C#CCCNC(=O)C(C)CCCC 1626a_100000755551_100000725509 [0,2,0,0,0,0|1,0,1]=4 11073 B12R0.648 C#CCCNC(=O)C(C)CCCC 240690a_100000755551_100000725509 [0,2,0,0,0,0|1,0,1]=4 11074 B12R0.648 C#CCCNC(=O)C(C)CCCC 527a_100000755551_100000725509 [0,2,0,0,0,0|1,0,1]=4 11075 B12R0.648 C#CCCNC(=O)C(O)CCCC 240690a_100000755551_100000720857 [0,2,0,0,0,0|1,0,1]=4 11076 B12R0.648 C#CCCNC(=O)C(O)CCCC 527a_100000755551_100000720857 [0,2,0,0,0,0|1,0,1]=4 11077 B12R0.648 C#CCCNC(C)C(=O)OCCC 34a_100000755551_100000760410 [0,2,0,0,0,0|0,0,2]=4 11078 B12R0.648 C#CCCOC(C)C(=O)OCCC 34a_100000037348_100000688953 [0,2,0,0,0,0|0,0,2]=4 11079 B12R0.648 C#CCCOC(C)C(=O)OCCC 34a_100011215631_100000760410 [0,2,0,0,0,0|0,0,2]=4 11080 B12R0.648 C#CCCOC(C)C(=O)OCCC 7a_100000037348_100000688953 [0,2,0,0,0,0|0,0,2]=4 11081 B12R0.648 C#CCCSC(C)C(=O)OCCC 62a_100000688953_100000760410 [0,2,0,0,0,0|0,0,2]=4 11082 B12R0.648 C#CCCSC(C)C(=O)OCCC 62a_100000760410_100000688953 [0,2,0,0,0,0|0,0,2]=4 11083 B12R0.648 C#CCOCC(=O)C(C)CCCC 1458a_100011251226_200011215066 [0,2,0,0,0,0|0,0,2]=4 11084 B12R0.648 C/C=C/COC(C)C(=O)OCCC 34a_100000037348_100102629194 [0,2,0,0,0,0|0,0,2]=4 11085 B12R0.648 C/C=C/COC(C)C(=O)OCCC 34a_100016270725_100000760410 [0,2,0,0,0,0|0,0,2]=4 11086 B12R0.648 C/C=C/COC(C)C(=O)OCCC 7a_100000037348_100102629194 [0,2,0,0,0,0|0,0,2]=4 11087 B12R0.648 C/C=C/CSC(C)C(=O)OCCC 62a_100000760410_100102629194 [0,2,0,0,0,0|0,0,2]=4 11088 B12R0.648 C/C=C/CSC(C)C(=O)OCCC 62a_100102629194_100000760410 [0,2,0,0,0,0|0,0,2]=4 11089 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000725509_100000757094 [0,2,0,0,0,0|1,0,1]=4 11090 B12R0.648 C=CCCCC(=O)C(C)CCCC 1458a_100000766728_200011215066 [0,2,0,0,0,0|1,0,1]=4 11091 B12R0.648 C=CCCCC(=O)C(O)CCCC 1458a_100000720857_100000757094 [0,2,0,0,0,0|1,0,1]=4 11092 B12R0.648 C=CCCN(C)C(=O)CCCCC 11a_100020639649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11093 B12R0.648 C=CCCN(C)C(=O)CCCCC 1626a_100020639649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11094 B12R0.648 C=CCCN(C)C(=O)CCCCC 240690a_100020639649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11095 B12R0.648 C=CCCN(C)C(=O)CCCCC 527a_100020639649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11096 B12R0.648 C=CCCNC(=O)C(C)CCCC 11a_100015191253_100000725509 [0,2,0,0,0,0|1,0,1]=4 11097 B12R0.648 C=CCCNC(=O)C(C)CCCC 1626a_100015191253_100000725509 [0,2,0,0,0,0|1,0,1]=4 11098 B12R0.648 C=CCCNC(=O)C(C)CCCC 240690a_100015191253_100000725509 [0,2,0,0,0,0|1,0,1]=4 11099 B12R0.648 C=CCCNC(=O)C(C)CCCC 527a_100015191253_100000725509 [0,2,0,0,0,0|1,0,1]=4 11100 B12R0.648 C=CCCNC(=O)C(O)CCCC 240690a_100015191253_100000720857 [0,2,0,0,0,0|1,0,1]=4 11101 B12R0.648 C=CCCNC(=O)C(O)CCCC 527a_100015191253_100000720857 [0,2,0,0,0,0|1,0,1]=4 11102 B12R0.648 C=CCCNC(C)C(=O)OCCC 2230a_100015191253_100000760410 [0,2,0,0,0,0|0,0,2]=4 11103 B12R0.648 C=CCCOC(C)C(=O)OCCC 34a_100000037348_100000754431 [0,2,0,0,0,0|0,0,2]=4 11104 B12R0.648 C=CCCOC(C)C(=O)OCCC 34a_100011205117_100000760410 [0,2,0,0,0,0|0,0,2]=4 11105 B12R0.648 C=CCCOC(C)C(=O)OCCC 7a_100000037348_100000754431 [0,2,0,0,0,0|0,0,2]=4 11106 B12R0.648 C=CCCSC(C)C(=O)OCCC 62a_100000754431_100000760410 [0,2,0,0,0,0|0,0,2]=4 11107 B12R0.648 C=CCCSC(C)C(=O)OCCC 62a_100000760410_100000754431 [0,2,0,0,0,0|0,0,2]=4 11108 B12R0.648 CC#CCNC(=O)C(C)CCCC 11a_100000685387_100000725509 [0,2,0,0,0,0|1,0,1]=4 11109 B12R0.648 CC#CCNC(=O)C(C)CCCC 1626a_100000685387_100000725509 [0,2,0,0,0,0|1,0,1]=4 11110 B12R0.648 CC#CCNC(=O)C(C)CCCC 527a_100000685387_100000725509 [0,2,0,0,0,0|1,0,1]=4 11111 B12R0.648 CC#CCNC(=O)C(O)CCCC 527a_100000685387_100000720857 [0,2,0,0,0,0|1,0,1]=4 11112 B12R0.648 CC#CCNC(C)C(=O)OCCC 2230a_100000685387_100000760410 [0,2,0,0,0,0|0,0,2]=4 11113 B12R0.648 CC#CCNC(C)C(=O)OCCC 34a_100000685387_100000760410 [0,2,0,0,0,0|0,0,2]=4 11114 B12R0.648 CC#CCOC(C)C(=O)OCCC 34a_100000037348_100000748600 [0,2,0,0,0,0|0,0,2]=4 11115 B12R0.648 CC#CCOC(C)C(=O)OCCC 34a_100000761923_100000760410 [0,2,0,0,0,0|0,0,2]=4 11116 B12R0.648 CC#CCOC(C)C(=O)OCCC 7a_100000037348_100000748600 [0,2,0,0,0,0|0,0,2]=4 11117 B12R0.648 CC#CCSC(C)C(=O)OCCC 62a_100000748600_100000760410 [0,2,0,0,0,0|0,0,2]=4 11118 B12R0.648 CC#CCSC(C)C(=O)OCCC 62a_100000760410_100000748600 [0,2,0,0,0,0|0,0,2]=4 11119 B12R0.648 CC/C=C/CC(=O)C(C)CCCC 1458a_100016274230_200011215066 [0,2,0,0,0,0|1,0,1]=4 11120 B12R0.648 CC/C=C\CC(=O)C(C)CCCC 1458a_100000725509_100103147603 [0,2,0,0,0,0|1,0,1]=4 11121 B12R0.648 CC/C=C\CC(=O)C(O)CCCC 1458a_100000720857_100103147603 [0,2,0,0,0,0|1,0,1]=4 11122 B12R0.648 CC=CCOC(C)C(=O)OCCC 34a_100000037348_100000070051 [0,2,0,0,0,0|0,0,2]=4 11123 B12R0.648 CC=CCOC(C)C(=O)OCCC 7a_100000037348_100000070051 [0,2,0,0,0,0|0,0,2]=4 11124 B12R0.648 CC=CCSC(C)C(=O)OCCC 62a_100000070051_100000760410 [0,2,0,0,0,0|0,0,2]=4 11125 B12R0.648 CC=CCSC(C)C(=O)OCCC 62a_100000760410_100000070051 [0,2,0,0,0,0|0,0,2]=4 11126 B12R0.648 CCC#CC(=O)C(C)CCCCC 1458a_100011827653_200011218191 [0,2,0,0,0,0|1,0,1]=4 11127 B12R0.648 CCC#CCC(=O)C(C)CCCC 1458a_100000725509_100009813939 [0,2,0,0,0,0|1,0,1]=4 11128 B12R0.648 CCC#CCC(=O)C(O)CCCC 1458a_100000720857_100009813939 [0,2,0,0,0,0|1,0,1]=4 11129 B12R0.648 CCC/C=C(\C)/C(=O)CCCCC 1458a_200020648666_100000210326 [0,2,0,0,0,0|1,0,0]=3 11130 B12R0.648 CCC/C=C(\C)/C(=O)CCCCF 1458a_200020648666_100000729493 [0,2,0,0,0,0|2,0,0]=4 11131 B12R0.648 CCC/C=C(\C)/C(=O)CCCCO 1458a_200020648666_100000210776 [0,2,0,0,0,0|2,0,0]=4 11132 B12R0.648 CCC/C=C(\C)/C(=O)CCCOC 1458a_200020648666_100000740836 [0,2,0,0,0,0|2,0,0]=4 11133 B12R0.648 CCC/C=C(\C)/C(=O)CCOCC 1458a_200020648666_100011215890 [0,2,0,0,0,0|2,0,0]=4 11134 B12R0.648 CCC/C=C(\C)/C(=O)CCSCC 1458a_200020648666_100000757381 [0,2,0,0,0,0|2,0,0]=4 11135 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 11a_100000102301_200020648666 [0,2,0,0,0,0|2,0,0]=4 11136 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_200020648666 [0,2,0,0,0,0|2,0,0]=4 11137 B12R0.648 CCC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_200020648666 [0,2,0,0,0,0|2,0,0]=4 11138 B12R0.648 CCC=CC(=O)C(C)CCCCC 1458a_100000212282_200011218191 [0,2,0,0,0,0|1,0,1]=4 11139 B12R0.648 CCC=CC(=O)N(C)CCCCC 11a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 11140 B12R0.648 CCC=CC(=O)N(C)CCCCC 1626a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 11141 B12R0.648 CCC=CC(=O)N(C)CCCCC 240690a_100000223495_100000212282 [0,2,0,0,0,0|1,0,1]=4 11142 B12R0.648 CCCC#CC(=O)C(C)CCCC 1458a_200011218047_200011215066 [0,2,0,0,0,0|1,0,0]=3 11143 B12R0.648 CCCC#CC(=O)N(C)CCCC 240690a_100000207549_200011218047 [0,2,0,0,0,0|2,0,0]=4 11144 B12R0.648 CCCC=CC(=O)C(C)CCCC 1458a_100000212230_200011215066 [0,2,0,0,0,0|1,0,0]=3 11145 B12R0.648 CCCC=CC(=O)N(C)CCCC 11a_100000207549_100000212230 [0,2,0,0,0,0|2,0,0]=4 11146 B12R0.648 CCCC=CC(=O)N(C)CCCC 1626a_100000207549_100000212230 [0,2,0,0,0,0|2,0,0]=4 11147 B12R0.648 CCCC=CC(=O)N(C)CCCC 240690a_100000207549_100000212230 [0,2,0,0,0,0|2,0,0]=4 11148 B12R0.648 CCCCC(=O)N(C)CCCCO 240690a_100000717598_100000210183 [0,2,0,0,0,0|2,0,0]=4 11149 B12R0.648 CCCCC(=O)N(C)CCCOC 11a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 11150 B12R0.648 CCCCC(=O)N(C)CCCOC 1626a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 11151 B12R0.648 CCCCC(=O)N(C)CCCOC 240690a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 11152 B12R0.648 CCCCC(=O)N(C)CCCOC 527a_100000224831_100000210183 [0,2,0,0,0,0|2,0,0]=4 11153 B12R0.648 CCCCC(C)C(=O)C=CCOC 1458a_100016285016_200011215066 [0,2,0,0,0,0|1,0,1]=4 11154 B12R0.648 CCCCC(C)C(=O)C=COCC 1458a_100016266692_200011215066 [0,2,0,0,0,0|1,0,1]=4 11155 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000075515_200011215066 [0,2,0,0,0,0|1,0,1]=4 11156 B12R0.648 CCCCC(C)C(=O)CCCC#N 1458a_100000725509_100000211468 [0,2,0,0,0,0|1,0,1]=4 11157 B12R0.648 CCCCC(C)C(=O)CCCCF 1458a_100000725509_100000729493 [0,2,0,0,0,0|1,0,0]=3 11158 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000695505_200011215066 [0,2,0,0,0,0|1,0,0]=3 11159 B12R0.648 CCCCC(C)C(=O)CCCCO 1458a_100000725509_100000210776 [0,2,0,0,0,0|1,0,0]=3 11160 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000725509_100000740836 [0,2,0,0,0,0|1,0,0]=3 11161 B12R0.648 CCCCC(C)C(=O)CCCOC 1458a_100000741012_200011215066 [0,2,0,0,0,0|1,0,0]=3 11162 B12R0.648 CCCCC(C)C(=O)CCCSC 1458a_100000173376_200011215066 [0,2,0,0,0,0|1,0,0]=3 11163 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000725509_100011215890 [0,2,0,0,0,0|1,0,0]=3 11164 B12R0.648 CCCCC(C)C(=O)CCOCC 1458a_100000749530_200011215066 [0,2,0,0,0,0|1,0,0]=3 11165 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000230768_200011215066 [0,2,0,0,0,0|1,0,0]=3 11166 B12R0.648 CCCCC(C)C(=O)CCSCC 1458a_100000725509_100000757381 [0,2,0,0,0,0|1,0,0]=3 11167 B12R0.648 CCCCC(C)C(=O)COCCC 1458a_100000745993_200011215066 [0,2,0,0,0,0|0,0,0]=2 11168 B12R0.648 CCCCC(C)C(=O)COCCO 1458a_100000708028_200011215066 [0,2,0,0,0,0|1,0,0]=3 11169 B12R0.648 CCCCC(C)C(=O)CSCCC 1458a_100000217233_200011215066 [0,2,0,0,0,0|0,1,0]=3 11170 B12R0.648 CCCCC(C)C(=O)NCCC#N 11a_100000720768_100000725509 [0,2,0,0,0,0|1,0,1]=4 11171 B12R0.648 CCCCC(C)C(=O)NCCC#N 1626a_100000720768_100000725509 [0,2,0,0,0,0|1,0,1]=4 11172 B12R0.648 CCCCC(C)C(=O)NCCC#N 240690a_100000720768_100000725509 [0,2,0,0,0,0|1,0,1]=4 11173 B12R0.648 CCCCC(C)C(=O)NCCC#N 527a_100000720768_100000725509 [0,2,0,0,0,0|1,0,1]=4 11174 B12R0.648 CCCCC(C)C(=O)NCCCF 11a_100015189416_100000725509 [0,2,0,0,0,0|1,0,0]=3 11175 B12R0.648 CCCCC(C)C(=O)NCCCF 1626a_100015189416_100000725509 [0,2,0,0,0,0|1,0,0]=3 11176 B12R0.648 CCCCC(C)C(=O)NCCCF 240690a_100015189416_100000725509 [0,2,0,0,0,0|1,0,0]=3 11177 B12R0.648 CCCCC(C)C(=O)NCCCF 527a_100015189416_100000725509 [0,2,0,0,0,0|1,0,0]=3 11178 B12R0.648 CCCCC(C)C(=O)NCCCO 240690a_100000182051_100000725509 [0,2,0,0,0,0|1,0,0]=3 11179 B12R0.648 CCCCC(C)C(=O)NCCCO 527a_100000182051_100000725509 [0,2,0,0,0,0|1,0,0]=3 11180 B12R0.648 CCCCC(C)C(=O)NCCOC 1626a_100000209980_100000725509 [0,2,0,0,0,0|1,0,0]=3 11181 B12R0.648 CCCCC(C)C(=O)NCCOC 240690a_100000209980_100000725509 [0,2,0,0,0,0|1,0,0]=3 11182 B12R0.648 CCCCC(C)C(=O)NCCOC 527a_100000209980_100000725509 [0,2,0,0,0,0|1,0,0]=3 11183 B12R0.648 CCCCC(C)C(=O)NCCSC 11a_100020590264_100000725509 [0,2,0,0,0,0|1,0,0]=3 11184 B12R0.648 CCCCC(C)C(=O)NCCSC 1626a_100020590264_100000725509 [0,2,0,0,0,0|1,0,0]=3 11185 B12R0.648 CCCCC(C)C(=O)NCCSC 240690a_100020590264_100000725509 [0,2,0,0,0,0|1,0,0]=3 11186 B12R0.648 CCCCC(C)C(=O)NCCSC 527a_100020590264_100000725509 [0,2,0,0,0,0|1,0,0]=3 11187 B12R0.648 CCCCC(C)C(=O)NNCCC 22a_100000740057_100000725509 [0,2,0,0,0,0|1,0,0]=3 11188 B12R0.648 CCCCC(C)C(=O)NNCCO 22a_100000210001_100000725509 [0,2,0,0,0,0|2,0,0]=4 11189 B12R0.648 CCCCC(O)C(=O)CCCC#N 1458a_100000720857_100000211468 [0,2,0,0,0,0|1,0,1]=4 11190 B12R0.648 CCCCC(O)C(=O)CCCCF 1458a_100000720857_100000729493 [0,2,0,0,0,0|1,0,0]=3 11191 B12R0.648 CCCCC(O)C(=O)CCCCO 1458a_100000720857_100000210776 [0,2,0,0,0,0|1,0,0]=3 11192 B12R0.648 CCCCC(O)C(=O)CCCOC 1458a_100000720857_100000740836 [0,2,0,0,0,0|1,0,0]=3 11193 B12R0.648 CCCCC(O)C(=O)CCOCC 1458a_100000720857_100011215890 [0,2,0,0,0,0|1,0,0]=3 11194 B12R0.648 CCCCC(O)C(=O)CCSCC 1458a_100000720857_100000757381 [0,2,0,0,0,0|1,0,0]=3 11195 B12R0.648 CCCCC(O)C(=O)NCCC#N 240690a_100000720768_100000720857 [0,2,0,0,0,0|1,0,1]=4 11196 B12R0.648 CCCCC(O)C(=O)NCCC#N 527a_100000720768_100000720857 [0,2,0,0,0,0|1,0,1]=4 11197 B12R0.648 CCCCC(O)C(=O)NCCCF 240690a_100015189416_100000720857 [0,2,0,0,0,0|1,0,0]=3 11198 B12R0.648 CCCCC(O)C(=O)NCCCF 527a_100015189416_100000720857 [0,2,0,0,0,0|1,0,0]=3 11199 B12R0.648 CCCCC(O)C(=O)NCCCO 240690a_100000182051_100000720857 [0,2,0,0,0,0|1,0,0]=3 11200 B12R0.648 CCCCC(O)C(=O)NCCCO 527a_100000182051_100000720857 [0,2,0,0,0,0|1,0,0]=3 11201 B12R0.648 CCCCC(O)C(=O)NCCOC 240690a_100000209980_100000720857 [0,2,0,0,0,0|1,0,0]=3 11202 B12R0.648 CCCCC(O)C(=O)NCCOC 527a_100000209980_100000720857 [0,2,0,0,0,0|1,0,0]=3 11203 B12R0.648 CCCCC(O)C(=O)NCCSC 240690a_100020590264_100000720857 [0,2,0,0,0,0|1,0,0]=3 11204 B12R0.648 CCCCC(O)C(=O)NCCSC 527a_100020590264_100000720857 [0,2,0,0,0,0|1,0,0]=3 11205 B12R0.648 CCCCC(O)C(=O)NNCCC 22a_100000740057_100000720857 [0,2,0,0,0,0|1,0,0]=3 11206 B12R0.648 CCCCC(O)C(=O)NNCCO 22a_100000210001_100000720857 [0,2,0,0,0,0|2,0,0]=4 11207 B12R0.648 CCCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210326 [0,2,0,0,0,0|1,0,0]=3 11208 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000212188_200011215066 [0,2,0,0,0,0|1,0,0]=3 11209 B12R0.648 CCCCCC(=O)C(C)CCCC 1458a_100000725509_100000210326 [0,2,0,0,0,0|1,0,0]=3 11210 B12R0.648 CCCCCC(=O)C(O)CCCC 1458a_100000720857_100000210326 [0,2,0,0,0,0|1,0,0]=3 11211 B12R0.648 CCCCCC(=O)C(O)CCSC 1458a_100000685904_100000210326 [0,2,0,0,0,0|1,0,0]=3 11212 B12R0.648 CCCCCC(=O)N(C)CCC#N 11a_100000184479_100000212188 [0,2,0,0,0,0|1,0,1]=4 11213 B12R0.648 CCCCCC(=O)N(C)CCC#N 1626a_100000184479_100000212188 [0,2,0,0,0,0|1,0,1]=4 11214 B12R0.648 CCCCCC(=O)N(C)CCC#N 240690a_100000184479_100000212188 [0,2,0,0,0,0|1,0,1]=4 11215 B12R0.648 CCCCCC(=O)N(C)CCC#N 527a_100000184479_100000212188 [0,2,0,0,0,0|1,0,1]=4 11216 B12R0.648 CCCCCC(=O)N(C)CCCC 11a_100000207549_100000212188 [0,2,0,0,0,0|1,0,0]=3 11217 B12R0.648 CCCCCC(=O)N(C)CCCC 1626a_100000207549_100000212188 [0,2,0,0,0,0|1,0,0]=3 11218 B12R0.648 CCCCCC(=O)N(C)CCCC 240690a_100000207549_100000212188 [0,2,0,0,0,0|1,0,0]=3 11219 B12R0.648 CCCCCC(=O)N(C)CCCC 527a_100000207549_100000212188 [0,2,0,0,0,0|1,0,0]=3 11220 B12R0.648 CCCCCC(=O)N(C)CCCO 240690a_100000213112_100000212188 [0,2,0,0,0,0|1,0,0]=3 11221 B12R0.648 CCCCCC(=O)N(C)CCCO 527a_100000213112_100000212188 [0,2,0,0,0,0|1,0,0]=3 11222 B12R0.648 CCCCCC(=O)N(C)CCOC 11a_100000743101_100000212188 [0,2,0,0,0,0|1,0,0]=3 11223 B12R0.648 CCCCCC(=O)N(C)CCOC 1626a_100000743101_100000212188 [0,2,0,0,0,0|1,0,0]=3 11224 B12R0.648 CCCCCC(=O)N(C)CCOC 240690a_100000743101_100000212188 [0,2,0,0,0,0|1,0,0]=3 11225 B12R0.648 CCCCCC(=O)N(C)CCOC 527a_100000743101_100000212188 [0,2,0,0,0,0|1,0,0]=3 11226 B12R0.648 CCCCCC(=O)N(C)CCSC 11a_100000686725_100000212188 [0,2,0,0,0,0|1,0,0]=3 11227 B12R0.648 CCCCCC(=O)N(C)CCSC 1626a_100000686725_100000212188 [0,2,0,0,0,0|1,0,0]=3 11228 B12R0.648 CCCCCC(=O)N(C)CCSC 240690a_100000686725_100000212188 [0,2,0,0,0,0|1,0,0]=3 11229 B12R0.648 CCCCCC(=O)N(C)CCSC 527a_100000686725_100000212188 [0,2,0,0,0,0|1,0,0]=3 11230 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100000210183_200011218191 [0,2,0,0,0,0|1,0,0]=3 11231 B12R0.648 CCCCCC(C)C(=O)CCCC 1458a_100011215998_100000210211 [0,2,0,0,0,0|1,0,0]=3 11232 B12R0.648 CCCCCC(C)C(=O)CCCF 1458a_100011215998_100011934791 [0,2,0,0,0,0|2,0,0]=4 11233 B12R0.648 CCCCCC(C)C(=O)CCCO 1458a_100011215998_100011215043 [0,2,0,0,0,0|2,0,0]=4 11234 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100000749529_200011218191 [0,2,0,0,0,0|2,0,0]=4 11235 B12R0.648 CCCCCC(C)C(=O)CCOC 1458a_100011215998_100000233755 [0,2,0,0,0,0|2,0,0]=4 11236 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100000174002_200011218191 [0,2,0,0,0,0|2,0,0]=4 11237 B12R0.648 CCCCCC(C)C(=O)CCSC 1458a_100011215998_100000751147 [0,2,0,0,0,0|2,0,0]=4 11238 B12R0.648 CCCCCC(C)C(=O)COCC 1458a_100000211967_200011218191 [0,2,0,0,0,0|2,0,0]=4 11239 B12R0.648 CCCCCC(C)C(=O)CSCC 1458a_100000230394_200011218191 [0,2,0,0,0,0|2,0,0]=4 11240 B12R0.648 CCCCCC(C)C(=O)NCCC 11a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 11241 B12R0.648 CCCCCC(C)C(=O)NCCC 1626a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 11242 B12R0.648 CCCCCC(C)C(=O)NCCC 240690a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 11243 B12R0.648 CCCCCC(C)C(=O)NCCC 527a_100020643023_100011215998 [0,2,0,0,0,0|1,0,0]=3 11244 B12R0.648 CCCCCC(C)C(=O)NCCF 11a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 11245 B12R0.648 CCCCCC(C)C(=O)NCCF 1626a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 11246 B12R0.648 CCCCCC(C)C(=O)NCCF 240690a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 11247 B12R0.648 CCCCCC(C)C(=O)NCCF 527a_100000724931_100011215998 [0,2,0,0,0,0|2,0,0]=4 11248 B12R0.648 CCCCCC(C)C(=O)NCCO 240690a_100000210304_100011215998 [0,2,0,0,0,0|2,0,0]=4 11249 B12R0.648 CCCCCC(C)C(=O)NCCO 527a_100000210304_100011215998 [0,2,0,0,0,0|2,0,0]=4 11250 B12R0.648 CCCCCC(C)C(=O)NNCC 22a_100000756455_100011215998 [0,2,0,0,0,0|2,0,0]=4 11251 B12R0.648 CCCCCN(C)C(=O)CCCC 11a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 11252 B12R0.648 CCCCCN(C)C(=O)CCCC 1626a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 11253 B12R0.648 CCCCCN(C)C(=O)CCCC 240690a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 11254 B12R0.648 CCCCCN(C)C(=O)CCCC 527a_100000223495_100000210183 [0,2,0,0,0,0|1,0,0]=3 11255 B12R0.648 CCCCCN(C)C(=O)CCOC 11a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 11256 B12R0.648 CCCCCN(C)C(=O)CCOC 1626a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 11257 B12R0.648 CCCCCN(C)C(=O)CCOC 240690a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 11258 B12R0.648 CCCCCN(C)C(=O)CCOC 527a_100000223495_100000749529 [0,2,0,0,0,0|2,0,0]=4 11259 B12R0.648 CCCCCN(C)C(=O)CCSC 11a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 11260 B12R0.648 CCCCCN(C)C(=O)CCSC 1626a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 11261 B12R0.648 CCCCCN(C)C(=O)CCSC 240690a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 11262 B12R0.648 CCCCCN(C)C(=O)CCSC 527a_100000223495_100000174002 [0,2,0,0,0,0|2,0,0]=4 11263 B12R0.648 CCCCCN(C)C(=O)COCC 11a_100000223495_100000211967 [0,2,0,0,0,0|2,0,0]=4 11264 B12R0.648 CCCCCN(C)C(=O)COCC 1626a_100000223495_100000211967 [0,2,0,0,0,0|2,0,0]=4 11265 B12R0.648 CCCCCN(C)C(=O)COCC 240690a_100000223495_100000211967 [0,2,0,0,0,0|2,0,0]=4 11266 B12R0.648 CCCCCN(C)C(=O)COCC 527a_100000223495_100000211967 [0,2,0,0,0,0|2,0,0]=4 11267 B12R0.648 CCCCCN(C)C(=O)CSCC 11a_100000223495_100000230394 [0,2,0,0,0,0|2,0,0]=4 11268 B12R0.648 CCCCCN(C)C(=O)CSCC 1626a_100000223495_100000230394 [0,2,0,0,0,0|2,0,0]=4 11269 B12R0.648 CCCCCN(C)C(=O)CSCC 240690a_100000223495_100000230394 [0,2,0,0,0,0|2,0,0]=4 11270 B12R0.648 CCCCCN(C)C(=O)CSCC 527a_100000223495_100000230394 [0,2,0,0,0,0|2,0,0]=4 11271 B12R0.648 CCCCCN(C)C(=O)NCCC 2708a_100020643023_100000223495 [0,2,0,0,0,0|1,0,0]=3 11272 B12R0.648 CCCCCN(C)C(=O)NCCC 273464a_100020643023_100000223495 [0,2,0,0,0,0|1,0,0]=3 11273 B12R0.648 CCCCCN(C)C(=O)NCCF 273464a_100000724931_100000223495 [0,2,0,0,0,0|2,0,0]=4 11274 B12R0.648 CCCCCN(C)C(=O)NCCO 273464a_100000210304_100000223495 [0,2,0,0,0,0|2,0,0]=4 11275 B12R0.648 CCCCN(C)C(=O)CCCCO 1626a_100000207549_100000695505 [0,2,0,0,0,0|2,0,0]=4 11276 B12R0.648 CCCCN(C)C(=O)CCCOC 11a_100000207549_100000741012 [0,2,0,0,0,0|2,0,0]=4 11277 B12R0.648 CCCCN(C)C(=O)CCCOC 1626a_100000207549_100000741012 [0,2,0,0,0,0|2,0,0]=4 11278 B12R0.648 CCCCN(C)C(=O)CCCOC 240690a_100000207549_100000741012 [0,2,0,0,0,0|2,0,0]=4 11279 B12R0.648 CCCCN(C)C(=O)CCCOC 527a_100000207549_100000741012 [0,2,0,0,0,0|2,0,0]=4 11280 B12R0.648 CCCCN(C)C(=O)CCCSC 11a_100000207549_100000173376 [0,2,0,0,0,0|2,0,0]=4 11281 B12R0.648 CCCCN(C)C(=O)CCCSC 1626a_100000207549_100000173376 [0,2,0,0,0,0|2,0,0]=4 11282 B12R0.648 CCCCN(C)C(=O)CCCSC 240690a_100000207549_100000173376 [0,2,0,0,0,0|2,0,0]=4 11283 B12R0.648 CCCCN(C)C(=O)CCCSC 527a_100000207549_100000173376 [0,2,0,0,0,0|2,0,0]=4 11284 B12R0.648 CCCCN(C)C(=O)CCOCC 11a_100000207549_100000749530 [0,2,0,0,0,0|2,0,0]=4 11285 B12R0.648 CCCCN(C)C(=O)CCOCC 1626a_100000207549_100000749530 [0,2,0,0,0,0|2,0,0]=4 11286 B12R0.648 CCCCN(C)C(=O)CCOCC 240690a_100000207549_100000749530 [0,2,0,0,0,0|2,0,0]=4 11287 B12R0.648 CCCCN(C)C(=O)CCOCC 527a_100000207549_100000749530 [0,2,0,0,0,0|2,0,0]=4 11288 B12R0.648 CCCCN(C)C(=O)CCSCC 11a_100000207549_100000230768 [0,2,0,0,0,0|2,0,0]=4 11289 B12R0.648 CCCCN(C)C(=O)CCSCC 1626a_100000207549_100000230768 [0,2,0,0,0,0|2,0,0]=4 11290 B12R0.648 CCCCN(C)C(=O)CCSCC 240690a_100000207549_100000230768 [0,2,0,0,0,0|2,0,0]=4 11291 B12R0.648 CCCCN(C)C(=O)CCSCC 527a_100000207549_100000230768 [0,2,0,0,0,0|2,0,0]=4 11292 B12R0.648 CCCCN(C)C(=O)COCCBr 34a_100000211926_100000230175 [0,2,0,0,0,0|2,0,0]=4 11293 B12R0.648 CCCCN(C)C(=O)COCCC 11a_100000207549_100000745993 [0,2,0,0,0,0|1,0,0]=3 11294 B12R0.648 CCCCN(C)C(=O)COCCC 1626a_100000207549_100000745993 [0,2,0,0,0,0|1,0,0]=3 11295 B12R0.648 CCCCN(C)C(=O)COCCC 240690a_100000207549_100000745993 [0,2,0,0,0,0|1,0,0]=3 11296 B12R0.648 CCCCN(C)C(=O)COCCC 34a_100000210258_100000230175 [0,2,0,0,0,0|1,0,0]=3 11297 B12R0.648 CCCCN(C)C(=O)COCCC 527a_100000207549_100000745993 [0,2,0,0,0,0|1,0,0]=3 11298 B12R0.648 CCCCN(C)C(=O)COCCN 34a_100000210304_100000230175 [0,2,0,0,0,0|2,0,0]=4 11299 B12R0.648 CCCCN(C)C(=O)COCCO 1626a_100000207549_100000708028 [0,2,0,0,0,0|2,0,0]=4 11300 B12R0.648 CCCCN(C)C(=O)COCCO 240690a_100000207549_100000708028 [0,2,0,0,0,0|2,0,0]=4 11301 B12R0.648 CCCCN(C)C(=O)CSCCC 11a_100000207549_100000217233 [0,2,0,0,0,0|1,1,0]=4 11302 B12R0.648 CCCCN(C)C(=O)CSCCC 1626a_100000207549_100000217233 [0,2,0,0,0,0|1,1,0]=4 11303 B12R0.648 CCCCN(C)C(=O)CSCCC 240690a_100000207549_100000217233 [0,2,0,0,0,0|1,1,0]=4 11304 B12R0.648 CCCCN(C)C(=O)CSCCC 527a_100000207549_100000217233 [0,2,0,0,0,0|1,1,0]=4 11305 B12R0.648 CCCCN(C)C(=O)CSCCC 62a_100000210303_100000230175 [0,2,0,0,0,0|1,1,0]=4 11306 B12R0.648 CCCCN(C)C(=O)CSCCC 62a_100000230175_100000210303 [0,2,0,0,0,0|1,1,0]=4 11307 B12R0.648 CCCCN(C)C(=O)NCCCF 2708a_100015189416_100000207549 [0,2,0,0,0,0|2,0,0]=4 11308 B12R0.648 CCCCN(C)C(=O)NCCCF 273464a_100015189416_100000207549 [0,2,0,0,0,0|2,0,0]=4 11309 B12R0.648 CCCCN(C)C(=O)NCCCO 273464a_100000182051_100000207549 [0,2,0,0,0,0|2,0,0]=4 11310 B12R0.648 CCCCN(C)C(=O)NCCOC 273464a_100000209980_100000207549 [0,2,0,0,0,0|2,0,0]=4 11311 B12R0.648 CCCCN(C)C(=O)NCCSC 2708a_100020590264_100000207549 [0,2,0,0,0,0|2,0,0]=4 11312 B12R0.648 CCCCN(C)C(=O)NCCSC 273464a_100020590264_100000207549 [0,2,0,0,0,0|2,0,0]=4 11313 B12R0.648 CCCCNC(=O)C(=O)NCCC 1626a_100000102301_200011297150 [0,2,0,0,0,0|1,0,1]=4 11314 B12R0.648 CCCCNC(=O)C(=O)NCCC 240690a_100000102301_200011297150 [0,2,0,0,0,0|1,0,1]=4 11315 B12R0.648 CCCCNC(=O)C(=O)NCCC 527a_100000102301_200011297150 [0,2,0,0,0,0|1,0,1]=4 11316 B12R0.648 CCCCNC(=O)C(C)CCCC 11a_100000102301_100000725509 [0,2,0,0,0,0|1,0,0]=3 11317 B12R0.648 CCCCNC(=O)C(C)CCCC 1626a_100000102301_100000725509 [0,2,0,0,0,0|1,0,0]=3 11318 B12R0.648 CCCCNC(=O)C(C)CCCC 240690a_100000102301_100000725509 [0,2,0,0,0,0|1,0,0]=3 11319 B12R0.648 CCCCNC(=O)C(C)CCCC 527a_100000102301_100000725509 [0,2,0,0,0,0|1,0,0]=3 11320 B12R0.648 CCCCNC(=O)C(C)OCCBr 34a_100000211926_100000735917 [0,2,0,0,0,0|2,0,0]=4 11321 B12R0.648 CCCCNC(=O)C(C)OCCC 34a_100000210258_100000735917 [0,2,0,0,0,0|1,0,0]=3 11322 B12R0.648 CCCCNC(=O)C(C)OCCN 34a_100000210304_100000735917 [0,2,0,0,0,0|2,0,0]=4 11323 B12R0.648 CCCCNC(=O)C(C)SCCC 62a_100000210303_100000735917 [0,2,0,0,0,0|1,1,0]=4 11324 B12R0.648 CCCCNC(=O)C(C)SCCC 62a_100000735917_100000210303 [0,2,0,0,0,0|1,1,0]=4 11325 B12R0.648 CCCCNC(=O)C(O)CCCC 240690a_100000102301_100000720857 [0,2,0,0,0,0|1,0,0]=3 11326 B12R0.648 CCCCNC(=O)C(O)CCCC 527a_100000102301_100000720857 [0,2,0,0,0,0|1,0,0]=3 11327 B12R0.648 CCCCNC(=O)C(O)CCSC 240690a_100000102301_100000685904 [0,2,0,0,0,0|2,0,0]=4 11328 B12R0.648 CCCCNC(=O)N(C)CCCC 2708a_100000102301_100000207549 [0,2,0,0,0,0|2,0,0]=4 11329 B12R0.648 CCCCNC(=O)N(C)CCCC 273464a_100000102301_100000207549 [0,2,0,0,0,0|2,0,0]=4 11330 B12R0.648 CCCCNC(=O)N(C)CCCO 2708a_100000102301_100000213112 [0,2,0,0,0,0|2,0,0]=4 11331 B12R0.648 CCCCNC(=O)N(C)CCCO 273464a_100000102301_100000213112 [0,2,0,0,0,0|2,0,0]=4 11332 B12R0.648 CCCCNC(=O)N(C)CCOC 2708a_100000102301_100000743101 [0,2,0,0,0,0|2,0,0]=4 11333 B12R0.648 CCCCNC(=O)N(C)CCOC 273464a_100000102301_100000743101 [0,2,0,0,0,0|2,0,0]=4 11334 B12R0.648 CCCCNC(=O)N(C)CCSC 2708a_100000102301_100000686725 [0,2,0,0,0,0|2,0,0]=4 11335 B12R0.648 CCCCNC(=O)N(C)CCSC 273464a_100000102301_100000686725 [0,2,0,0,0,0|2,0,0]=4 11336 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100000102301_100000230305 [0,2,0,0,0,0|1,0,0]=3 11337 B12R0.648 CCCCNC(C)C(=O)NCCC 2230a_100025744714_100000210211 [0,2,0,0,0,0|1,0,0]=3 11338 B12R0.648 CCCCNC(C)C(=O)NCCC 34a_100025744714_100000210210 [0,2,0,0,0,0|1,0,0]=3 11339 B12R0.648 CCCCNC(C)C(=O)NCCC 7a_106832991798_100000230305 [0,2,0,0,0,0|1,0,0]=3 11340 B12R0.648 CCCCNC(C)C(=O)OCCC 2230a_100000102301_100000760410 [0,2,0,0,0,0|0,0,0]=2 11341 B12R0.648 CCCCNC(C)C(=O)OCCC 7a_106832991798_100000760410 [0,2,0,0,0,0|0,0,0]=2 11342 B12R0.648 CCCCOC(=O)C(C)NCCF 34a_100000724931_100000759602 [0,2,0,0,0,0|2,0,0]=4 11343 B12R0.648 CCCCOC(=O)C(C)NCCO 2230a_100016997473_100000759602 [0,2,0,0,0,0|2,0,0]=4 11344 B12R0.648 CCCCOC(=O)C(C)NCCO 34a_100016990907_100000759602 [0,2,0,0,0,0|2,0,0]=4 11345 B12R0.648 CCCCOC(=O)C(C)OCCBr 34a_100000211926_100000759602 [0,2,0,0,0,0|2,0,0]=4 11346 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000038973_100000210303 [0,2,0,0,0,0|1,0,0]=3 11347 B12R0.648 CCCCOC(=O)C(C)OCCC 34a_100000210258_100000759602 [0,2,0,0,0,0|1,0,0]=3 11348 B12R0.648 CCCCOC(=O)C(C)OCCC 7a_100000038973_100000210303 [0,2,0,0,0,0|1,0,0]=3 11349 B12R0.648 CCCCOC(=O)C(C)OCCF 34a_100000038973_100011217306 [0,2,0,0,0,0|2,0,0]=4 11350 B12R0.648 CCCCOC(=O)C(C)OCCF 7a_100000038973_100011217306 [0,2,0,0,0,0|2,0,0]=4 11351 B12R0.648 CCCCOC(=O)C(C)OCCN 34a_100000210304_100000759602 [0,2,0,0,0,0|2,0,0]=4 11352 B12R0.648 CCCCOC(=O)C(C)OCCO 34a_100000038973_100000211926 [0,2,0,0,0,0|2,0,0]=4 11353 B12R0.648 CCCCOC(=O)C(C)OCCO 7a_100000038973_100000211926 [0,2,0,0,0,0|2,0,0]=4 11354 B12R0.648 CCCCOC(=O)C(C)OCSC 34a_100000038973_100011218213 [0,2,0,0,0,0|2,0,0]=4 11355 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000210303_100000759602 [0,2,0,0,0,0|1,0,0]=3 11356 B12R0.648 CCCCOC(=O)C(C)SCCC 62a_100000759602_100000210303 [0,2,0,0,0,0|1,0,0]=3 11357 B12R0.648 CCCCOC(=O)C(C)SCCF 62a_100000759602_100011217306 [0,2,0,0,0,0|2,0,0]=4 11358 B12R0.648 CCCCOC(=O)C(C)SCCF 62a_100011217306_100000759602 [0,2,0,0,0,0|2,0,0]=4 11359 B12R0.648 CCCCOC(=O)C(C)SCCO 62a_100000211926_100000759602 [0,2,0,0,0,0|2,0,0]=4 11360 B12R0.648 CCCCOC(=O)C(C)SCCO 62a_100000759602_100000211926 [0,2,0,0,0,0|2,0,0]=4 11361 B12R0.648 CCCCOC(=O)C(C)SCOC 62a_100000759602_100000766300 [0,2,0,0,0,0|2,0,0]=4 11362 B12R0.648 CCCCOC(=O)C(C)SCOC 62a_100000766300_100000759602 [0,2,0,0,0,0|2,0,0]=4 11363 B12R0.648 CCCCOC(=O)C(C)SCSC 62a_100000759602_100011218213 [0,2,0,0,0,0|2,0,0]=4 11364 B12R0.648 CCCCOC(=O)C(C)SCSC 62a_100011218213_100000759602 [0,2,0,0,0,0|2,0,0]=4 11365 B12R0.648 CCCCOC(C)C(=O)NCCC 34a_100000210227_100000230305 [0,2,0,0,0,0|1,0,0]=3 11366 B12R0.648 CCCCOC(C)C(=O)NCCC 7a_100000210227_100000230305 [0,2,0,0,0,0|1,0,0]=3 11367 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000037348_100000210210 [0,2,0,0,0,0|0,0,0]=2 11368 B12R0.648 CCCCOC(C)C(=O)OCCC 34a_100000210227_100000760410 [0,2,0,0,0,0|0,0,0]=2 11369 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000037348_100000210211 [0,2,0,0,0,0|0,0,0]=2 11370 B12R0.648 CCCCOC(C)C(=O)OCCC 7a_100000210227_100000760410 [0,2,0,0,0,0|0,0,0]=2 11371 B12R0.648 CCCCSC(C)C(=O)CCCC 1458a_100000191163_100000210211 [0,2,0,0,0,0|1,0,0]=3 11372 B12R0.648 CCCCSC(C)C(=O)CCCF 1458a_100000191163_100011934791 [0,2,0,0,0,0|2,0,0]=4 11373 B12R0.648 CCCCSC(C)C(=O)CCCO 1458a_100000191163_100011215043 [0,2,0,0,0,0|2,0,0]=4 11374 B12R0.648 CCCCSC(C)C(=O)CCOC 1458a_100000191163_100000233755 [0,2,0,0,0,0|2,0,0]=4 11375 B12R0.648 CCCCSC(C)C(=O)CCSC 1458a_100000191163_100000751147 [0,2,0,0,0,0|2,0,0]=4 11376 B12R0.648 CCCCSC(C)C(=O)NCCC 11a_100020643023_100000191163 [0,2,0,0,0,0|1,0,0]=3 11377 B12R0.648 CCCCSC(C)C(=O)NCCC 1626a_100020643023_100000191163 [0,2,0,0,0,0|1,0,0]=3 11378 B12R0.648 CCCCSC(C)C(=O)NCCC 240690a_100020643023_100000191163 [0,2,0,0,0,0|1,0,0]=3 11379 B12R0.648 CCCCSC(C)C(=O)NCCC 527a_100020643023_100000191163 [0,2,0,0,0,0|1,0,0]=3 11380 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000210211_100000230305 [0,2,0,0,0,0|1,0,0]=3 11381 B12R0.648 CCCCSC(C)C(=O)NCCC 62a_100000230305_100000210210 [0,2,0,0,0,0|1,0,0]=3 11382 B12R0.648 CCCCSC(C)C(=O)NCCF 11a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 11383 B12R0.648 CCCCSC(C)C(=O)NCCF 1626a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 11384 B12R0.648 CCCCSC(C)C(=O)NCCF 240690a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 11385 B12R0.648 CCCCSC(C)C(=O)NCCF 527a_100000724931_100000191163 [0,2,0,0,0,0|2,0,0]=4 11386 B12R0.648 CCCCSC(C)C(=O)NCCO 240690a_100000210304_100000191163 [0,2,0,0,0,0|2,0,0]=4 11387 B12R0.648 CCCCSC(C)C(=O)NCCO 527a_100000210304_100000191163 [0,2,0,0,0,0|2,0,0]=4 11388 B12R0.648 CCCCSC(C)C(=O)NNCC 22a_100000756455_100000191163 [0,2,0,0,0,0|2,0,0]=4 11389 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000210211_100000760410 [0,2,0,0,0,0|0,0,0]=2 11390 B12R0.648 CCCCSC(C)C(=O)OCCC 62a_100000760410_100000210210 [0,2,0,0,0,0|0,0,0]=2 11391 B12R0.648 CCCNC(=O)C(=O)CCCCF 1458a_200011297150_100000729493 [0,2,0,0,0,0|1,0,1]=4 11392 B12R0.648 CCCNC(=O)C(=O)CCCCO 1458a_200011297150_100000210776 [0,2,0,0,0,0|1,0,1]=4 11393 B12R0.648 CCCNC(=O)C(=O)CCCOC 1458a_200011297150_100000740836 [0,2,0,0,0,0|1,0,1]=4 11394 B12R0.648 CCCNC(=O)C(=O)CCOCC 1458a_200011297150_100011215890 [0,2,0,0,0,0|1,0,1]=4 11395 B12R0.648 CCCNC(=O)C(=O)CCSCC 1458a_200011297150_100000757381 [0,2,0,0,0,0|1,0,1]=4 11396 B12R0.648 CCCNC(=O)C(C)NCCCF 2230a_100015189416_100000230305 [0,2,0,0,0,0|2,0,0]=4 11397 B12R0.648 CCCNC(=O)C(C)NCCCF 2230a_100025744714_100011934791 [0,2,0,0,0,0|2,0,0]=4 11398 B12R0.648 CCCNC(=O)C(C)NCCCF 34a_100015189416_100000230305 [0,2,0,0,0,0|2,0,0]=4 11399 B12R0.648 CCCNC(=O)C(C)NCCCF 34a_100025744714_100011934791 [0,2,0,0,0,0|2,0,0]=4 11400 B12R0.648 CCCNC(=O)C(C)NCCCO 2230a_100025744714_100000230001 [0,2,0,0,0,0|2,0,0]=4 11401 B12R0.648 CCCNC(=O)C(C)NCCCO 34a_100025744714_100000230001 [0,2,0,0,0,0|2,0,0]=4 11402 B12R0.648 CCCNC(=O)C(C)NCCOC 2230a_100000209980_100000230305 [0,2,0,0,0,0|2,0,0]=4 11403 B12R0.648 CCCNC(=O)C(C)NCCOC 2230a_100025744714_100011201679 [0,2,0,0,0,0|2,0,0]=4 11404 B12R0.648 CCCNC(=O)C(C)NCCOC 34a_100025744714_100011201679 [0,2,0,0,0,0|2,0,0]=4 11405 B12R0.648 CCCNC(=O)C(C)NCCSC 2230a_100020590264_100000230305 [0,2,0,0,0,0|2,0,0]=4 11406 B12R0.648 CCCNC(=O)C(C)NCCSC 2230a_100025744714_100000751147 [0,2,0,0,0,0|2,0,0]=4 11407 B12R0.648 CCCNC(=O)C(C)NCCSC 34a_100025744714_100000212216 [0,2,0,0,0,0|2,0,0]=4 11408 B12R0.648 CCCNC(=O)C(C)OCCCBr 34a_100011217188_100000230305 [0,2,0,0,0,0|2,0,0]=4 11409 B12R0.648 CCCNC(=O)C(C)OCCCCl 34a_100000230001_100000230305 [0,2,0,0,0,0|2,0,0]=4 11410 B12R0.648 CCCNC(=O)C(C)OCCCF 34a_100000759539_100000230305 [0,2,0,0,0,0|2,0,0]=4 11411 B12R0.648 CCCNC(=O)C(C)OCCCN 34a_100000182051_100000230305 [0,2,0,0,0,0|2,0,0]=4 11412 B12R0.648 CCCNC(=O)C(C)OCCOC 34a_100000210237_100000230305 [0,2,0,0,0,0|2,0,0]=4 11413 B12R0.648 CCCNC(=O)C(C)OCCSC 34a_100000230434_100000230305 [0,2,0,0,0,0|2,0,0]=4 11414 B12R0.648 CCCNC(=O)C(C)OCCSC 7a_100000230434_100000230305 [0,2,0,0,0,0|2,0,0]=4 11415 B12R0.648 CCCNC(=O)C(C)SCCCF 62a_100000230305_100011934791 [0,2,0,0,0,0|2,0,0]=4 11416 B12R0.648 CCCNC(=O)C(C)SCCCF 62a_100011934791_100000230305 [0,2,0,0,0,0|2,0,0]=4 11417 B12R0.648 CCCNC(=O)C(C)SCCCO 62a_100000230305_100011215043 [0,2,0,0,0,0|2,0,0]=4 11418 B12R0.648 CCCNC(=O)C(C)SCCCO 62a_100011215043_100000230305 [0,2,0,0,0,0|2,0,0]=4 11419 B12R0.648 CCCNC(=O)C(C)SCCOC 62a_100000230305_100000233755 [0,2,0,0,0,0|2,0,0]=4 11420 B12R0.648 CCCNC(=O)C(C)SCCOC 62a_100000233755_100000230305 [0,2,0,0,0,0|2,0,0]=4 11421 B12R0.648 CCCNC(=O)C(C)SCCSC 62a_100000212216_100000230305 [0,2,0,0,0,0|2,0,0]=4 11422 B12R0.648 CCCNC(=O)C(C)SCCSC 62a_100000230305_100000751147 [0,2,0,0,0,0|2,0,0]=4 11423 B12R0.648 CCCNC(=O)C(C)SCOCC 62a_100000230305_100000739092 [0,2,0,0,0,0|2,0,0]=4 11424 B12R0.648 CCCNC(=O)C(C)SCOCC 62a_100000739092_100000230305 [0,2,0,0,0,0|2,0,0]=4 11425 B12R0.648 CCCNC(=O)N(C)CCCCO 2708a_100020643023_100000717598 [0,2,0,0,0,0|2,0,0]=4 11426 B12R0.648 CCCNC(=O)N(C)CCCCO 273464a_100020643023_100000717598 [0,2,0,0,0,0|2,0,0]=4 11427 B12R0.648 CCCNC(=O)N(C)CCCOC 2708a_100020643023_100000224831 [0,2,0,0,0,0|2,0,0]=4 11428 B12R0.648 CCCNC(=O)N(C)CCCOC 273464a_100020643023_100000224831 [0,2,0,0,0,0|2,0,0]=4 11429 B12R0.648 CCCNN=C(C)C(=O)OCCC 4a_100000740057_100010632825 [0,2,0,0,0,0|1,0,1]=4 11430 B12R0.648 CCCNNC(=O)C(O)CCSC 22a_100000740057_100000685904 [0,2,0,0,0,0|2,0,0]=4 11431 B12R0.648 CCCOC(=O)C(C)NCCCF 2230a_100015189416_100000760410 [0,2,0,0,0,0|1,0,0]=3 11432 B12R0.648 CCCOC(=O)C(C)NCCCF 34a_100015189416_100000760410 [0,2,0,0,0,0|1,0,0]=3 11433 B12R0.648 CCCOC(=O)C(C)NCCOC 2230a_100000209980_100000760410 [0,2,0,0,0,0|1,0,0]=3 11434 B12R0.648 CCCOC(=O)C(C)NCCSC 2230a_100020590264_100000760410 [0,2,0,0,0,0|1,0,0]=3 11435 B12R0.648 CCCOC(=O)C(C)OCCC#N 7a_100000037348_100000184422 [0,2,0,0,0,0|1,0,1]=4 11436 B12R0.648 CCCOC(=O)C(C)OCCCBr 34a_100011217188_100000760410 [0,2,0,0,0,0|1,0,0]=3 11437 B12R0.648 CCCOC(=O)C(C)OCCCCl 34a_100000230001_100000760410 [0,2,0,0,0,0|1,0,0]=3 11438 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000037348_100011934791 [0,2,0,0,0,0|1,0,0]=3 11439 B12R0.648 CCCOC(=O)C(C)OCCCF 34a_100000759539_100000760410 [0,2,0,0,0,0|1,0,0]=3 11440 B12R0.648 CCCOC(=O)C(C)OCCCF 7a_100000037348_100011934791 [0,2,0,0,0,0|1,0,0]=3 11441 B12R0.648 CCCOC(=O)C(C)OCCCN 34a_100000182051_100000760410 [0,2,0,0,0,0|1,0,0]=3 11442 B12R0.648 CCCOC(=O)C(C)OCCCO 34a_100000037348_100000230001 [0,2,0,0,0,0|1,0,0]=3 11443 B12R0.648 CCCOC(=O)C(C)OCCCO 7a_100000037348_100011215043 [0,2,0,0,0,0|1,0,0]=3 11444 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000037348_100011201679 [0,2,0,0,0,0|1,0,0]=3 11445 B12R0.648 CCCOC(=O)C(C)OCCOC 34a_100000210237_100000760410 [0,2,0,0,0,0|1,0,0]=3 11446 B12R0.648 CCCOC(=O)C(C)OCCOC 7a_100000037348_100000233755 [0,2,0,0,0,0|1,0,0]=3 11447 B12R0.648 CCCOC(=O)C(C)OCCON 34a_100000700252_100000760410 [0,2,0,0,0,0|2,0,0]=4 11448 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000037348_100000212216 [0,2,0,0,0,0|1,0,0]=3 11449 B12R0.648 CCCOC(=O)C(C)OCCSC 34a_100000230434_100000760410 [0,2,0,0,0,0|1,0,0]=3 11450 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000037348_100000212216 [0,2,0,0,0,0|1,0,0]=3 11451 B12R0.648 CCCOC(=O)C(C)OCCSC 7a_100000230434_100000760410 [0,2,0,0,0,0|1,0,0]=3 11452 B12R0.648 CCCOC(=O)C(C)SCCC#N 62a_100000760410_100011215226 [0,2,0,0,0,0|1,0,1]=4 11453 B12R0.648 CCCOC(=O)C(C)SCCC#N 62a_100011215226_100000760410 [0,2,0,0,0,0|1,0,1]=4 11454 B12R0.648 CCCOC(=O)C(C)SCCCF 62a_100000760410_100011934791 [0,2,0,0,0,0|1,0,0]=3 11455 B12R0.648 CCCOC(=O)C(C)SCCCF 62a_100011934791_100000760410 [0,2,0,0,0,0|1,0,0]=3 11456 B12R0.648 CCCOC(=O)C(C)SCCCO 62a_100000760410_100011215043 [0,2,0,0,0,0|1,0,0]=3 11457 B12R0.648 CCCOC(=O)C(C)SCCCO 62a_100011215043_100000760410 [0,2,0,0,0,0|1,0,0]=3 11458 B12R0.648 CCCOC(=O)C(C)SCCOC 62a_100000233755_100000760410 [0,2,0,0,0,0|1,0,0]=3 11459 B12R0.648 CCCOC(=O)C(C)SCCOC 62a_100000760410_100000233755 [0,2,0,0,0,0|1,0,0]=3 11460 B12R0.648 CCCOC(=O)C(C)SCCSC 62a_100000212216_100000760410 [0,2,0,0,0,0|1,0,0]=3 11461 B12R0.648 CCCOC(=O)C(C)SCCSC 62a_100000760410_100000751147 [0,2,0,0,0,0|1,0,0]=3 11462 B12R0.648 CCCOC(=O)C(C)SCOCC 62a_100000739092_100000760410 [0,2,0,0,0,0|1,0,0]=3 11463 B12R0.648 CCCOC(=O)C(C)SCOCC 62a_100000760410_100000739092 [0,2,0,0,0,0|1,0,0]=3 11464 B12R0.648 CCCOCC(=O)N(C)CCCO 240690a_100000213112_100000745993 [0,2,0,0,0,0|2,0,0]=4 11465 B12R0.648 CCCOCC(=O)N(C)CCCO 527a_100000213112_100000745993 [0,2,0,0,0,0|2,0,0]=4 11466 B12R0.648 CCCOCC(=O)N(C)CCOC 11a_100000743101_100000745993 [0,2,0,0,0,0|2,0,0]=4 11467 B12R0.648 CCCOCC(=O)N(C)CCOC 1626a_100000743101_100000745993 [0,2,0,0,0,0|2,0,0]=4 11468 B12R0.648 CCCOCC(=O)N(C)CCOC 240690a_100000743101_100000745993 [0,2,0,0,0,0|2,0,0]=4 11469 B12R0.648 CCCOCC(=O)N(C)CCOC 527a_100000743101_100000745993 [0,2,0,0,0,0|2,0,0]=4 11470 B12R0.648 CCCOCC(=O)N(C)CCSC 11a_100000686725_100000745993 [0,2,0,0,0,0|2,0,0]=4 11471 B12R0.648 CCCOCC(=O)N(C)CCSC 1626a_100000686725_100000745993 [0,2,0,0,0,0|2,0,0]=4 11472 B12R0.648 CCCOCC(=O)N(C)CCSC 240690a_100000686725_100000745993 [0,2,0,0,0,0|2,0,0]=4 11473 B12R0.648 CCCOCC(=O)N(C)CCSC 527a_100000686725_100000745993 [0,2,0,0,0,0|2,0,0]=4 11474 B12R0.648 CCCSC(C)C(=O)NCCOC 62a_100000210303_100000230274 [0,2,0,0,0,0|2,0,0]=4 11475 B12R0.648 CCCSC(C)C(=O)NCCOC 62a_100000230274_100000210303 [0,2,0,0,0,0|2,0,0]=4 11476 B12R0.648 CCCSCC(=O)N(C)CCCO 240690a_100000213112_100000217233 [0,2,0,0,0,0|2,0,0]=4 11477 B12R0.648 CCCSCC(=O)N(C)CCCO 527a_100000213112_100000217233 [0,2,0,0,0,0|2,0,0]=4 11478 B12R0.648 CCCSCC(=O)N(C)CCOC 11a_100000743101_100000217233 [0,2,0,0,0,0|2,0,0]=4 11479 B12R0.648 CCCSCC(=O)N(C)CCOC 1626a_100000743101_100000217233 [0,2,0,0,0,0|2,0,0]=4 11480 B12R0.648 CCCSCC(=O)N(C)CCOC 240690a_100000743101_100000217233 [0,2,0,0,0,0|2,0,0]=4 11481 B12R0.648 CCCSCC(=O)N(C)CCOC 527a_100000743101_100000217233 [0,2,0,0,0,0|2,0,0]=4 11482 B12R0.648 CCCSCC(=O)N(C)CCSC 11a_100000686725_100000217233 [0,2,0,0,0,0|2,0,0]=4 11483 B12R0.648 CCCSCC(=O)N(C)CCSC 1626a_100000686725_100000217233 [0,2,0,0,0,0|2,0,0]=4 11484 B12R0.648 CCCSCC(=O)N(C)CCSC 240690a_100000686725_100000217233 [0,2,0,0,0,0|2,0,0]=4 11485 B12R0.648 CCCSCC(=O)N(C)CCSC 527a_100000686725_100000217233 [0,2,0,0,0,0|2,0,0]=4 11486 B12R0.648 CCOCCC(=O)C(O)CCSC 1458a_100000685904_100011215890 [0,2,0,0,0,0|2,0,0]=4 11487 B12R0.648 CCOCCC(=O)N(C)CCCO 240690a_100000213112_100000749530 [0,2,0,0,0,0|2,0,0]=4 11488 B12R0.648 CCOCCC(=O)N(C)CCCO 527a_100000213112_100000749530 [0,2,0,0,0,0|2,0,0]=4 11489 B12R0.648 CCOCCC(=O)N(C)CCOC 11a_100000743101_100000749530 [0,2,0,0,0,0|2,0,0]=4 11490 B12R0.648 CCOCCC(=O)N(C)CCOC 1626a_100000743101_100000749530 [0,2,0,0,0,0|2,0,0]=4 11491 B12R0.648 CCOCCC(=O)N(C)CCOC 240690a_100000743101_100000749530 [0,2,0,0,0,0|2,0,0]=4 11492 B12R0.648 CCOCCC(=O)N(C)CCOC 527a_100000743101_100000749530 [0,2,0,0,0,0|2,0,0]=4 11493 B12R0.648 CCOCCC(=O)N(C)CCSC 11a_100000686725_100000749530 [0,2,0,0,0,0|2,0,0]=4 11494 B12R0.648 CCOCCC(=O)N(C)CCSC 1626a_100000686725_100000749530 [0,2,0,0,0,0|2,0,0]=4 11495 B12R0.648 CCOCCC(=O)N(C)CCSC 240690a_100000686725_100000749530 [0,2,0,0,0,0|2,0,0]=4 11496 B12R0.648 CCOCCC(=O)N(C)CCSC 527a_100000686725_100000749530 [0,2,0,0,0,0|2,0,0]=4 11497 B12R0.648 CCSCCC(=O)C(O)CCSC 1458a_100000685904_100000757381 [0,2,0,0,0,0|2,0,0]=4 11498 B12R0.648 CCSCCC(=O)N(C)CCCO 240690a_100000213112_100000230768 [0,2,0,0,0,0|2,0,0]=4 11499 B12R0.648 CCSCCC(=O)N(C)CCCO 527a_100000213112_100000230768 [0,2,0,0,0,0|2,0,0]=4 11500 B12R0.648 CCSCCC(=O)N(C)CCOC 11a_100000743101_100000230768 [0,2,0,0,0,0|2,0,0]=4 11501 B12R0.648 CCSCCC(=O)N(C)CCOC 1626a_100000743101_100000230768 [0,2,0,0,0,0|2,0,0]=4 11502 B12R0.648 CCSCCC(=O)N(C)CCOC 240690a_100000743101_100000230768 [0,2,0,0,0,0|2,0,0]=4 11503 B12R0.648 CCSCCC(=O)N(C)CCOC 527a_100000743101_100000230768 [0,2,0,0,0,0|2,0,0]=4 11504 B12R0.648 CCSCCC(=O)N(C)CCSC 11a_100000686725_100000230768 [0,2,0,0,0,0|2,0,0]=4 11505 B12R0.648 CCSCCC(=O)N(C)CCSC 1626a_100000686725_100000230768 [0,2,0,0,0,0|2,0,0]=4 11506 B12R0.648 CCSCCC(=O)N(C)CCSC 240690a_100000686725_100000230768 [0,2,0,0,0,0|2,0,0]=4 11507 B12R0.648 CCSCCC(=O)N(C)CCSC 527a_100000686725_100000230768 [0,2,0,0,0,0|2,0,0]=4 11508 B12R0.648 COCCCC(=O)C(O)CCSC 1458a_100000685904_100000740836 [0,2,0,0,0,0|2,0,0]=4 11509 B12R0.648 COCCCC(=O)N(C)CCCO 240690a_100000213112_100000741012 [0,2,0,0,0,0|2,0,0]=4 11510 B12R0.648 COCCCC(=O)N(C)CCCO 527a_100000213112_100000741012 [0,2,0,0,0,0|2,0,0]=4 11511 B12R0.648 COCCCC(=O)N(C)CCOC 11a_100000743101_100000741012 [0,2,0,0,0,0|2,0,0]=4 11512 B12R0.648 COCCCC(=O)N(C)CCOC 1626a_100000743101_100000741012 [0,2,0,0,0,0|2,0,0]=4 11513 B12R0.648 COCCCC(=O)N(C)CCOC 240690a_100000743101_100000741012 [0,2,0,0,0,0|2,0,0]=4 11514 B12R0.648 COCCCC(=O)N(C)CCOC 527a_100000743101_100000741012 [0,2,0,0,0,0|2,0,0]=4 11515 B12R0.648 COCCCC(=O)N(C)CCSC 11a_100000686725_100000741012 [0,2,0,0,0,0|2,0,0]=4 11516 B12R0.648 COCCCC(=O)N(C)CCSC 1626a_100000686725_100000741012 [0,2,0,0,0,0|2,0,0]=4 11517 B12R0.648 COCCCC(=O)N(C)CCSC 240690a_100000686725_100000741012 [0,2,0,0,0,0|2,0,0]=4 11518 B12R0.648 COCCCC(=O)N(C)CCSC 527a_100000686725_100000741012 [0,2,0,0,0,0|2,0,0]=4 11519 B12R0.648 COCCN(C)C(=O)CCCCO 1626a_100000743101_100000695505 [0,2,0,0,0,0|2,0,0]=4 11520 B12R0.648 COCCN(C)C(=O)CCCSC 11a_100000743101_100000173376 [0,2,0,0,0,0|2,0,0]=4 11521 B12R0.648 COCCN(C)C(=O)CCCSC 1626a_100000743101_100000173376 [0,2,0,0,0,0|2,0,0]=4 11522 B12R0.648 COCCN(C)C(=O)CCCSC 240690a_100000743101_100000173376 [0,2,0,0,0,0|2,0,0]=4 11523 B12R0.648 COCCN(C)C(=O)CCCSC 527a_100000743101_100000173376 [0,2,0,0,0,0|2,0,0]=4 11524 B12R0.648 COCCNC(=O)C(O)CCSC 240690a_100000209980_100000685904 [0,2,0,0,0,0|2,0,0]=4 11525 B12R0.648 CSCCC(O)C(=O)CCCCF 1458a_100000685904_100000729493 [0,2,0,0,0,0|2,0,0]=4 11526 B12R0.648 CSCCC(O)C(=O)CCCCO 1458a_100000685904_100000210776 [0,2,0,0,0,0|2,0,0]=4 11527 B12R0.648 CSCCC(O)C(=O)NCCCF 240690a_100015189416_100000685904 [0,2,0,0,0,0|2,0,0]=4 11528 B12R0.648 CSCCC(O)C(=O)NCCCO 240690a_100000182051_100000685904 [0,2,0,0,0,0|2,0,0]=4 11529 B12R0.648 CSCCCC(=O)N(C)CCCO 240690a_100000213112_100000173376 [0,2,0,0,0,0|2,0,0]=4 11530 B12R0.648 CSCCCC(=O)N(C)CCCO 527a_100000213112_100000173376 [0,2,0,0,0,0|2,0,0]=4 11531 B12R0.648 CSCCCC(=O)N(C)CCSC 11a_100000686725_100000173376 [0,2,0,0,0,0|2,0,0]=4 11532 B12R0.648 CSCCCC(=O)N(C)CCSC 1626a_100000686725_100000173376 [0,2,0,0,0,0|2,0,0]=4 11533 B12R0.648 CSCCCC(=O)N(C)CCSC 240690a_100000686725_100000173376 [0,2,0,0,0,0|2,0,0]=4 11534 B12R0.648 CSCCCC(=O)N(C)CCSC 527a_100000686725_100000173376 [0,2,0,0,0,0|2,0,0]=4 11535 B12R0.648 CSCCN(C)C(=O)CCCCO 1626a_100000686725_100000695505 [0,2,0,0,0,0|2,0,0]=4 11536 B12R0.648 CSCCNC(=O)C(O)CCSC 240690a_100020590264_100000685904 [0,2,0,0,0,0|2,0,0]=4 11537 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_100011216857_100000730704 [0,2,0,0,0,0|1,0,1]=4 11538 B12R0.44 C=C(C)CCC(=O)CCCC(C)C 1458a_200000688413_100011214892 [0,2,0,0,0,0|1,0,1]=4 11539 B12R0.44 C=C(C)CCC(=O)CCCC(C)O 1458a_200000688413_200000718107 [0,2,0,0,0,0|1,0,1]=4 11540 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 11a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 11541 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 1626a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 11542 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 240690a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 11543 B12R0.44 C=C(C)CNC(=O)CCCC(C)C 527a_100000765925_100011216857 [0,2,0,0,0,0|1,0,1]=4 11544 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 1626a_100000765925_100000761597 [0,2,0,0,0,0|1,0,1]=4 11545 B12R0.44 C=C(C)CNC(=O)CCCC(C)O 527a_100000765925_100000761597 [0,2,0,0,0,0|1,0,1]=4 11546 B12R0.44 CC(=O)CCCC(=O)CCC(C)C 1458a_100000181311_100011215641 [0,2,0,0,0,0|1,0,1]=4 11547 B12R0.44 CC(=O)CCCC(=O)NCC(C)C 1458a_100000070787_100011194448 [0,2,0,0,0,0|1,0,1]=4 11548 B12R0.44 CC(C)C=CC(=O)CCCC(C)C 1458a_100016268746_100011214892 [0,2,0,0,0,0|1,0,1]=4 11549 B12R0.44 CC(C)C=CC(=O)CCCC(C)O 1458a_100016268746_200000718107 [0,2,0,0,0,0|1,0,1]=4 11550 B12R0.44 CC(C)CCC(=O)CCCC(C)O 1458a_100000181311_200000718107 [0,2,0,0,0,0|1,0,0]=3 11551 B12R0.44 CC(C)CCC(=O)CCCN(C)C 1458a_100000181311_100000695564 [0,2,0,0,0,0|2,0,0]=4 11552 B12R0.44 CC(C)CCC(=O)CCOC(C)C 1458a_100000181311_100000211751 [0,2,0,0,0,0|2,0,0]=4 11553 B12R0.44 CC(C)CCC(=O)CCSC(C)C 1458a_100000181311_100000730970 [0,2,0,0,0,0|2,0,0]=4 11554 B12R0.44 CC(C)CCC(=O)COCC(C)C 1458a_100011223364_100000210312 [0,2,0,0,0,0|2,0,0]=4 11555 B12R0.44 CC(C)CCC(=O)NCCC(C)O 240690a_200000755665_100000181311 [0,2,0,0,0,0|2,0,0]=4 11556 B12R0.44 CC(C)CCC(=O)NCCC(C)O 527a_200000755665_100000181311 [0,2,0,0,0,0|2,0,0]=4 11557 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100000181311_100011214892 [0,2,0,0,0,0|1,0,0]=3 11558 B12R0.44 CC(C)CCCC(=O)CCC(C)C 1458a_100011216857_100000210312 [0,2,0,0,0,0|1,0,0]=3 11559 B12R0.44 CC(C)CCCC(=O)CCC(C)O 1458a_100011216857_100012276601 [0,2,0,0,0,0|1,0,0]=3 11560 B12R0.44 CC(C)CCCC(=O)CC[S+](C)C 1458a_100009452791_100011214892 [0,2,0,0,0,0|2,0,0]=4 11561 B12R0.44 CC(C)CCCC(=O)COC(C)C 1458a_100000745533_100011214892 [0,2,0,0,0,0|2,0,0]=4 11562 B12R0.44 CC(C)CCCC(=O)CSC(C)C 1458a_100000241585_100011214892 [0,2,0,0,0,0|2,0,0]=4 11563 B12R0.44 CC(C)CCCC(=O)NCC(C)C 11a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 11564 B12R0.44 CC(C)CCCC(=O)NCC(C)C 1626a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 11565 B12R0.44 CC(C)CCCC(=O)NCC(C)C 240690a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 11566 B12R0.44 CC(C)CCCC(=O)NCC(C)C 527a_100000210953_100011216857 [0,2,0,0,0,0|1,0,0]=3 11567 B12R0.44 CC(C)CCCC(=O)NCC(C)O 11a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 11568 B12R0.44 CC(C)CCCC(=O)NCC(C)O 240690a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 11569 B12R0.44 CC(C)CCCC(=O)NCC(C)O 527a_100000210904_100011216857 [0,2,0,0,0,0|1,0,0]=3 11570 B12R0.44 CC(C)CCCC(=O)NCC(F)F 11a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 11571 B12R0.44 CC(C)CCCC(=O)NCC(F)F 1626a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 11572 B12R0.44 CC(C)CCCC(=O)NCC(F)F 240690a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 11573 B12R0.44 CC(C)CCCC(=O)NCC(F)F 527a_100000765723_100011216857 [0,2,0,0,0,0|2,0,0]=4 11574 B12R0.44 CC(C)CCCC(=O)NNC(C)C 22a_100000741168_100011216857 [0,2,0,0,0,0|2,0,0]=4 11575 B12R0.44 CC(C)CCCC(C)OCC(C)C 34a_200011218570_100000210624 [0,2,0,0,0,0|1,0,1]=4 11576 B12R0.44 CC(C)CCCC(C)OCC(C)C 7a_200011218570_100000210760 [0,2,0,0,0,0|1,0,1]=4 11577 B12R0.44 CC(C)CCCC(C)OCC(C)O 34a_200011218570_100011218427 [0,2,0,0,0,0|1,0,1]=4 11578 B12R0.44 CC(C)CCCC(C)OCC(C)O 7a_200011218570_100011218427 [0,2,0,0,0,0|1,0,1]=4 11579 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 34a_200011218570_100009817552 [0,2,0,0,0,0|1,0,1]=4 11580 B12R0.44 CC(C)CCCC(C)OC[C@@H](C)O 7a_200011218570_100009817552 [0,2,0,0,0,0|1,0,1]=4 11581 B12R0.44 CC(C)CCNC(=O)CCC(C)C 11a_100000210545_100000181311 [0,2,0,0,0,0|2,0,0]=4 11582 B12R0.44 CC(C)CCNC(=O)CCC(C)C 1626a_100000210545_100000181311 [0,2,0,0,0,0|2,0,0]=4 11583 B12R0.44 CC(C)CCNC(=O)CCC(C)C 240690a_100000210545_100000181311 [0,2,0,0,0,0|2,0,0]=4 11584 B12R0.44 CC(C)CCNC(=O)CCC(C)C 527a_100000210545_100000181311 [0,2,0,0,0,0|2,0,0]=4 11585 B12R0.44 CC(C)CCNC(=O)CCC(C)O 1626a_100000210545_100000718519 [0,2,0,0,0,0|2,0,0]=4 11586 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210545_100000210953 [0,2,0,0,0,0|2,0,0]=4 11587 B12R0.44 CC(C)CCNC(=O)NCC(C)C 2708a_100000210953_100000210545 [0,2,0,0,0,0|2,0,0]=4 11588 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210545_100000210953 [0,2,0,0,0,0|2,0,0]=4 11589 B12R0.44 CC(C)CCNC(=O)NCC(C)C 273464a_100000210953_100000210545 [0,2,0,0,0,0|2,0,0]=4 11590 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210545_100000210953 [0,2,0,0,0,0|2,0,0]=4 11591 B12R0.44 CC(C)CCNC(=O)NCC(C)C 512a_100000210953_100000210545 [0,2,0,0,0,0|2,0,0]=4 11592 B12R0.44 CC(C)CCNC(=O)NCC(C)O 2708a_100000210545_100000210904 [0,2,0,0,0,0|2,0,0]=4 11593 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210545_100000210904 [0,2,0,0,0,0|2,0,0]=4 11594 B12R0.44 CC(C)CCNC(=O)NCC(C)O 273464a_100000210904_100000210545 [0,2,0,0,0,0|2,0,0]=4 11595 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210545_100000210904 [0,2,0,0,0,0|2,0,0]=4 11596 B12R0.44 CC(C)CCNC(=O)NCC(C)O 512a_100000210904_100000210545 [0,2,0,0,0,0|2,0,0]=4 11597 B12R0.44 CC(C)CNC(=O)CCCC(C)O 1626a_100000210953_100000761597 [0,2,0,0,0,0|1,0,0]=3 11598 B12R0.44 CC(C)CNC(=O)CCCC(C)O 527a_100000210953_100000761597 [0,2,0,0,0,0|1,0,0]=3 11599 B12R0.44 CC(C)CNC(=O)CCCN(C)C 11a_100000210953_100000740757 [0,2,0,0,0,0|2,0,0]=4 11600 B12R0.44 CC(C)CNC(=O)CCCN(C)C 2230a_100102631434_100011194448 [0,2,0,0,0,0|2,0,0]=4 11601 B12R0.44 CC(C)CNC(=O)CCCN(C)C 240690a_100000210953_100000740757 [0,2,0,0,0,0|2,0,0]=4 11602 B12R0.44 CC(C)CNC(=O)CCCN(C)C 269982a_100102631434_100011194448 [0,2,0,0,0,0|2,0,0]=4 11603 B12R0.44 CC(C)CNC(=O)CNCC(C)O 2230a_100000210904_100000183291 [0,2,0,0,0,0|2,0,0]=4 11604 B12R0.44 CC(C)CNC(=O)CNCC(C)O 34a_100000210904_100000183291 [0,2,0,0,0,0|2,0,0]=4 11605 B12R0.44 CC(C)CNC(=O)COCC(C)Br 34a_100012180447_100000183291 [0,2,0,0,0,0|2,0,0]=4 11606 B12R0.44 CC(C)CNC(=O)COCC(C)C 11a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 11607 B12R0.44 CC(C)CNC(=O)COCC(C)C 1626a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 11608 B12R0.44 CC(C)CNC(=O)COCC(C)C 240690a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 11609 B12R0.44 CC(C)CNC(=O)COCC(C)C 34a_100000210257_100000183291 [0,2,0,0,0,0|2,0,0]=4 11610 B12R0.44 CC(C)CNC(=O)COCC(C)C 527a_100000210953_100011223364 [0,2,0,0,0,0|2,0,0]=4 11611 B12R0.44 CC(C)CNC(=O)COCC(C)F 34a_100015925927_100000183291 [0,2,0,0,0,0|2,0,0]=4 11612 B12R0.44 CC(C)CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183291 [0,2,0,0,0,0|2,0,0]=4 11613 B12R0.44 CC(C)CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183291 [0,2,0,0,0,0|2,0,0]=4 11614 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000183291_100000210760 [0,2,0,0,0,0|2,0,0]=4 11615 B12R0.44 CC(C)CNC(=O)CSCC(C)C 62a_100000210624_100000183291 [0,2,0,0,0,0|2,0,0]=4 11616 B12R0.44 CC(C)CNC(=O)CSCC(C)O 62a_100000183291_100011218427 [0,2,0,0,0,0|2,0,0]=4 11617 B12R0.44 CC(C)CNC(=O)CSCC(C)O 62a_100011218427_100000183291 [0,2,0,0,0,0|2,0,0]=4 11618 B12R0.44 CC(C)CNC(=O)CSC[C@@H](C)O 62a_100000183291_100009817552 [0,2,0,0,0,0|2,0,0]=4 11619 B12R0.44 CC(C)CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183291 [0,2,0,0,0,0|2,0,0]=4 11620 B12R0.44 CC(C)CNC(=O)NCCC(C)O 2708a_100000210953_200000755665 [0,2,0,0,0,0|2,0,0]=4 11621 B12R0.44 CC(C)CNC(=O)NCCC(C)O 273464a_200000755665_100000210953 [0,2,0,0,0,0|2,0,0]=4 11622 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_100000210953_200000755665 [0,2,0,0,0,0|2,0,0]=4 11623 B12R0.44 CC(C)CNC(=O)NCCC(C)O 512a_200000755665_100000210953 [0,2,0,0,0,0|2,0,0]=4 11624 B12R0.44 CC(C)CNCC(=O)NCC(C)C 2230a_100000210953_100000183291 [0,2,0,0,0,0|2,0,0]=4 11625 B12R0.44 CC(C)CNCC(=O)NCC(C)C 34a_100000210953_100000183291 [0,2,0,0,0,0|2,0,0]=4 11626 B12R0.44 CC(C)COCC(=O)CCC(C)O 1458a_100011223364_100012276601 [0,2,0,0,0,0|2,0,0]=4 11627 B12R0.44 CC(C)COCC(=O)NCC(C)O 11a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 11628 B12R0.44 CC(C)COCC(=O)NCC(C)O 240690a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 11629 B12R0.44 CC(C)COCC(=O)NCC(C)O 527a_100000210904_100011223364 [0,2,0,0,0,0|2,0,0]=4 11630 B12R0.44 CC(O)CCCC(=O)CC[S+](C)C 1458a_100009452791_200000718107 [0,2,0,0,0,0|2,0,0]=4 11631 B12R0.44 CC(O)CCCC(=O)COC(C)C 1458a_100000745533_200000718107 [0,2,0,0,0,0|2,0,0]=4 11632 B12R0.44 CC(O)CCCC(=O)CSC(C)C 1458a_100000241585_200000718107 [0,2,0,0,0,0|2,0,0]=4 11633 B12R0.44 CC(O)CCCC(=O)NCC(C)O 527a_100000210904_100000761597 [0,2,0,0,0,0|1,0,0]=3 11634 B12R0.44 CC(O)CCCC(=O)NCC(F)F 1626a_100000765723_100000761597 [0,2,0,0,0,0|2,0,0]=4 11635 B12R0.44 CC(O)CCCC(=O)NCC(F)F 527a_100000765723_100000761597 [0,2,0,0,0,0|2,0,0]=4 11636 B12R0.44 CC(O)CCCC(=O)NNC(C)C 22a_100000741168_100000761597 [0,2,0,0,0,0|2,0,0]=4 11637 B12R0.44 CC(O)CCNC(=O)NCC(C)O 273464a_200000755665_100000210904 [0,2,0,0,0,0|2,0,0]=4 11638 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_100000210904_200000755665 [0,2,0,0,0,0|2,0,0]=4 11639 B12R0.44 CC(O)CCNC(=O)NCC(C)O 512a_200000755665_100000210904 [0,2,0,0,0,0|2,0,0]=4 11640 B12R0.44 CC(O)CNC(=O)CCCN(C)C 11a_100000210904_100000740757 [0,2,0,0,0,0|2,0,0]=4 11641 B12R0.44 CC(O)CNC(=O)CCCN(C)C 240690a_100000210904_100000740757 [0,2,0,0,0,0|2,0,0]=4 11642 B12R0.123 CC(C)C(C)NC(=O)CCCCO 1626a_100000211541_100000695505 [0,2,0,0,0,0|2,0,0]=4 11643 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000210198_200012276598 [0,2,0,0,0,0|1,0,1]=4 11644 B12R0.123 CCCCCC(=O)CC(=O)C(C)C 1458a_100000212188_100000753385 [0,2,0,0,0,0|1,0,1]=4 11645 B12R0.123 CCCCCC(=O)CC(=O)C(C)F 1458a_100000062450_200012276598 [0,2,0,0,0,0|1,0,1]=4 11646 B12R0.123 CCCCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_200012276598 [0,2,0,0,0,0|1,0,1]=4 11647 B12R0.123 CCCCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_200012276598 [0,2,0,0,0,0|1,0,1]=4 11648 B12R0.123 CCCCCC(=O)CC(C)N(C)C 1458a_100011311895_100000210326 [0,2,0,0,0,0|2,0,0]=4 11649 B12R0.123 CCCCCC(=O)CN(C)C(C)C 1458a_100000743827_100000210326 [0,2,0,0,0,0|2,0,0]=4 11650 B12R0.123 CCCCCC(=O)CN(C)C(C)C 269982a_200000211004_200012276598 [0,2,0,0,0,0|2,0,0]=4 11651 B12R0.123 CCCCCC(=O)NC(C)C(C)C 11a_100000211541_100000212188 [0,2,0,0,0,0|1,0,0]=3 11652 B12R0.123 CCCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000212188 [0,2,0,0,0,0|1,0,0]=3 11653 B12R0.123 CCCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000212188 [0,2,0,0,0,0|1,0,0]=3 11654 B12R0.123 CCCCCC(=O)NC(C)C(C)C 527a_100000211541_100000212188 [0,2,0,0,0,0|1,0,0]=3 11655 B12R0.123 CCCCCC(C)OC(C)C(C)C 7a_100000748068_200011218191 [0,2,0,0,0,0|1,0,1]=4 11656 B12R0.123 CCCCNC(=O)NC(C)C(C)C 2708a_100000102301_100000211541 [0,2,0,0,0,0|2,0,0]=4 11657 B12R0.123 CCCCNC(=O)NC(C)C(C)C 2708a_100000211541_100000102301 [0,2,0,0,0,0|2,0,0]=4 11658 B12R0.123 CCCCNC(=O)NC(C)C(C)C 273464a_100000102301_100000211541 [0,2,0,0,0,0|2,0,0]=4 11659 B12R0.123 CCCCNC(=O)NC(C)C(C)C 273464a_100000211541_100000102301 [0,2,0,0,0,0|2,0,0]=4 11660 B12R0.123 CCCCNC(=O)NC(C)C(C)C 512a_100000102301_100000211541 [0,2,0,0,0,0|2,0,0]=4 11661 B12R0.123 CCCCNC(=O)NC(C)C(C)C 512a_100000211541_100000102301 [0,2,0,0,0,0|2,0,0]=4 11662 B12R0.123 CCCOCC(=O)NC(C)C(C)C 11a_100000211541_100000745993 [0,2,0,0,0,0|2,0,0]=4 11663 B12R0.123 CCCOCC(=O)NC(C)C(C)C 1626a_100000211541_100000745993 [0,2,0,0,0,0|2,0,0]=4 11664 B12R0.123 CCCOCC(=O)NC(C)C(C)C 240690a_100000211541_100000745993 [0,2,0,0,0,0|2,0,0]=4 11665 B12R0.123 CCCOCC(=O)NC(C)C(C)C 527a_100000211541_100000745993 [0,2,0,0,0,0|2,0,0]=4 11666 B12R0.123 CCCSCC(=O)NC(C)C(C)C 11a_100000211541_100000217233 [0,2,0,0,0,0|2,0,0]=4 11667 B12R0.123 CCCSCC(=O)NC(C)C(C)C 1626a_100000211541_100000217233 [0,2,0,0,0,0|2,0,0]=4 11668 B12R0.123 CCCSCC(=O)NC(C)C(C)C 240690a_100000211541_100000217233 [0,2,0,0,0,0|2,0,0]=4 11669 B12R0.123 CCCSCC(=O)NC(C)C(C)C 527a_100000211541_100000217233 [0,2,0,0,0,0|2,0,0]=4 11670 B12R0.123 CCOCCC(=O)NC(C)C(C)C 11a_100000211541_100000749530 [0,2,0,0,0,0|2,0,0]=4 11671 B12R0.123 CCOCCC(=O)NC(C)C(C)C 1626a_100000211541_100000749530 [0,2,0,0,0,0|2,0,0]=4 11672 B12R0.123 CCOCCC(=O)NC(C)C(C)C 240690a_100000211541_100000749530 [0,2,0,0,0,0|2,0,0]=4 11673 B12R0.123 CCOCCC(=O)NC(C)C(C)C 527a_100000211541_100000749530 [0,2,0,0,0,0|2,0,0]=4 11674 B12R0.123 CCSCCC(=O)NC(C)C(C)C 11a_100000211541_100000230768 [0,2,0,0,0,0|2,0,0]=4 11675 B12R0.123 CCSCCC(=O)NC(C)C(C)C 1626a_100000211541_100000230768 [0,2,0,0,0,0|2,0,0]=4 11676 B12R0.123 CCSCCC(=O)NC(C)C(C)C 240690a_100000211541_100000230768 [0,2,0,0,0,0|2,0,0]=4 11677 B12R0.123 CCSCCC(=O)NC(C)C(C)C 527a_100000211541_100000230768 [0,2,0,0,0,0|2,0,0]=4 11678 B12R0.123 COCCCC(=O)NC(C)C(C)C 11a_100000211541_100000741012 [0,2,0,0,0,0|2,0,0]=4 11679 B12R0.123 COCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000741012 [0,2,0,0,0,0|2,0,0]=4 11680 B12R0.123 COCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000741012 [0,2,0,0,0,0|2,0,0]=4 11681 B12R0.123 COCCCC(=O)NC(C)C(C)C 527a_100000211541_100000741012 [0,2,0,0,0,0|2,0,0]=4 11682 B12R0.123 CSCCCC(=O)NC(C)C(C)C 11a_100000211541_100000173376 [0,2,0,0,0,0|2,0,0]=4 11683 B12R0.123 CSCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000173376 [0,2,0,0,0,0|2,0,0]=4 11684 B12R0.123 CSCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000173376 [0,2,0,0,0,0|2,0,0]=4 11685 B12R0.123 CSCCCC(=O)NC(C)C(C)C 527a_100000211541_100000173376 [0,2,0,0,0,0|2,0,0]=4 11686 B12R0.124 C#CC(CCCCC)OCC(C)C 34a_100011216489_100000210624 [0,2,0,0,0,0|1,0,1]=4 11687 B12R0.124 C#CC(CCCCC)OCC(C)C 7a_100011216489_100000210760 [0,2,0,0,0,0|1,0,1]=4 11688 B12R0.124 C#CC(CCCCC)OCC(C)O 34a_100011216489_100011218427 [0,2,0,0,0,0|1,0,1]=4 11689 B12R0.124 C#CC(CCCCC)OCC(C)O 7a_100011216489_100011218427 [0,2,0,0,0,0|1,0,1]=4 11690 B12R0.124 C#CC(CCCCC)OC[C@@H](C)O 34a_100011216489_100009817552 [0,2,0,0,0,0|1,0,1]=4 11691 B12R0.124 C#CC(CCCCC)OC[C@@H](C)O 7a_100011216489_100009817552 [0,2,0,0,0,0|1,0,1]=4 11692 B12R0.124 C=CC(CCCCC)OCC(C)C 34a_100011216863_100000210624 [0,2,0,0,0,0|1,0,1]=4 11693 B12R0.124 C=CC(CCCCC)OCC(C)C 7a_100011216863_100000210760 [0,2,0,0,0,0|1,0,1]=4 11694 B12R0.124 C=CC(CCCCC)OCC(C)O 34a_100011216863_100011218427 [0,2,0,0,0,0|1,0,1]=4 11695 B12R0.124 C=CC(CCCCC)OCC(C)O 7a_100011216863_100011218427 [0,2,0,0,0,0|1,0,1]=4 11696 B12R0.124 C=CC(CCCCC)OC[C@@H](C)O 34a_100011216863_100009817552 [0,2,0,0,0,0|1,0,1]=4 11697 B12R0.124 C=CC(CCCCC)OC[C@@H](C)O 7a_100011216863_100009817552 [0,2,0,0,0,0|1,0,1]=4 11698 B12R0.124 CCCCCC(CC)OCC(C)C 34a_100011215405_100000210624 [0,2,0,0,0,0|1,0,1]=4 11699 B12R0.124 CCCCCC(CC)OCC(C)C 7a_100011215405_100000210760 [0,2,0,0,0,0|1,0,1]=4 11700 B12R0.124 CCCCCC(CC)OCC(C)O 34a_100011215405_100011218427 [0,2,0,0,0,0|1,0,1]=4 11701 B12R0.124 CCCCCC(CC)OCC(C)O 7a_100011215405_100011218427 [0,2,0,0,0,0|1,0,1]=4 11702 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 34a_100011215405_100009817552 [0,2,0,0,0,0|1,0,1]=4 11703 B12R0.124 CCCCCC(CC)OC[C@@H](C)O 7a_100011215405_100009817552 [0,2,0,0,0,0|1,0,1]=4 11704 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 11a_100000225649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11705 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 1626a_100000225649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11706 B12R0.141 C=C(C)CN(C)C(=O)CCCCC 527a_100000225649_100000212188 [0,2,0,0,0,0|1,0,1]=4 11707 B12R0.141 CC(C)CC(C)C(=O)CCCCO 1458a_100000695505_100000731052 [0,2,0,0,0,0|2,0,0]=4 11708 B12R0.141 CC(C)CN(C)C(=O)CCCCO 1626a_100000747067_100000695505 [0,2,0,0,0,0|2,0,0]=4 11709 B12R0.141 CC(C)C[C@H](O)C(=O)CCCCF 1458a_100012027011_100000729493 [0,2,0,0,0,0|2,0,0]=4 11710 B12R0.141 CC(C)C[C@H](O)C(=O)CCCCO 1458a_100012027011_100000210776 [0,2,0,0,0,0|2,0,0]=4 11711 B12R0.141 CCCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210326 [0,2,0,0,0,0|2,0,0]=4 11712 B12R0.141 CCCCCC(=O)C(C)CC(C)C 1458a_100000212188_100000731052 [0,2,0,0,0,0|1,0,0]=3 11713 B12R0.141 CCCCCC(=O)C(C)CN(C)C 1458a_200015186601_100000210326 [0,2,0,0,0,0|2,0,0]=4 11714 B12R0.141 CCCCCC(=O)N(C)CC(C)C 11a_100000747067_100000212188 [0,2,0,0,0,0|1,0,0]=3 11715 B12R0.141 CCCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000212188 [0,2,0,0,0,0|1,0,0]=3 11716 B12R0.141 CCCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000212188 [0,2,0,0,0,0|1,0,0]=3 11717 B12R0.141 CCCCCC(=O)N(C)CC(C)C 527a_100000747067_100000212188 [0,2,0,0,0,0|1,0,0]=3 11718 B12R0.141 CCCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11719 B12R0.141 CCCCCC(=O)N(C)CC(C)O 527a_100000227577_100000212188 [0,2,0,0,0,0|1,0,0]=3 11720 B12R0.141 CCCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210326 [0,2,0,0,0,0|1,0,0]=3 11721 B12R0.141 CCCCNC(=O)N(C)CC(C)C 2708a_100000102301_100000747067 [0,2,0,0,0,0|2,0,0]=4 11722 B12R0.141 CCCCNC(=O)N(C)CC(C)C 273464a_100000102301_100000747067 [0,2,0,0,0,0|2,0,0]=4 11723 B12R0.141 CCCCNC(=O)N(C)CC(C)O 2708a_100000102301_100000227577 [0,2,0,0,0,0|2,0,0]=4 11724 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 1626a_100000102301_100012027011 [0,2,0,0,0,0|2,0,0]=4 11725 B12R0.141 CCCCNC(=O)[C@@H](O)CC(C)C 240690a_100000102301_100012027011 [0,2,0,0,0,0|2,0,0]=4 11726 B12R0.141 CCCOCC(=O)C(C)CC(C)C 1458a_100000745993_100000731052 [0,2,0,0,0,0|2,0,0]=4 11727 B12R0.141 CCCOCC(=O)N(C)CC(C)C 11a_100000747067_100000745993 [0,2,0,0,0,0|2,0,0]=4 11728 B12R0.141 CCCOCC(=O)N(C)CC(C)C 1626a_100000747067_100000745993 [0,2,0,0,0,0|2,0,0]=4 11729 B12R0.141 CCCOCC(=O)N(C)CC(C)C 240690a_100000747067_100000745993 [0,2,0,0,0,0|2,0,0]=4 11730 B12R0.141 CCCOCC(=O)N(C)CC(C)C 527a_100000747067_100000745993 [0,2,0,0,0,0|2,0,0]=4 11731 B12R0.141 CCCOCC(=O)N(C)CC(C)O 240690a_100000227577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11732 B12R0.141 CCCOCC(=O)N(C)CC(C)O 527a_100000227577_100000745993 [0,2,0,0,0,0|2,0,0]=4 11733 B12R0.141 CCCSCC(=O)C(C)CC(C)C 1458a_100000217233_100000731052 [0,2,0,0,0,0|2,0,0]=4 11734 B12R0.141 CCCSCC(=O)N(C)CC(C)C 11a_100000747067_100000217233 [0,2,0,0,0,0|2,0,0]=4 11735 B12R0.141 CCCSCC(=O)N(C)CC(C)C 1626a_100000747067_100000217233 [0,2,0,0,0,0|2,0,0]=4 11736 B12R0.141 CCCSCC(=O)N(C)CC(C)C 240690a_100000747067_100000217233 [0,2,0,0,0,0|2,0,0]=4 11737 B12R0.141 CCCSCC(=O)N(C)CC(C)C 527a_100000747067_100000217233 [0,2,0,0,0,0|2,0,0]=4 11738 B12R0.141 CCCSCC(=O)N(C)CC(C)O 240690a_100000227577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11739 B12R0.141 CCCSCC(=O)N(C)CC(C)O 527a_100000227577_100000217233 [0,2,0,0,0,0|2,0,0]=4 11740 B12R0.141 CCOCCC(=O)C(C)CC(C)C 1458a_100000749530_100000731052 [0,2,0,0,0,0|2,0,0]=4 11741 B12R0.141 CCOCCC(=O)N(C)CC(C)C 11a_100000747067_100000749530 [0,2,0,0,0,0|2,0,0]=4 11742 B12R0.141 CCOCCC(=O)N(C)CC(C)C 1626a_100000747067_100000749530 [0,2,0,0,0,0|2,0,0]=4 11743 B12R0.141 CCOCCC(=O)N(C)CC(C)C 240690a_100000747067_100000749530 [0,2,0,0,0,0|2,0,0]=4 11744 B12R0.141 CCOCCC(=O)N(C)CC(C)C 527a_100000747067_100000749530 [0,2,0,0,0,0|2,0,0]=4 11745 B12R0.141 CCOCCC(=O)N(C)CC(C)O 240690a_100000227577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11746 B12R0.141 CCOCCC(=O)N(C)CC(C)O 527a_100000227577_100000749530 [0,2,0,0,0,0|2,0,0]=4 11747 B12R0.141 CCOCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100011215890 [0,2,0,0,0,0|2,0,0]=4 11748 B12R0.141 CCSCCC(=O)C(C)CC(C)C 1458a_100000230768_100000731052 [0,2,0,0,0,0|2,0,0]=4 11749 B12R0.141 CCSCCC(=O)N(C)CC(C)C 11a_100000747067_100000230768 [0,2,0,0,0,0|2,0,0]=4 11750 B12R0.141 CCSCCC(=O)N(C)CC(C)C 1626a_100000747067_100000230768 [0,2,0,0,0,0|2,0,0]=4 11751 B12R0.141 CCSCCC(=O)N(C)CC(C)C 240690a_100000747067_100000230768 [0,2,0,0,0,0|2,0,0]=4 11752 B12R0.141 CCSCCC(=O)N(C)CC(C)C 527a_100000747067_100000230768 [0,2,0,0,0,0|2,0,0]=4 11753 B12R0.141 CCSCCC(=O)N(C)CC(C)O 240690a_100000227577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11754 B12R0.141 CCSCCC(=O)N(C)CC(C)O 527a_100000227577_100000230768 [0,2,0,0,0,0|2,0,0]=4 11755 B12R0.141 CCSCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000757381 [0,2,0,0,0,0|2,0,0]=4 11756 B12R0.141 COCCCC(=O)C(C)CC(C)C 1458a_100000741012_100000731052 [0,2,0,0,0,0|2,0,0]=4 11757 B12R0.141 COCCCC(=O)N(C)CC(C)C 11a_100000747067_100000741012 [0,2,0,0,0,0|2,0,0]=4 11758 B12R0.141 COCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000741012 [0,2,0,0,0,0|2,0,0]=4 11759 B12R0.141 COCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000741012 [0,2,0,0,0,0|2,0,0]=4 11760 B12R0.141 COCCCC(=O)N(C)CC(C)C 527a_100000747067_100000741012 [0,2,0,0,0,0|2,0,0]=4 11761 B12R0.141 COCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11762 B12R0.141 COCCCC(=O)N(C)CC(C)O 527a_100000227577_100000741012 [0,2,0,0,0,0|2,0,0]=4 11763 B12R0.141 COCCCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000740836 [0,2,0,0,0,0|2,0,0]=4 11764 B12R0.141 CSCCCC(=O)C(C)CC(C)C 1458a_100000173376_100000731052 [0,2,0,0,0,0|2,0,0]=4 11765 B12R0.141 CSCCCC(=O)N(C)CC(C)C 11a_100000747067_100000173376 [0,2,0,0,0,0|2,0,0]=4 11766 B12R0.141 CSCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000173376 [0,2,0,0,0,0|2,0,0]=4 11767 B12R0.141 CSCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000173376 [0,2,0,0,0,0|2,0,0]=4 11768 B12R0.141 CSCCCC(=O)N(C)CC(C)C 527a_100000747067_100000173376 [0,2,0,0,0,0|2,0,0]=4 11769 B12R0.141 CSCCCC(=O)N(C)CC(C)O 240690a_100000227577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11770 B12R0.141 CSCCCC(=O)N(C)CC(C)O 527a_100000227577_100000173376 [0,2,0,0,0,0|2,0,0]=4 11771 B12R0.142 C#CC(C)NCC(=O)CCCCC 2230a_100000707721_200012276598 [0,2,0,0,0,0|2,0,0]=4 11772 B12R0.142 C#CC(C)NCC(=O)CCCCC 34a_100000707721_200012276598 [0,2,0,0,0,0|2,0,0]=4 11773 B12R0.142 C#CC(C)SCC(=O)CCCCC 62a_200000035995_200012276598 [0,2,0,0,0,0|2,0,0]=4 11774 B12R0.142 C#CCCCC(=O)CCC(C)CC 1458a_100000701222_100000731252 [0,2,0,0,0,0|1,0,1]=4 11775 B12R0.142 C#CCCNC(=O)CCC(C)CC 11a_100000755551_100000701222 [0,2,0,0,0,0|1,0,1]=4 11776 B12R0.142 C#CCCNC(=O)CCC(C)CC 1626a_100000755551_100000701222 [0,2,0,0,0,0|1,0,1]=4 11777 B12R0.142 C#CCCNC(=O)CCC(C)CC 240690a_100000755551_100000701222 [0,2,0,0,0,0|1,0,1]=4 11778 B12R0.142 C#CCCNC(=O)CCC(C)CC 527a_100000755551_100000701222 [0,2,0,0,0,0|1,0,1]=4 11779 B12R0.142 C#CCCNC(=O)CCC(O)CC 1626a_100000755551_203496584001 [0,2,0,0,0,0|1,0,1]=4 11780 B12R0.142 C#CCCNC(=O)CCC(O)CC 240690a_100000755551_203496584001 [0,2,0,0,0,0|1,0,1]=4 11781 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 34a_100009815206_200012276598 [0,2,0,0,0,0|0,0,2]=4 11782 B12R0.142 C#C[C@@H](C)OCC(=O)CCCCC 7a_100009815206_200012276598 [0,2,0,0,0,0|0,0,2]=4 11783 B12R0.142 C=CC(C)COC(C)CCCCC 34a_100011215527_200011218191 [0,2,0,0,0,0|1,0,1]=4 11784 B12R0.142 C=CC(C)COC(C)CCCCC 7a_100011215527_200011218191 [0,2,0,0,0,0|1,0,1]=4 11785 B12R0.142 C=CC(C)OCC(=O)CCCCC 34a_100000695699_200012276598 [0,2,0,0,0,0|0,0,2]=4 11786 B12R0.142 C=CC(C)SCC(=O)CCCCC 62a_100011215867_200012276598 [0,2,0,0,0,0|2,0,0]=4 11787 B12R0.142 C=CCCCC(=O)CCC(C)CC 1458a_100000701222_100000757094 [0,2,0,0,0,0|1,0,1]=4 11788 B12R0.142 C=CCCNC(=O)CCC(C)CC 11a_100015191253_100000701222 [0,2,0,0,0,0|1,0,1]=4 11789 B12R0.142 C=CCCNC(=O)CCC(C)CC 1626a_100015191253_100000701222 [0,2,0,0,0,0|1,0,1]=4 11790 B12R0.142 C=CCCNC(=O)CCC(C)CC 240690a_100015191253_100000701222 [0,2,0,0,0,0|1,0,1]=4 11791 B12R0.142 C=CCCNC(=O)CCC(C)CC 527a_100015191253_100000701222 [0,2,0,0,0,0|1,0,1]=4 11792 B12R0.142 C=CCCNC(=O)CCC(O)CC 1626a_100015191253_203496584001 [0,2,0,0,0,0|1,0,1]=4 11793 B12R0.142 C=CCCNC(=O)CCC(O)CC 240690a_100015191253_203496584001 [0,2,0,0,0,0|1,0,1]=4 11794 B12R0.142 CC#CCNC(=O)CCC(C)CC 11a_100000685387_100000701222 [0,2,0,0,0,0|1,0,1]=4 11795 B12R0.142 CC#CCNC(=O)CCC(C)CC 1626a_100000685387_100000701222 [0,2,0,0,0,0|1,0,1]=4 11796 B12R0.142 CC#CCNC(=O)CCC(C)CC 527a_100000685387_100000701222 [0,2,0,0,0,0|1,0,1]=4 11797 B12R0.142 CC#CCNC(=O)CCC(O)CC 1626a_100000685387_203496584001 [0,2,0,0,0,0|1,0,1]=4 11798 B12R0.142 CC/C=C\CC(=O)CCC(C)CC 1458a_100000701222_100103147603 [0,2,0,0,0,0|1,0,1]=4 11799 B12R0.142 CCC#CCC(=O)CCC(C)CC 1458a_100000701222_100009813939 [0,2,0,0,0,0|1,0,1]=4 11800 B12R0.142 CCC(=O)CCC(=O)OCCC#N 1458a_200009922858_100000210202 [0,2,0,0,0,0|0,0,2]=4 11801 B12R0.142 CCC(C)CCC(=O)CCCC#N 1458a_100000701222_100000211468 [0,2,0,0,0,0|1,0,1]=4 11802 B12R0.142 CCC(C)CCC(=O)CCCCF 1458a_100000701222_100000729493 [0,2,0,0,0,0|1,0,0]=3 11803 B12R0.142 CCC(C)CCC(=O)CCCCO 1458a_100000701222_100000210776 [0,2,0,0,0,0|1,0,0]=3 11804 B12R0.142 CCC(C)CCC(=O)CCCOC 1458a_100000701222_100000740836 [0,2,0,0,0,0|1,0,0]=3 11805 B12R0.142 CCC(C)CCC(=O)NCCC#N 11a_100000720768_100000701222 [0,2,0,0,0,0|1,0,1]=4 11806 B12R0.142 CCC(C)CCC(=O)NCCC#N 1626a_100000720768_100000701222 [0,2,0,0,0,0|1,0,1]=4 11807 B12R0.142 CCC(C)CCC(=O)NCCC#N 240690a_100000720768_100000701222 [0,2,0,0,0,0|1,0,1]=4 11808 B12R0.142 CCC(C)CCC(=O)NCCC#N 527a_100000720768_100000701222 [0,2,0,0,0,0|1,0,1]=4 11809 B12R0.142 CCC(C)CCC(=O)NCCCF 11a_100015189416_100000701222 [0,2,0,0,0,0|1,0,0]=3 11810 B12R0.142 CCC(C)CCC(=O)NCCCF 1626a_100015189416_100000701222 [0,2,0,0,0,0|1,0,0]=3 11811 B12R0.142 CCC(C)CCC(=O)NCCCF 240690a_100015189416_100000701222 [0,2,0,0,0,0|1,0,0]=3 11812 B12R0.142 CCC(C)CCC(=O)NCCCF 527a_100015189416_100000701222 [0,2,0,0,0,0|1,0,0]=3 11813 B12R0.142 CCC(C)CCC(=O)NCCCO 240690a_100000182051_100000701222 [0,2,0,0,0,0|1,0,0]=3 11814 B12R0.142 CCC(C)CCC(=O)NCCCO 527a_100000182051_100000701222 [0,2,0,0,0,0|1,0,0]=3 11815 B12R0.142 CCC(C)CCC(=O)NCCOC 1626a_100000209980_100000701222 [0,2,0,0,0,0|1,0,0]=3 11816 B12R0.142 CCC(C)CCC(=O)NCCOC 240690a_100000209980_100000701222 [0,2,0,0,0,0|1,0,0]=3 11817 B12R0.142 CCC(C)CCC(=O)NCCOC 527a_100000209980_100000701222 [0,2,0,0,0,0|1,0,0]=3 11818 B12R0.142 CCC(C)CCC(=O)NCCSC 11a_100020590264_100000701222 [0,2,0,0,0,0|1,0,0]=3 11819 B12R0.142 CCC(C)CCC(=O)NCCSC 1626a_100020590264_100000701222 [0,2,0,0,0,0|1,0,0]=3 11820 B12R0.142 CCC(C)CCC(=O)NCCSC 240690a_100020590264_100000701222 [0,2,0,0,0,0|1,0,0]=3 11821 B12R0.142 CCC(C)CCC(=O)NCCSC 527a_100020590264_100000701222 [0,2,0,0,0,0|1,0,0]=3 11822 B12R0.142 CCC(C)CCC(=O)NNCCO 22a_100000210001_100000701222 [0,2,0,0,0,0|2,0,0]=4 11823 B12R0.142 CCC(C)CCC(C)OCCCF 7a_200011216552_100011934791 [0,2,0,0,0,0|1,0,1]=4 11824 B12R0.142 CCC(C)CCC(C)OCCCO 7a_200011216552_100011215043 [0,2,0,0,0,0|1,0,1]=4 11825 B12R0.142 CCC(C)CCC(C)OCCOC 7a_200011216552_100000233755 [0,2,0,0,0,0|1,0,1]=4 11826 B12R0.142 CCC(C)CCC(C)OCCSC 7a_200011216552_100000212216 [0,2,0,0,0,0|1,0,1]=4 11827 B12R0.142 CCC(C)CNC(=O)CCCCO 1626a_100020588543_100000695505 [0,2,0,0,0,0|2,0,0]=4 11828 B12R0.142 CCC(C)CNC(=O)CCCOC 11a_100020588543_100000741012 [0,2,0,0,0,0|2,0,0]=4 11829 B12R0.142 CCC(C)CNC(=O)CCCOC 1626a_100020588543_100000741012 [0,2,0,0,0,0|2,0,0]=4 11830 B12R0.142 CCC(C)CNC(=O)CCCOC 240690a_100020588543_100000741012 [0,2,0,0,0,0|2,0,0]=4 11831 B12R0.142 CCC(C)CNC(=O)CCCOC 527a_100020588543_100000741012 [0,2,0,0,0,0|2,0,0]=4 11832 B12R0.142 CCC(C)CNC(=O)CCCSC 11a_100020588543_100000173376 [0,2,0,0,0,0|2,0,0]=4 11833 B12R0.142 CCC(C)CNC(=O)CCCSC 1626a_100020588543_100000173376 [0,2,0,0,0,0|2,0,0]=4 11834 B12R0.142 CCC(C)CNC(=O)CCCSC 240690a_100020588543_100000173376 [0,2,0,0,0,0|2,0,0]=4 11835 B12R0.142 CCC(C)CNC(=O)CCCSC 527a_100020588543_100000173376 [0,2,0,0,0,0|2,0,0]=4 11836 B12R0.142 CCC(C)CNC(=O)COCCO 1626a_100020588543_100000708028 [0,2,0,0,0,0|2,0,0]=4 11837 B12R0.142 CCC(C)CNC(=O)COCCO 240690a_100020588543_100000708028 [0,2,0,0,0,0|2,0,0]=4 11838 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100015189416_100020588543 [0,2,0,0,0,0|2,0,0]=4 11839 B12R0.142 CCC(C)CNC(=O)NCCCF 2708a_100020588543_100015189416 [0,2,0,0,0,0|2,0,0]=4 11840 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100015189416_100020588543 [0,2,0,0,0,0|2,0,0]=4 11841 B12R0.142 CCC(C)CNC(=O)NCCCF 273464a_100020588543_100015189416 [0,2,0,0,0,0|2,0,0]=4 11842 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100015189416_100020588543 [0,2,0,0,0,0|2,0,0]=4 11843 B12R0.142 CCC(C)CNC(=O)NCCCF 512a_100020588543_100015189416 [0,2,0,0,0,0|2,0,0]=4 11844 B12R0.142 CCC(C)CNC(=O)NCCCO 2708a_100020588543_100000182051 [0,2,0,0,0,0|2,0,0]=4 11845 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100000182051_100020588543 [0,2,0,0,0,0|2,0,0]=4 11846 B12R0.142 CCC(C)CNC(=O)NCCCO 273464a_100020588543_100000182051 [0,2,0,0,0,0|2,0,0]=4 11847 B12R0.142 CCC(C)CNC(=O)NCCCO 512a_100020588543_100000182051 [0,2,0,0,0,0|2,0,0]=4 11848 B12R0.142 CCC(C)CNC(=O)NCCOC 2708a_100020588543_100000209980 [0,2,0,0,0,0|2,0,0]=4 11849 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100000209980_100020588543 [0,2,0,0,0,0|2,0,0]=4 11850 B12R0.142 CCC(C)CNC(=O)NCCOC 273464a_100020588543_100000209980 [0,2,0,0,0,0|2,0,0]=4 11851 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020588543_100020590264 [0,2,0,0,0,0|2,0,0]=4 11852 B12R0.142 CCC(C)CNC(=O)NCCSC 2708a_100020590264_100020588543 [0,2,0,0,0,0|2,0,0]=4 11853 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020588543_100020590264 [0,2,0,0,0,0|2,0,0]=4 11854 B12R0.142 CCC(C)CNC(=O)NCCSC 273464a_100020590264_100020588543 [0,2,0,0,0,0|2,0,0]=4 11855 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020588543_100020590264 [0,2,0,0,0,0|2,0,0]=4 11856 B12R0.142 CCC(C)CNC(=O)NCCSC 512a_100020590264_100020588543 [0,2,0,0,0,0|2,0,0]=4 11857 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000209981_100000183275 [0,2,0,0,0,0|2,0,0]=4 11858 B12R0.142 CCC(C)NCC(=O)NCCOC 2230a_100000754632_100000758301 [0,2,0,0,0,0|2,0,0]=4 11859 B12R0.142 CCC(C)NCC(=O)OCCOC 2230a_100000209981_200000040189 [0,2,0,0,0,0|1,0,0]=3 11860 B12R0.142 CCC(C)NNC(=O)CCCOC 22a_100000718999_100000741012 [0,2,0,0,0,0|2,0,0]=4 11861 B12R0.142 CCC(C)NNC(=O)CCCSC 22a_100000718999_100000173376 [0,2,0,0,0,0|2,0,0]=4 11862 B12R0.142 CCC(C)OCC(=O)NCCOC 7a_100000210228_100000183275 [0,2,0,0,0,0|2,0,0]=4 11863 B12R0.142 CCC(C)OCC(=O)OCCOC 7a_100000210228_200000040189 [0,2,0,0,0,0|1,0,0]=3 11864 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000183275_100000758301 [0,2,0,0,0,0|2,0,0]=4 11865 B12R0.142 CCC(C)SCC(=O)NCCOC 62a_100000758301_100000183275 [0,2,0,0,0,0|2,0,0]=4 11866 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_100000758301_200000040189 [0,2,0,0,0,0|1,0,0]=3 11867 B12R0.142 CCC(C)SCC(=O)OCCOC 62a_200000040189_100000758301 [0,2,0,0,0,0|1,0,0]=3 11868 B12R0.142 CCC(O)CCC(=O)NCCC#N 1626a_100000720768_203496584001 [0,2,0,0,0,0|1,0,1]=4 11869 B12R0.142 CCC(O)CCC(=O)NCCC#N 240690a_100000720768_203496584001 [0,2,0,0,0,0|1,0,1]=4 11870 B12R0.142 CCC(O)CCC(=O)NCCCF 1626a_100015189416_203496584001 [0,2,0,0,0,0|1,0,0]=3 11871 B12R0.142 CCC(O)CCC(=O)NCCCF 240690a_100015189416_203496584001 [0,2,0,0,0,0|1,0,0]=3 11872 B12R0.142 CCC(O)CCC(=O)NCCCO 240690a_100000182051_203496584001 [0,2,0,0,0,0|1,0,0]=3 11873 B12R0.142 CCC(O)CCC(=O)NCCOC 1626a_100000209980_203496584001 [0,2,0,0,0,0|1,0,0]=3 11874 B12R0.142 CCC(O)CCC(=O)NCCOC 240690a_100000209980_203496584001 [0,2,0,0,0,0|1,0,0]=3 11875 B12R0.142 CCC(O)CCC(=O)NCCSC 1626a_100020590264_203496584001 [0,2,0,0,0,0|1,0,0]=3 11876 B12R0.142 CCC(O)CCC(=O)NCCSC 240690a_100020590264_203496584001 [0,2,0,0,0,0|1,0,0]=3 11877 B12R0.142 CCC(O)CCC(=O)NNCCO 22a_100000210001_203496584001 [0,2,0,0,0,0|2,0,0]=4 11878 B12R0.142 CCC(O)CNC(=O)CCCOC 11a_100011218483_100000741012 [0,2,0,0,0,0|2,0,0]=4 11879 B12R0.142 CCC(O)CNC(=O)CCCOC 240690a_100011218483_100000741012 [0,2,0,0,0,0|2,0,0]=4 11880 B12R0.142 CCC(O)CNC(=O)CCCOC 527a_100011218483_100000741012 [0,2,0,0,0,0|2,0,0]=4 11881 B12R0.142 CCC(O)CNC(=O)CCCSC 11a_100011218483_100000173376 [0,2,0,0,0,0|2,0,0]=4 11882 B12R0.142 CCC(O)CNC(=O)CCCSC 240690a_100011218483_100000173376 [0,2,0,0,0,0|2,0,0]=4 11883 B12R0.142 CCC(O)CNC(=O)CCCSC 527a_100011218483_100000173376 [0,2,0,0,0,0|2,0,0]=4 11884 B12R0.142 CCC(O)CNC(=O)COCCO 240690a_100011218483_100000708028 [0,2,0,0,0,0|2,0,0]=4 11885 B12R0.142 CCC(O)CNC(=O)NCCCF 2708a_100015189416_100011218483 [0,2,0,0,0,0|2,0,0]=4 11886 B12R0.142 CCC(O)CNC(=O)NCCCF 273464a_100011218483_100015189416 [0,2,0,0,0,0|2,0,0]=4 11887 B12R0.142 CCC(O)CNC(=O)NCCCF 273464a_100015189416_100011218483 [0,2,0,0,0,0|2,0,0]=4 11888 B12R0.142 CCC(O)CNC(=O)NCCCF 512a_100011218483_100015189416 [0,2,0,0,0,0|2,0,0]=4 11889 B12R0.142 CCC(O)CNC(=O)NCCCO 273464a_100000182051_100011218483 [0,2,0,0,0,0|2,0,0]=4 11890 B12R0.142 CCC(O)CNC(=O)NCCCO 273464a_100011218483_100000182051 [0,2,0,0,0,0|2,0,0]=4 11891 B12R0.142 CCC(O)CNC(=O)NCCCO 512a_100011218483_100000182051 [0,2,0,0,0,0|2,0,0]=4 11892 B12R0.142 CCC(O)CNC(=O)NCCOC 273464a_100000209980_100011218483 [0,2,0,0,0,0|2,0,0]=4 11893 B12R0.142 CCC(O)CNC(=O)NCCOC 273464a_100011218483_100000209980 [0,2,0,0,0,0|2,0,0]=4 11894 B12R0.142 CCC(O)CNC(=O)NCCSC 2708a_100020590264_100011218483 [0,2,0,0,0,0|2,0,0]=4 11895 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100011218483_100020590264 [0,2,0,0,0,0|2,0,0]=4 11896 B12R0.142 CCC(O)CNC(=O)NCCSC 273464a_100020590264_100011218483 [0,2,0,0,0,0|2,0,0]=4 11897 B12R0.142 CCC(O)CNC(=O)NCCSC 512a_100011218483_100020590264 [0,2,0,0,0,0|2,0,0]=4 11898 B12R0.142 CCCC#CC(=O)NCC(C)CC 240690a_100020588543_200011218047 [0,2,0,0,0,0|2,0,0]=4 11899 B12R0.142 CCCC#CC(=O)NCC(O)CC 240690a_100011218483_200011218047 [0,2,0,0,0,0|2,0,0]=4 11900 B12R0.142 CCCC=CC(=O)NCC(C)CC 11a_100020588543_100000212230 [0,2,0,0,0,0|2,0,0]=4 11901 B12R0.142 CCCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212230 [0,2,0,0,0,0|2,0,0]=4 11902 B12R0.142 CCCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212230 [0,2,0,0,0,0|2,0,0]=4 11903 B12R0.142 CCCC=CC(=O)NCC(O)CC 11a_100011218483_100000212230 [0,2,0,0,0,0|2,0,0]=4 11904 B12R0.142 CCCC=CC(=O)NCC(O)CC 240690a_100011218483_100000212230 [0,2,0,0,0,0|2,0,0]=4 11905 B12R0.142 CCCCCC(=NNC(C)CC)C 4a_100000718999_100000211708 [0,2,0,0,0,0|2,0,0]=4 11906 B12R0.142 CCCCCC(=O)CCC(=O)NC 1458a_100011309844_100000210326 [0,2,0,0,0,0|1,0,1]=4 11907 B12R0.142 CCCCCC(=O)CCC(=O)OC 1458a_100000187943_100000210326 [0,2,0,0,0,0|1,0,1]=4 11908 B12R0.142 CCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210326 [0,2,0,0,0,0|1,0,0]=3 11909 B12R0.142 CCCCCC(=O)CCN(C)CC 1458a_100000755305_100000210326 [0,2,0,0,0,0|1,0,0]=3 11910 B12R0.142 CCCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210326 [0,2,0,0,0,0|1,0,0]=3 11911 B12R0.142 CCCCCC(=O)CNC(=O)CC 1458a_100000194589_100000210326 [0,2,0,0,0,0|1,0,1]=4 11912 B12R0.142 CCCCCC(=O)CNC(C)C#N 2230a_100000737613_200012276598 [0,2,0,0,0,0|2,0,0]=4 11913 B12R0.142 CCCCCC(=O)CNC(C)CC 2230a_100000209981_200012276598 [0,2,0,0,0,0|1,0,0]=3 11914 B12R0.142 CCCCCC(=O)CN[C@H](C)CO 2230a_100000737577_200012276598 [0,2,0,0,0,0|2,0,0]=4 11915 B12R0.142 CCCCCC(=O)COC(C)C#N 34a_100011218135_200012276598 [0,2,0,0,0,0|1,0,1]=4 11916 B12R0.142 CCCCCC(=O)COC(C)CC 7a_100000210228_200012276598 [0,2,0,0,0,0|0,0,0]=2 11917 B12R0.142 CCCCCC(=O)COC(C)CF 34a_100016041109_200012276598 [0,2,0,0,0,0|1,0,0]=3 11918 B12R0.142 CCCCCC(=O)COC(C)CF 7a_100016041109_200012276598 [0,2,0,0,0,0|1,0,0]=3 11919 B12R0.142 CCCCCC(=O)COC(C)CN 34a_100000210904_200012276598 [0,2,0,0,0,0|1,0,0]=3 11920 B12R0.142 CCCCCC(=O)CSC(C)C#N 62a_100000703298_200012276598 [0,2,0,0,0,0|2,0,0]=4 11921 B12R0.142 CCCCCC(=O)CSC(C)C#N 62a_200012276598_100000703298 [0,2,0,0,0,0|2,0,0]=4 11922 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_100000758301_200012276598 [0,2,0,0,0,0|0,1,0]=3 11923 B12R0.142 CCCCCC(=O)CSC(C)CC 62a_200012276598_100000758301 [0,2,0,0,0,0|0,1,0]=3 11924 B12R0.142 CCCCCC(=O)CSC(C)CO 62a_100012180447_200012276598 [0,2,0,0,0,0|1,1,0]=4 11925 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_100009879195_200012276598 [0,2,0,0,0,0|1,1,0]=4 11926 B12R0.142 CCCCCC(=O)CSC(C)OC 62a_200012276598_100009879195 [0,2,0,0,0,0|1,1,0]=4 11927 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_100016084084_200012276598 [0,2,0,0,0,0|1,1,0]=4 11928 B12R0.142 CCCCCC(=O)CS[C@H](C)CO 62a_200012276598_100016084084 [0,2,0,0,0,0|1,1,0]=4 11929 B12R0.142 CCCCCC(=O)NCC(=O)NC 11a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 11930 B12R0.142 CCCCCC(=O)NCC(=O)NC 240690a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 11931 B12R0.142 CCCCCC(=O)NCC(=O)NC 527a_100000693194_100000212188 [0,2,0,0,0,0|1,0,1]=4 11932 B12R0.142 CCCCCC(=O)NCC(=O)OC 188690a_100000185156_100000212188 [0,2,0,0,0,0|1,0,1]=4 11933 B12R0.142 CCCCCC(=O)NCC(C)CC 11a_100020588543_100000212188 [0,2,0,0,0,0|1,0,0]=3 11934 B12R0.142 CCCCCC(=O)NCC(C)CC 1626a_100020588543_100000212188 [0,2,0,0,0,0|1,0,0]=3 11935 B12R0.142 CCCCCC(=O)NCC(C)CC 240690a_100020588543_100000212188 [0,2,0,0,0,0|1,0,0]=3 11936 B12R0.142 CCCCCC(=O)NCC(C)CC 527a_100020588543_100000212188 [0,2,0,0,0,0|1,0,0]=3 11937 B12R0.142 CCCCCC(=O)NCC(C)CO 240690a_100000744482_100000212188 [0,2,0,0,0,0|1,0,0]=3 11938 B12R0.142 CCCCCC(=O)NCC(C)CO 527a_100000744482_100000212188 [0,2,0,0,0,0|1,0,0]=3 11939 B12R0.142 CCCCCC(=O)NCC(O)CC 11a_100011218483_100000212188 [0,2,0,0,0,0|1,0,0]=3 11940 B12R0.142 CCCCCC(=O)NCC(O)CC 240690a_100011218483_100000212188 [0,2,0,0,0,0|1,0,0]=3 11941 B12R0.142 CCCCCC(=O)NCC(O)CC 527a_100011218483_100000212188 [0,2,0,0,0,0|1,0,0]=3 11942 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000212188 [0,2,0,0,0,0|1,0,0]=3 11943 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000212188 [0,2,0,0,0,0|1,0,0]=3 11944 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000212188 [0,2,0,0,0,0|1,0,0]=3 11945 B12R0.142 CCCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000212188 [0,2,0,0,0,0|1,0,0]=3 11946 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000212188 [0,2,0,0,0,0|1,0,0]=3 11947 B12R0.142 CCCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000212188 [0,2,0,0,0,0|1,0,0]=3 11948 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000212188 [0,2,0,0,0,0|1,0,0]=3 11949 B12R0.142 CCCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000212188 [0,2,0,0,0,0|1,0,0]=3 11950 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000183195_100000212188 [0,2,0,0,0,0|1,0,1]=4 11951 B12R0.142 CCCCCC(=O)NNC(=O)CC 22a_100000189784_100000210414 [0,2,0,0,0,0|1,0,1]=4 11952 B12R0.142 CCCCCC(=O)NNC(C)CC 22a_100000718999_100000212188 [0,2,0,0,0,0|1,0,0]=3 11953 B12R0.142 CCCCCC(C)OCC(=O)CC 34a_100000725409_200011218191 [0,2,0,0,0,0|1,0,1]=4 11954 B12R0.142 CCCCCC(C)OCC(=O)CC 7a_100011215632_100000747405 [0,2,0,0,0,0|1,0,1]=4 11955 B12R0.142 CCCCCC(C)OCC(C)CC 34a_100011215632_100000748023 [0,2,0,0,0,0|1,0,1]=4 11956 B12R0.142 CCCCCC(C)OCC(C)CC 7a_100011215632_100000748023 [0,2,0,0,0,0|1,0,1]=4 11957 B12R0.142 CCCCCC(C)OCC(C)CN 34a_100000744482_200011218191 [0,2,0,0,0,0|1,0,1]=4 11958 B12R0.142 CCCCCC(C)OCC(C)OC 34a_100000690652_200011218191 [0,2,0,0,0,0|1,0,1]=4 11959 B12R0.142 CCCCCC(C)OCC(Cl)CCl 34a_100000033668_200011218191 [0,2,0,0,0,0|1,0,1]=4 11960 B12R0.142 CCCCCC(C)OCC(O)CC 34a_100011215632_100011218378 [0,2,0,0,0,0|1,0,1]=4 11961 B12R0.142 CCCCCC(C)OCC(O)CC 7a_100011215632_100011218378 [0,2,0,0,0,0|1,0,1]=4 11962 B12R0.142 CCCCCC(C)OCC(O)CO 34a_100011215632_100011219619 [0,2,0,0,0,0|1,0,1]=4 11963 B12R0.142 CCCCCC(C)OCC(O)CO 7a_100011215632_100011219619 [0,2,0,0,0,0|1,0,1]=4 11964 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 34a_100011215632_100009816398 [0,2,0,0,0,0|1,0,1]=4 11965 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100009816381_200011218191 [0,2,0,0,0,0|1,0,1]=4 11966 B12R0.142 CCCCCC(C)OC[C@@H](C)CC 7a_100011215632_100009816398 [0,2,0,0,0,0|1,0,1]=4 11967 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 34a_100011215632_100000059175 [0,2,0,0,0,0|1,0,1]=4 11968 B12R0.142 CCCCCC(C)OC[C@@H](C)CO 7a_100011215632_100000059175 [0,2,0,0,0,0|1,0,1]=4 11969 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 34a_100011215632_100015614560 [0,2,0,0,0,0|1,0,1]=4 11970 B12R0.142 CCCCCC(C)OC[C@@H](O)CF 7a_100011215632_100015614560 [0,2,0,0,0,0|1,0,1]=4 11971 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 34a_100011215632_100009815848 [0,2,0,0,0,0|1,0,1]=4 11972 B12R0.142 CCCCCC(C)OC[C@@H](O)CO 7a_100011215632_100009815848 [0,2,0,0,0,0|1,0,1]=4 11973 B12R0.142 CCCCCC(C)OC[C@H](F)CN 34a_100015665980_200011218191 [0,2,0,0,0,0|1,0,1]=4 11974 B12R0.142 CCCCNC(=O)CCC(C)CC 11a_100000102301_100000701222 [0,2,0,0,0,0|1,0,0]=3 11975 B12R0.142 CCCCNC(=O)CCC(C)CC 1626a_100000102301_100000701222 [0,2,0,0,0,0|1,0,0]=3 11976 B12R0.142 CCCCNC(=O)CCC(C)CC 240690a_100000102301_100000701222 [0,2,0,0,0,0|1,0,0]=3 11977 B12R0.142 CCCCNC(=O)CCC(C)CC 527a_100000102301_100000701222 [0,2,0,0,0,0|1,0,0]=3 11978 B12R0.142 CCCCNC(=O)CCC(O)CC 1626a_100000102301_203496584001 [0,2,0,0,0,0|1,0,0]=3 11979 B12R0.142 CCCCNC(=O)CCC(O)CC 240690a_100000102301_203496584001 [0,2,0,0,0,0|1,0,0]=3 11980 B12R0.142 CCCCNC(=O)CCN(C)CC 240690a_100000102301_100000755305 [0,2,0,0,0,0|2,0,0]=4 11981 B12R0.142 CCCCNC(=O)CCS(=O)CC 11a_100000102301_100011387550 [0,2,0,0,0,0|2,0,0]=4 11982 B12R0.142 CCCCNC(=O)CCS(=O)CC 1626a_100000102301_100011387550 [0,2,0,0,0,0|2,0,0]=4 11983 B12R0.142 CCCCNC(=O)CCS(=O)CC 240690a_100000102301_100011387550 [0,2,0,0,0,0|2,0,0]=4 11984 B12R0.142 CCCCNC(=O)CCS(=O)CC 527a_100000102301_100011387550 [0,2,0,0,0,0|2,0,0]=4 11985 B12R0.142 CCCCNC(=O)CNC(C)CC 2230a_100000209981_100000182744 [0,2,0,0,0,0|2,0,0]=4 11986 B12R0.142 CCCCNC(=O)COC(C)CC 7a_100000210228_100000182744 [0,2,0,0,0,0|1,0,0]=3 11987 B12R0.142 CCCCNC(=O)COC(C)CF 34a_100016041109_100000182744 [0,2,0,0,0,0|2,0,0]=4 11988 B12R0.142 CCCCNC(=O)COC(C)CF 7a_100016041109_100000182744 [0,2,0,0,0,0|2,0,0]=4 11989 B12R0.142 CCCCNC(=O)COC(C)CN 34a_100000210904_100000182744 [0,2,0,0,0,0|2,0,0]=4 11990 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000182744_100000758301 [0,2,0,0,0,0|1,1,0]=4 11991 B12R0.142 CCCCNC(=O)CSC(C)CC 62a_100000758301_100000182744 [0,2,0,0,0,0|1,1,0]=4 11992 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100000102301_100020588543 [0,2,0,0,0,0|2,0,0]=4 11993 B12R0.142 CCCCNC(=O)NCC(C)CC 2708a_100020588543_100000102301 [0,2,0,0,0,0|2,0,0]=4 11994 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100000102301_100020588543 [0,2,0,0,0,0|2,0,0]=4 11995 B12R0.142 CCCCNC(=O)NCC(C)CC 273464a_100020588543_100000102301 [0,2,0,0,0,0|2,0,0]=4 11996 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100000102301_100020588543 [0,2,0,0,0,0|2,0,0]=4 11997 B12R0.142 CCCCNC(=O)NCC(C)CC 512a_100020588543_100000102301 [0,2,0,0,0,0|2,0,0]=4 11998 B12R0.142 CCCCNC(=O)NCC(C)CO 2708a_100000102301_100000744482 [0,2,0,0,0,0|2,0,0]=4 11999 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000102301_100000744482 [0,2,0,0,0,0|2,0,0]=4 12000 B12R0.142 CCCCNC(=O)NCC(C)CO 273464a_100000744482_100000102301 [0,2,0,0,0,0|2,0,0]=4 12001 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000102301_100000744482 [0,2,0,0,0,0|2,0,0]=4 12002 B12R0.142 CCCCNC(=O)NCC(C)CO 512a_100000744482_100000102301 [0,2,0,0,0,0|2,0,0]=4 12003 B12R0.142 CCCCNC(=O)NCC(O)CC 2708a_100000102301_100011218483 [0,2,0,0,0,0|2,0,0]=4 12004 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100000102301_100011218483 [0,2,0,0,0,0|2,0,0]=4 12005 B12R0.142 CCCCNC(=O)NCC(O)CC 273464a_100011218483_100000102301 [0,2,0,0,0,0|2,0,0]=4 12006 B12R0.142 CCCCNC(=O)NCC(O)CC 512a_100011218483_100000102301 [0,2,0,0,0,0|2,0,0]=4 12007 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100000102301_100020591295 [0,2,0,0,0,0|2,0,0]=4 12008 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100000102301 [0,2,0,0,0,0|2,0,0]=4 12009 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100000102301_100020591295 [0,2,0,0,0,0|2,0,0]=4 12010 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100000102301 [0,2,0,0,0,0|2,0,0]=4 12011 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100000102301_100020591295 [0,2,0,0,0,0|2,0,0]=4 12012 B12R0.142 CCCCNC(=O)NC[C@@H](C)OC 512a_100020591295_100000102301 [0,2,0,0,0,0|2,0,0]=4 12013 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 2708a_100000102301_100015665980 [0,2,0,0,0,0|2,0,0]=4 12014 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100000102301_100015665980 [0,2,0,0,0,0|2,0,0]=4 12015 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100000102301 [0,2,0,0,0,0|2,0,0]=4 12016 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100000102301_100015665980 [0,2,0,0,0,0|2,0,0]=4 12017 B12R0.142 CCCCNC(=O)NC[C@@H](F)CO 512a_100015665980_100000102301 [0,2,0,0,0,0|2,0,0]=4 12018 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 2708a_100000102301_100020644852 [0,2,0,0,0,0|2,0,0]=4 12019 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100000102301_100020644852 [0,2,0,0,0,0|2,0,0]=4 12020 B12R0.142 CCCCNC(=O)NC[C@H](O)CO 273464a_100020644852_100000102301 [0,2,0,0,0,0|2,0,0]=4 12021 B12R0.142 CCCCNC(=O)NNC(C)CC 273464a_100000102301_100000718999 [0,2,0,0,0,0|2,0,0]=4 12022 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000102301_100000718999 [0,2,0,0,0,0|2,0,0]=4 12023 B12R0.142 CCCCNC(=O)NNC(C)CC 512a_100000718999_100000102301 [0,2,0,0,0,0|2,0,0]=4 12024 B12R0.142 CCCCOC(=O)CNC(C)CC 2230a_100000209981_100000211628 [0,2,0,0,0,0|1,0,0]=3 12025 B12R0.142 CCCCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000211628 [0,2,0,0,0,0|2,0,0]=4 12026 B12R0.142 CCCCOC(=O)COC(C)CC 7a_100000210228_100000211628 [0,2,0,0,0,0|1,0,0]=3 12027 B12R0.142 CCCCOC(=O)COC(C)CF 34a_100016041109_100000211628 [0,2,0,0,0,0|2,0,0]=4 12028 B12R0.142 CCCCOC(=O)COC(C)CF 7a_100016041109_100000211628 [0,2,0,0,0,0|2,0,0]=4 12029 B12R0.142 CCCCOC(=O)COC(C)CN 34a_100000210904_100000211628 [0,2,0,0,0,0|2,0,0]=4 12030 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000211628_100000758301 [0,2,0,0,0,0|1,0,0]=3 12031 B12R0.142 CCCCOC(=O)CSC(C)CC 62a_100000758301_100000211628 [0,2,0,0,0,0|1,0,0]=3 12032 B12R0.142 CCCCOC(=O)CSC(C)CO 62a_100012180447_100000211628 [0,2,0,0,0,0|2,0,0]=4 12033 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100000211628_100009879195 [0,2,0,0,0,0|2,0,0]=4 12034 B12R0.142 CCCCOC(=O)CSC(C)OC 62a_100009879195_100000211628 [0,2,0,0,0,0|2,0,0]=4 12035 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100000211628_100016084084 [0,2,0,0,0,0|2,0,0]=4 12036 B12R0.142 CCCCOC(=O)CS[C@H](C)CO 62a_100016084084_100000211628 [0,2,0,0,0,0|2,0,0]=4 12037 B12R0.142 CCCCOC(C)CCC(C)CC 7a_200011216552_100000210211 [0,2,0,0,0,0|1,0,1]=4 12038 B12R0.142 CCCNNC(=O)CCC(C)CC 22a_100000740057_100000701222 [0,2,0,0,0,0|1,0,0]=3 12039 B12R0.142 CCCNNC(=O)CCC(O)CC 22a_100000740057_203496584001 [0,2,0,0,0,0|1,0,0]=3 12040 B12R0.142 CCCNNC(=O)CCN(C)CC 22a_100000740057_100000755305 [0,2,0,0,0,0|2,0,0]=4 12041 B12R0.142 CCCNNC(=O)NCC(C)CC 273464a_100020588543_100000740057 [0,2,0,0,0,0|2,0,0]=4 12042 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100000740057_100020588543 [0,2,0,0,0,0|2,0,0]=4 12043 B12R0.142 CCCNNC(=O)NCC(C)CC 512a_100020588543_100000740057 [0,2,0,0,0,0|2,0,0]=4 12044 B12R0.142 CCCNNC(=O)NCC(O)CC 273464a_100011218483_100000740057 [0,2,0,0,0,0|2,0,0]=4 12045 B12R0.142 CCCNNC(=O)NCC(O)CC 512a_100011218483_100000740057 [0,2,0,0,0,0|2,0,0]=4 12046 B12R0.142 CCCOCC(=O)CCC(=O)OC 34a_100000210258_100000691467 [0,2,0,0,0,0|1,0,1]=4 12047 B12R0.142 CCCOCC(=O)NCC(C)CC 11a_100020588543_100000745993 [0,2,0,0,0,0|1,0,0]=3 12048 B12R0.142 CCCOCC(=O)NCC(C)CC 1626a_100020588543_100000745993 [0,2,0,0,0,0|1,0,0]=3 12049 B12R0.142 CCCOCC(=O)NCC(C)CC 240690a_100020588543_100000745993 [0,2,0,0,0,0|1,0,0]=3 12050 B12R0.142 CCCOCC(=O)NCC(C)CC 527a_100020588543_100000745993 [0,2,0,0,0,0|1,0,0]=3 12051 B12R0.142 CCCOCC(=O)NCC(C)CO 240690a_100000744482_100000745993 [0,2,0,0,0,0|2,0,0]=4 12052 B12R0.142 CCCOCC(=O)NCC(C)CO 527a_100000744482_100000745993 [0,2,0,0,0,0|2,0,0]=4 12053 B12R0.142 CCCOCC(=O)NCC(O)CC 11a_100011218483_100000745993 [0,2,0,0,0,0|1,0,0]=3 12054 B12R0.142 CCCOCC(=O)NCC(O)CC 240690a_100011218483_100000745993 [0,2,0,0,0,0|1,0,0]=3 12055 B12R0.142 CCCOCC(=O)NCC(O)CC 527a_100011218483_100000745993 [0,2,0,0,0,0|1,0,0]=3 12056 B12R0.142 CCCOCC(=O)NCC(O)CO 34a_100000210258_200012027429 [0,2,0,0,0,0|2,0,0]=4 12057 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000745993 [0,2,0,0,0,0|2,0,0]=4 12058 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000745993 [0,2,0,0,0,0|2,0,0]=4 12059 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000745993 [0,2,0,0,0,0|2,0,0]=4 12060 B12R0.142 CCCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000745993 [0,2,0,0,0,0|2,0,0]=4 12061 B12R0.142 CCCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000745993 [0,2,0,0,0,0|2,0,0]=4 12062 B12R0.142 CCCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000745993 [0,2,0,0,0,0|2,0,0]=4 12063 B12R0.142 CCCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000745993 [0,2,0,0,0,0|2,0,0]=4 12064 B12R0.142 CCCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000745993 [0,2,0,0,0,0|2,0,0]=4 12065 B12R0.142 CCCOCC(=O)NNC(C)CC 22a_100000718999_100000745993 [0,2,0,0,0,0|2,0,0]=4 12066 B12R0.142 CCCSCC(=O)NCC(C)CC 11a_100020588543_100000217233 [0,2,0,0,0,0|1,1,0]=4 12067 B12R0.142 CCCSCC(=O)NCC(C)CC 1626a_100020588543_100000217233 [0,2,0,0,0,0|1,1,0]=4 12068 B12R0.142 CCCSCC(=O)NCC(C)CC 240690a_100020588543_100000217233 [0,2,0,0,0,0|1,1,0]=4 12069 B12R0.142 CCCSCC(=O)NCC(C)CC 527a_100020588543_100000217233 [0,2,0,0,0,0|1,1,0]=4 12070 B12R0.142 CCCSCC(=O)NCC(C)CO 240690a_100000744482_100000217233 [0,2,0,0,0,0|2,0,0]=4 12071 B12R0.142 CCCSCC(=O)NCC(C)CO 527a_100000744482_100000217233 [0,2,0,0,0,0|2,0,0]=4 12072 B12R0.142 CCCSCC(=O)NCC(O)CC 11a_100011218483_100000217233 [0,2,0,0,0,0|1,1,0]=4 12073 B12R0.142 CCCSCC(=O)NCC(O)CC 240690a_100011218483_100000217233 [0,2,0,0,0,0|1,1,0]=4 12074 B12R0.142 CCCSCC(=O)NCC(O)CC 527a_100011218483_100000217233 [0,2,0,0,0,0|1,1,0]=4 12075 B12R0.142 CCCSCC(=O)NCC(O)CO 62a_100000210303_200012027429 [0,2,0,0,0,0|2,0,0]=4 12076 B12R0.142 CCCSCC(=O)NCC(O)CO 62a_200012027429_100000210303 [0,2,0,0,0,0|2,0,0]=4 12077 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 11a_100020591295_100000217233 [0,2,0,0,0,0|2,0,0]=4 12078 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000217233 [0,2,0,0,0,0|2,0,0]=4 12079 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000217233 [0,2,0,0,0,0|2,0,0]=4 12080 B12R0.142 CCCSCC(=O)NC[C@@H](C)OC 527a_100020591295_100000217233 [0,2,0,0,0,0|2,0,0]=4 12081 B12R0.142 CCCSCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000217233 [0,2,0,0,0,0|2,0,0]=4 12082 B12R0.142 CCCSCC(=O)NC[C@@H](F)CO 527a_100015665980_100000217233 [0,2,0,0,0,0|2,0,0]=4 12083 B12R0.142 CCCSCC(=O)NC[C@H](O)CO 240690a_100020644852_100000217233 [0,2,0,0,0,0|2,0,0]=4 12084 B12R0.142 CCCSCC(=O)NC[C@H](O)CO 527a_100020644852_100000217233 [0,2,0,0,0,0|2,0,0]=4 12085 B12R0.142 CCCSCC(=O)NNC(C)CC 22a_100000718999_100000217233 [0,2,0,0,0,0|2,0,0]=4 12086 B12R0.142 CCN(C)CCC(=O)CCCCF 1458a_100000755305_100000729493 [0,2,0,0,0,0|2,0,0]=4 12087 B12R0.142 CCN(C)CCC(=O)CCCCO 1458a_100000755305_100000210776 [0,2,0,0,0,0|2,0,0]=4 12088 B12R0.142 CCN(C)CCC(=O)CCCOC 1458a_100000755305_100000740836 [0,2,0,0,0,0|2,0,0]=4 12089 B12R0.142 CCN(C)CCC(=O)NCCCF 240690a_100015189416_100000755305 [0,2,0,0,0,0|2,0,0]=4 12090 B12R0.142 CCN(C)CCC(=O)NCCCO 240690a_100000182051_100000755305 [0,2,0,0,0,0|2,0,0]=4 12091 B12R0.142 CCN(C)CCC(=O)NCCOC 240690a_100000209980_100000755305 [0,2,0,0,0,0|2,0,0]=4 12092 B12R0.142 CCN(C)CCC(=O)NCCSC 240690a_100020590264_100000755305 [0,2,0,0,0,0|2,0,0]=4 12093 B12R0.142 CCOCCC(=O)CCC(C)CC 1458a_100000701222_100011215890 [0,2,0,0,0,0|1,0,0]=3 12094 B12R0.142 CCOCCC(=O)CCN(C)CC 1458a_100000755305_100011215890 [0,2,0,0,0,0|2,0,0]=4 12095 B12R0.142 CCOCCC(=O)CCS(=O)CC 1458a_100011387550_100011215890 [0,2,0,0,0,0|2,0,0]=4 12096 B12R0.142 CCOCCC(=O)NCC(C)CC 11a_100020588543_100000749530 [0,2,0,0,0,0|2,0,0]=4 12097 B12R0.142 CCOCCC(=O)NCC(C)CC 1626a_100020588543_100000749530 [0,2,0,0,0,0|2,0,0]=4 12098 B12R0.142 CCOCCC(=O)NCC(C)CC 240690a_100020588543_100000749530 [0,2,0,0,0,0|2,0,0]=4 12099 B12R0.142 CCOCCC(=O)NCC(C)CC 527a_100020588543_100000749530 [0,2,0,0,0,0|2,0,0]=4 12100 B12R0.142 CCOCCC(=O)NCC(C)CO 240690a_100000744482_100000749530 [0,2,0,0,0,0|2,0,0]=4 12101 B12R0.142 CCOCCC(=O)NCC(C)CO 527a_100000744482_100000749530 [0,2,0,0,0,0|2,0,0]=4 12102 B12R0.142 CCOCCC(=O)NCC(O)CC 11a_100011218483_100000749530 [0,2,0,0,0,0|2,0,0]=4 12103 B12R0.142 CCOCCC(=O)NCC(O)CC 240690a_100011218483_100000749530 [0,2,0,0,0,0|2,0,0]=4 12104 B12R0.142 CCOCCC(=O)NCC(O)CC 527a_100011218483_100000749530 [0,2,0,0,0,0|2,0,0]=4 12105 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000749530 [0,2,0,0,0,0|2,0,0]=4 12106 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000749530 [0,2,0,0,0,0|2,0,0]=4 12107 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000749530 [0,2,0,0,0,0|2,0,0]=4 12108 B12R0.142 CCOCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000749530 [0,2,0,0,0,0|2,0,0]=4 12109 B12R0.142 CCOCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000749530 [0,2,0,0,0,0|2,0,0]=4 12110 B12R0.142 CCOCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000749530 [0,2,0,0,0,0|2,0,0]=4 12111 B12R0.142 CCOCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000749530 [0,2,0,0,0,0|2,0,0]=4 12112 B12R0.142 CCOCCC(=O)NC[C@H](O)CO 527a_100020644852_100000749530 [0,2,0,0,0,0|2,0,0]=4 12113 B12R0.142 CCOCCC(=O)NNC(C)CC 22a_100000718999_100000749530 [0,2,0,0,0,0|2,0,0]=4 12114 B12R0.142 CCS(=O)CCC(=O)CCCCF 1458a_100011387550_100000729493 [0,2,0,0,0,0|2,0,0]=4 12115 B12R0.142 CCS(=O)CCC(=O)CCCCO 1458a_100011387550_100000210776 [0,2,0,0,0,0|2,0,0]=4 12116 B12R0.142 CCS(=O)CCC(=O)CCCOC 1458a_100011387550_100000740836 [0,2,0,0,0,0|2,0,0]=4 12117 B12R0.142 CCS(=O)CCC(=O)NCCCF 11a_100015189416_100011387550 [0,2,0,0,0,0|2,0,0]=4 12118 B12R0.142 CCS(=O)CCC(=O)NCCCF 1626a_100015189416_100011387550 [0,2,0,0,0,0|2,0,0]=4 12119 B12R0.142 CCS(=O)CCC(=O)NCCCF 240690a_100015189416_100011387550 [0,2,0,0,0,0|2,0,0]=4 12120 B12R0.142 CCS(=O)CCC(=O)NCCCF 527a_100015189416_100011387550 [0,2,0,0,0,0|2,0,0]=4 12121 B12R0.142 CCS(=O)CCC(=O)NCCCO 240690a_100000182051_100011387550 [0,2,0,0,0,0|2,0,0]=4 12122 B12R0.142 CCS(=O)CCC(=O)NCCCO 527a_100000182051_100011387550 [0,2,0,0,0,0|2,0,0]=4 12123 B12R0.142 CCS(=O)CCC(=O)NCCOC 1626a_100000209980_100011387550 [0,2,0,0,0,0|2,0,0]=4 12124 B12R0.142 CCS(=O)CCC(=O)NCCOC 240690a_100000209980_100011387550 [0,2,0,0,0,0|2,0,0]=4 12125 B12R0.142 CCS(=O)CCC(=O)NCCOC 527a_100000209980_100011387550 [0,2,0,0,0,0|2,0,0]=4 12126 B12R0.142 CCS(=O)CCC(=O)NCCSC 11a_100020590264_100011387550 [0,2,0,0,0,0|2,0,0]=4 12127 B12R0.142 CCS(=O)CCC(=O)NCCSC 1626a_100020590264_100011387550 [0,2,0,0,0,0|2,0,0]=4 12128 B12R0.142 CCS(=O)CCC(=O)NCCSC 240690a_100020590264_100011387550 [0,2,0,0,0,0|2,0,0]=4 12129 B12R0.142 CCS(=O)CCC(=O)NCCSC 527a_100020590264_100011387550 [0,2,0,0,0,0|2,0,0]=4 12130 B12R0.142 CCSCCC(=O)CCC(C)CC 1458a_100000701222_100000757381 [0,2,0,0,0,0|1,0,0]=3 12131 B12R0.142 CCSCCC(=O)CCN(C)CC 1458a_100000755305_100000757381 [0,2,0,0,0,0|2,0,0]=4 12132 B12R0.142 CCSCCC(=O)CCS(=O)CC 1458a_100011387550_100000757381 [0,2,0,0,0,0|2,0,0]=4 12133 B12R0.142 CCSCCC(=O)NCC(C)CC 11a_100020588543_100000230768 [0,2,0,0,0,0|2,0,0]=4 12134 B12R0.142 CCSCCC(=O)NCC(C)CC 1626a_100020588543_100000230768 [0,2,0,0,0,0|2,0,0]=4 12135 B12R0.142 CCSCCC(=O)NCC(C)CC 240690a_100020588543_100000230768 [0,2,0,0,0,0|2,0,0]=4 12136 B12R0.142 CCSCCC(=O)NCC(C)CC 527a_100020588543_100000230768 [0,2,0,0,0,0|2,0,0]=4 12137 B12R0.142 CCSCCC(=O)NCC(C)CO 240690a_100000744482_100000230768 [0,2,0,0,0,0|2,0,0]=4 12138 B12R0.142 CCSCCC(=O)NCC(C)CO 527a_100000744482_100000230768 [0,2,0,0,0,0|2,0,0]=4 12139 B12R0.142 CCSCCC(=O)NCC(O)CC 11a_100011218483_100000230768 [0,2,0,0,0,0|2,0,0]=4 12140 B12R0.142 CCSCCC(=O)NCC(O)CC 240690a_100011218483_100000230768 [0,2,0,0,0,0|2,0,0]=4 12141 B12R0.142 CCSCCC(=O)NCC(O)CC 527a_100011218483_100000230768 [0,2,0,0,0,0|2,0,0]=4 12142 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000230768 [0,2,0,0,0,0|2,0,0]=4 12143 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000230768 [0,2,0,0,0,0|2,0,0]=4 12144 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000230768 [0,2,0,0,0,0|2,0,0]=4 12145 B12R0.142 CCSCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000230768 [0,2,0,0,0,0|2,0,0]=4 12146 B12R0.142 CCSCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000230768 [0,2,0,0,0,0|2,0,0]=4 12147 B12R0.142 CCSCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000230768 [0,2,0,0,0,0|2,0,0]=4 12148 B12R0.142 CCSCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000230768 [0,2,0,0,0,0|2,0,0]=4 12149 B12R0.142 CCSCCC(=O)NC[C@H](O)CO 527a_100020644852_100000230768 [0,2,0,0,0,0|2,0,0]=4 12150 B12R0.142 CCSCCC(=O)NNC(C)CC 22a_100000718999_100000230768 [0,2,0,0,0,0|2,0,0]=4 12151 B12R0.142 COCCCC(=O)NCC(C)CO 240690a_100000744482_100000741012 [0,2,0,0,0,0|2,0,0]=4 12152 B12R0.142 COCCCC(=O)NCC(C)CO 527a_100000744482_100000741012 [0,2,0,0,0,0|2,0,0]=4 12153 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000741012 [0,2,0,0,0,0|2,0,0]=4 12154 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000741012 [0,2,0,0,0,0|2,0,0]=4 12155 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000741012 [0,2,0,0,0,0|2,0,0]=4 12156 B12R0.142 COCCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000741012 [0,2,0,0,0,0|2,0,0]=4 12157 B12R0.142 COCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000741012 [0,2,0,0,0,0|2,0,0]=4 12158 B12R0.142 COCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000741012 [0,2,0,0,0,0|2,0,0]=4 12159 B12R0.142 COCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000741012 [0,2,0,0,0,0|2,0,0]=4 12160 B12R0.142 COCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000741012 [0,2,0,0,0,0|2,0,0]=4 12161 B12R0.142 COCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200000040189 [0,2,0,0,0,0|2,0,0]=4 12162 B12R0.142 COCCOC(=O)COC(C)CF 34a_100016041109_200000040189 [0,2,0,0,0,0|2,0,0]=4 12163 B12R0.142 COCCOC(=O)COC(C)CF 7a_100016041109_200000040189 [0,2,0,0,0,0|2,0,0]=4 12164 B12R0.142 COCCOC(=O)COC(C)CN 34a_100000210904_200000040189 [0,2,0,0,0,0|2,0,0]=4 12165 B12R0.142 COCCOC(=O)CSC(C)CO 62a_100012180447_200000040189 [0,2,0,0,0,0|2,0,0]=4 12166 B12R0.142 COCCOC(=O)CSC(C)OC 62a_100009879195_200000040189 [0,2,0,0,0,0|2,0,0]=4 12167 B12R0.142 COCCOC(=O)CSC(C)OC 62a_200000040189_100009879195 [0,2,0,0,0,0|2,0,0]=4 12168 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_100016084084_200000040189 [0,2,0,0,0,0|2,0,0]=4 12169 B12R0.142 COCCOC(=O)CS[C@H](C)CO 62a_200000040189_100016084084 [0,2,0,0,0,0|2,0,0]=4 12170 B12R0.142 CO[C@H](C)CNC(=O)CCCCO 1626a_100020591295_100000695505 [0,2,0,0,0,0|2,0,0]=4 12171 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 11a_100020591295_100000173376 [0,2,0,0,0,0|2,0,0]=4 12172 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 1626a_100020591295_100000173376 [0,2,0,0,0,0|2,0,0]=4 12173 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 240690a_100020591295_100000173376 [0,2,0,0,0,0|2,0,0]=4 12174 B12R0.142 CO[C@H](C)CNC(=O)CCCSC 527a_100020591295_100000173376 [0,2,0,0,0,0|2,0,0]=4 12175 B12R0.142 CSCCCC(=O)NCC(C)CO 240690a_100000744482_100000173376 [0,2,0,0,0,0|2,0,0]=4 12176 B12R0.142 CSCCCC(=O)NCC(C)CO 527a_100000744482_100000173376 [0,2,0,0,0,0|2,0,0]=4 12177 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000173376 [0,2,0,0,0,0|2,0,0]=4 12178 B12R0.142 CSCCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000173376 [0,2,0,0,0,0|2,0,0]=4 12179 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000173376 [0,2,0,0,0,0|2,0,0]=4 12180 B12R0.142 CSCCCC(=O)NC[C@H](O)CO 527a_100020644852_100000173376 [0,2,0,0,0,0|2,0,0]=4 12181 B12R0.189 C=C(C)CCC(=O)CCC(C)CC 1458a_100000701222_100000730704 [0,2,0,0,0,0|1,0,1]=4 12182 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 11a_100000765925_100000701222 [0,2,0,0,0,0|1,0,1]=4 12183 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 1626a_100000765925_100000701222 [0,2,0,0,0,0|1,0,1]=4 12184 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 240690a_100000765925_100000701222 [0,2,0,0,0,0|1,0,1]=4 12185 B12R0.189 C=C(C)CNC(=O)CCC(C)CC 527a_100000765925_100000701222 [0,2,0,0,0,0|1,0,1]=4 12186 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 1626a_100000765925_203496584001 [0,2,0,0,0,0|1,0,1]=4 12187 B12R0.189 C=C(C)CNC(=O)CCC(O)CC 240690a_100000765925_203496584001 [0,2,0,0,0,0|1,0,1]=4 12188 B12R0.189 CCC(C)CCC(=O)CCC(C)C 1458a_100000701222_100000210312 [0,2,0,0,0,0|1,0,0]=3 12189 B12R0.189 CCC(C)CCC(=O)CCC(C)O 1458a_100000701222_100012276601 [0,2,0,0,0,0|1,0,0]=3 12190 B12R0.189 CCC(C)CCC(=O)NCC(C)C 11a_100000210953_100000701222 [0,2,0,0,0,0|1,0,0]=3 12191 B12R0.189 CCC(C)CCC(=O)NCC(C)C 1626a_100000210953_100000701222 [0,2,0,0,0,0|1,0,0]=3 12192 B12R0.189 CCC(C)CCC(=O)NCC(C)C 240690a_100000210953_100000701222 [0,2,0,0,0,0|1,0,0]=3 12193 B12R0.189 CCC(C)CCC(=O)NCC(C)C 527a_100000210953_100000701222 [0,2,0,0,0,0|1,0,0]=3 12194 B12R0.189 CCC(C)CCC(=O)NCC(C)O 11a_100000210904_100000701222 [0,2,0,0,0,0|1,0,0]=3 12195 B12R0.189 CCC(C)CCC(=O)NCC(C)O 240690a_100000210904_100000701222 [0,2,0,0,0,0|1,0,0]=3 12196 B12R0.189 CCC(C)CCC(=O)NCC(C)O 527a_100000210904_100000701222 [0,2,0,0,0,0|1,0,0]=3 12197 B12R0.189 CCC(C)CCC(=O)NCC(F)F 11a_100000765723_100000701222 [0,2,0,0,0,0|2,0,0]=4 12198 B12R0.189 CCC(C)CCC(=O)NCC(F)F 1626a_100000765723_100000701222 [0,2,0,0,0,0|2,0,0]=4 12199 B12R0.189 CCC(C)CCC(=O)NCC(F)F 240690a_100000765723_100000701222 [0,2,0,0,0,0|2,0,0]=4 12200 B12R0.189 CCC(C)CCC(=O)NCC(F)F 527a_100000765723_100000701222 [0,2,0,0,0,0|2,0,0]=4 12201 B12R0.189 CCC(C)CCC(=O)NNC(C)C 22a_100000741168_100000701222 [0,2,0,0,0,0|2,0,0]=4 12202 B12R0.189 CCC(C)CCC(C)OCC(C)C 7a_200011216552_100000210760 [0,2,0,0,0,0|1,0,1]=4 12203 B12R0.189 CCC(C)CCC(C)OCC(C)O 7a_200011216552_100011218427 [0,2,0,0,0,0|1,0,1]=4 12204 B12R0.189 CCC(C)CCC(C)OC[C@@H](C)O 7a_200011216552_100009817552 [0,2,0,0,0,0|1,0,1]=4 12205 B12R0.189 CCC(C)CNC(=O)CCC(C)C 11a_100020588543_100000181311 [0,2,0,0,0,0|2,0,0]=4 12206 B12R0.189 CCC(C)CNC(=O)CCC(C)C 1626a_100020588543_100000181311 [0,2,0,0,0,0|2,0,0]=4 12207 B12R0.189 CCC(C)CNC(=O)CCC(C)C 240690a_100020588543_100000181311 [0,2,0,0,0,0|2,0,0]=4 12208 B12R0.189 CCC(C)CNC(=O)CCC(C)C 527a_100020588543_100000181311 [0,2,0,0,0,0|2,0,0]=4 12209 B12R0.189 CCC(C)CNC(=O)CCC(C)O 1626a_100020588543_100000718519 [0,2,0,0,0,0|2,0,0]=4 12210 B12R0.189 CCC(C)CNC(=O)NCC(C)C 2708a_100000210953_100020588543 [0,2,0,0,0,0|2,0,0]=4 12211 B12R0.189 CCC(C)CNC(=O)NCC(C)C 2708a_100020588543_100000210953 [0,2,0,0,0,0|2,0,0]=4 12212 B12R0.189 CCC(C)CNC(=O)NCC(C)C 273464a_100000210953_100020588543 [0,2,0,0,0,0|2,0,0]=4 12213 B12R0.189 CCC(C)CNC(=O)NCC(C)C 273464a_100020588543_100000210953 [0,2,0,0,0,0|2,0,0]=4 12214 B12R0.189 CCC(C)CNC(=O)NCC(C)C 512a_100000210953_100020588543 [0,2,0,0,0,0|2,0,0]=4 12215 B12R0.189 CCC(C)CNC(=O)NCC(C)C 512a_100020588543_100000210953 [0,2,0,0,0,0|2,0,0]=4 12216 B12R0.189 CCC(C)CNC(=O)NCC(C)O 2708a_100020588543_100000210904 [0,2,0,0,0,0|2,0,0]=4 12217 B12R0.189 CCC(C)CNC(=O)NCC(C)O 273464a_100000210904_100020588543 [0,2,0,0,0,0|2,0,0]=4 12218 B12R0.189 CCC(C)CNC(=O)NCC(C)O 273464a_100020588543_100000210904 [0,2,0,0,0,0|2,0,0]=4 12219 B12R0.189 CCC(C)CNC(=O)NCC(C)O 512a_100000210904_100020588543 [0,2,0,0,0,0|2,0,0]=4 12220 B12R0.189 CCC(C)CNC(=O)NCC(C)O 512a_100020588543_100000210904 [0,2,0,0,0,0|2,0,0]=4 12221 B12R0.189 CCC(C)NCC(=O)NCC(C)C 2230a_100000209981_100000183291 [0,2,0,0,0,0|2,0,0]=4 12222 B12R0.189 CCC(C)OCC(=O)NCC(C)C 7a_100000210228_100000183291 [0,2,0,0,0,0|2,0,0]=4 12223 B12R0.189 CCC(C)SCC(=O)NCC(C)C 62a_100000183291_100000758301 [0,2,0,0,0,0|2,0,0]=4 12224 B12R0.189 CCC(C)SCC(=O)NCC(C)C 62a_100000758301_100000183291 [0,2,0,0,0,0|2,0,0]=4 12225 B12R0.189 CCC(O)CCC(=O)NCC(C)C 1626a_100000210953_203496584001 [0,2,0,0,0,0|1,0,0]=3 12226 B12R0.189 CCC(O)CCC(=O)NCC(C)C 240690a_100000210953_203496584001 [0,2,0,0,0,0|1,0,0]=3 12227 B12R0.189 CCC(O)CCC(=O)NCC(C)O 240690a_100000210904_203496584001 [0,2,0,0,0,0|1,0,0]=3 12228 B12R0.189 CCC(O)CCC(=O)NCC(F)F 1626a_100000765723_203496584001 [0,2,0,0,0,0|2,0,0]=4 12229 B12R0.189 CCC(O)CCC(=O)NCC(F)F 240690a_100000765723_203496584001 [0,2,0,0,0,0|2,0,0]=4 12230 B12R0.189 CCC(O)CCC(=O)NNC(C)C 22a_100000741168_203496584001 [0,2,0,0,0,0|2,0,0]=4 12231 B12R0.189 CCC(O)CNC(=O)CCC(C)C 11a_100011218483_100000181311 [0,2,0,0,0,0|2,0,0]=4 12232 B12R0.189 CCC(O)CNC(=O)CCC(C)C 240690a_100011218483_100000181311 [0,2,0,0,0,0|2,0,0]=4 12233 B12R0.189 CCC(O)CNC(=O)CCC(C)C 527a_100011218483_100000181311 [0,2,0,0,0,0|2,0,0]=4 12234 B12R0.189 CCC(O)CNC(=O)NCC(C)C 2708a_100000210953_100011218483 [0,2,0,0,0,0|2,0,0]=4 12235 B12R0.189 CCC(O)CNC(=O)NCC(C)C 273464a_100000210953_100011218483 [0,2,0,0,0,0|2,0,0]=4 12236 B12R0.189 CCC(O)CNC(=O)NCC(C)C 273464a_100011218483_100000210953 [0,2,0,0,0,0|2,0,0]=4 12237 B12R0.189 CCC(O)CNC(=O)NCC(C)C 512a_100011218483_100000210953 [0,2,0,0,0,0|2,0,0]=4 12238 B12R0.189 CCC(O)CNC(=O)NCC(C)O 273464a_100000210904_100011218483 [0,2,0,0,0,0|2,0,0]=4 12239 B12R0.189 CCC(O)CNC(=O)NCC(C)O 273464a_100011218483_100000210904 [0,2,0,0,0,0|2,0,0]=4 12240 B12R0.189 CCC(O)CNC(=O)NCC(C)O 512a_100011218483_100000210904 [0,2,0,0,0,0|2,0,0]=4 12241 B12R0.189 CCN(C)CCC(=O)CCC(C)C 1458a_100000755305_100000210312 [0,2,0,0,0,0|2,0,0]=4 12242 B12R0.189 CCN(C)CCC(=O)CCC(C)O 1458a_100000755305_100012276601 [0,2,0,0,0,0|2,0,0]=4 12243 B12R0.189 CCN(C)CCC(=O)NCC(C)C 240690a_100000210953_100000755305 [0,2,0,0,0,0|2,0,0]=4 12244 B12R0.189 CCN(C)CCC(=O)NCC(C)O 240690a_100000210904_100000755305 [0,2,0,0,0,0|2,0,0]=4 12245 B12R0.189 CCS(=O)CCC(=O)CCC(C)C 1458a_100011387550_100000210312 [0,2,0,0,0,0|2,0,0]=4 12246 B12R0.189 CCS(=O)CCC(=O)CCC(C)O 1458a_100011387550_100012276601 [0,2,0,0,0,0|2,0,0]=4 12247 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 11a_100000210953_100011387550 [0,2,0,0,0,0|2,0,0]=4 12248 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 1626a_100000210953_100011387550 [0,2,0,0,0,0|2,0,0]=4 12249 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 240690a_100000210953_100011387550 [0,2,0,0,0,0|2,0,0]=4 12250 B12R0.189 CCS(=O)CCC(=O)NCC(C)C 527a_100000210953_100011387550 [0,2,0,0,0,0|2,0,0]=4 12251 B12R0.189 CCS(=O)CCC(=O)NCC(C)O 11a_100000210904_100011387550 [0,2,0,0,0,0|2,0,0]=4 12252 B12R0.189 CCS(=O)CCC(=O)NCC(C)O 240690a_100000210904_100011387550 [0,2,0,0,0,0|2,0,0]=4 12253 B12R0.189 CCS(=O)CCC(=O)NCC(C)O 527a_100000210904_100011387550 [0,2,0,0,0,0|2,0,0]=4 12254 B12R0.255 C#CCCCCC(=O)CCC(C)C 1458a_100000181311_100010269958 [0,2,0,0,0,0|1,0,1]=4 12255 B12R0.255 C#CCCCCC(=O)CCC(C)C 1458a_100000696528_100000210312 [0,2,0,0,0,0|1,0,1]=4 12256 B12R0.255 C#CCCCCC(=O)CCC(C)O 1458a_100000696528_100012276601 [0,2,0,0,0,0|1,0,1]=4 12257 B12R0.255 C#CCCCCC(=O)NCC(C)C 11a_100000210953_100000696528 [0,2,0,0,0,0|1,0,1]=4 12258 B12R0.255 C#CCCCCC(=O)NCC(C)C 1626a_100000210953_100000696528 [0,2,0,0,0,0|1,0,1]=4 12259 B12R0.255 C#CCCCCC(=O)NCC(C)C 240690a_100000210953_100000696528 [0,2,0,0,0,0|1,0,1]=4 12260 B12R0.255 C#CCCCCC(=O)NCC(C)C 527a_100000210953_100000696528 [0,2,0,0,0,0|1,0,1]=4 12261 B12R0.255 C#CCCCCC(=O)NCC(C)O 11a_100000210904_100000696528 [0,2,0,0,0,0|1,0,1]=4 12262 B12R0.255 C#CCCCCC(=O)NCC(C)O 240690a_100000210904_100000696528 [0,2,0,0,0,0|1,0,1]=4 12263 B12R0.255 C#CCCCCC(=O)NCC(C)O 527a_100000210904_100000696528 [0,2,0,0,0,0|1,0,1]=4 12264 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_100102632555_100000730704 [0,2,0,0,0,0|1,0,1]=4 12265 B12R0.255 C=C(C)CCC(=O)CCCCCC 1458a_200000688413_100000210757 [0,2,0,0,0,0|1,0,1]=4 12266 B12R0.255 C=C(C)CCC(=O)CCCCCF 1458a_200000688413_100000729378 [0,2,0,0,0,0|1,0,1]=4 12267 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_100102619762_100000730704 [0,2,0,0,0,0|1,0,1]=4 12268 B12R0.255 C=C(C)CCC(=O)CCCCCO 1458a_200000688413_100000746330 [0,2,0,0,0,0|1,0,1]=4 12269 B12R0.255 C=C(C)CCC(=O)CCCCOC 1458a_200000688413_100000755781 [0,2,0,0,0,0|1,0,1]=4 12270 B12R0.255 C=C(C)CCC(=O)CCCOCC 1458a_200000688413_100012232248 [0,2,0,0,0,0|1,0,1]=4 12271 B12R0.255 C=C(C)CCC(=O)CCOCCC 1458a_200000688413_100011215938 [0,2,0,0,0,0|1,0,1]=4 12272 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_100000757543_100000730704 [0,2,0,0,0,0|1,0,1]=4 12273 B12R0.255 C=C(C)CCC(=O)COCCCC 1458a_200000688413_100011995733 [0,2,0,0,0,0|1,0,1]=4 12274 B12R0.255 C=C(C)CCC(=O)CSCCCC 1458a_100000191162_100000730704 [0,2,0,0,0,0|1,0,1]=4 12275 B12R0.255 C=C(C)CCC(=O)NCCCCC 11a_100000209983_200000688413 [0,2,0,0,0,0|1,0,1]=4 12276 B12R0.255 C=C(C)CCC(=O)NCCCCC 1626a_100000209983_200000688413 [0,2,0,0,0,0|1,0,1]=4 12277 B12R0.255 C=C(C)CCC(=O)NCCCCC 240690a_100000209983_200000688413 [0,2,0,0,0,0|1,0,1]=4 12278 B12R0.255 C=C(C)CCC(=O)NCCCCC 527a_100000209983_200000688413 [0,2,0,0,0,0|1,0,1]=4 12279 B12R0.255 C=C(C)CNC(=O)CCCCCC 11a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 12280 B12R0.255 C=C(C)CNC(=O)CCCCCC 1626a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 12281 B12R0.255 C=C(C)CNC(=O)CCCCCC 240690a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 12282 B12R0.255 C=C(C)CNC(=O)CCCCCC 527a_100000765925_100102632555 [0,2,0,0,0,0|1,0,1]=4 12283 B12R0.255 C=C(C)CNC(=O)CCCCCO 240690a_100000765925_100102619762 [0,2,0,0,0,0|1,0,1]=4 12284 B12R0.255 C=C(C)CNC(=O)COCCCC 11a_100000765925_100000757543 [0,2,0,0,0,0|1,0,1]=4 12285 B12R0.255 C=C(C)CNC(=O)COCCCC 1626a_100000765925_100000757543 [0,2,0,0,0,0|1,0,1]=4 12286 B12R0.255 C=C(C)CNC(=O)COCCCC 240690a_100000765925_100000757543 [0,2,0,0,0,0|1,0,1]=4 12287 B12R0.255 C=C(C)CNC(=O)COCCCC 527a_100000765925_100000757543 [0,2,0,0,0,0|1,0,1]=4 12288 B12R0.255 C=C(C)CNC(=O)CSCCCC 11a_100000765925_100000191162 [0,2,0,0,0,0|1,0,1]=4 12289 B12R0.255 C=C(C)CNC(=O)CSCCCC 1626a_100000765925_100000191162 [0,2,0,0,0,0|1,0,1]=4 12290 B12R0.255 C=C(C)CNC(=O)CSCCCC 240690a_100000765925_100000191162 [0,2,0,0,0,0|1,0,1]=4 12291 B12R0.255 C=C(C)CNC(=O)CSCCCC 527a_100000765925_100000191162 [0,2,0,0,0,0|1,0,1]=4 12292 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 12293 B12R0.255 C=C(C)CNC(=O)NCCCCC 2708a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 12294 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 12295 B12R0.255 C=C(C)CNC(=O)NCCCCC 273464a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 12296 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000209983_100000765925 [0,2,0,0,0,0|1,0,1]=4 12297 B12R0.255 C=C(C)CNC(=O)NCCCCC 512a_100000765925_100000209983 [0,2,0,0,0,0|1,0,1]=4 12298 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100000181311_100011215482 [0,2,0,0,0,0|1,0,1]=4 12299 B12R0.255 C=CCCCCC(=O)CCC(C)C 1458a_100011215552_100000210312 [0,2,0,0,0,0|1,0,1]=4 12300 B12R0.255 C=CCCCCC(=O)CCC(C)O 1458a_100011215552_100012276601 [0,2,0,0,0,0|1,0,1]=4 12301 B12R0.255 C=CCCCCC(=O)NCC(C)C 11a_100000210953_100011215552 [0,2,0,0,0,0|1,0,1]=4 12302 B12R0.255 C=CCCCCC(=O)NCC(C)C 1626a_100000210953_100011215552 [0,2,0,0,0,0|1,0,1]=4 12303 B12R0.255 C=CCCCCC(=O)NCC(C)C 240690a_100000210953_100011215552 [0,2,0,0,0,0|1,0,1]=4 12304 B12R0.255 C=CCCCCC(=O)NCC(C)C 527a_100000210953_100011215552 [0,2,0,0,0,0|1,0,1]=4 12305 B12R0.255 C=CCCCCC(=O)NCC(C)O 11a_100000210904_100011215552 [0,2,0,0,0,0|1,0,1]=4 12306 B12R0.255 C=CCCCCC(=O)NCC(C)O 240690a_100000210904_100011215552 [0,2,0,0,0,0|1,0,1]=4 12307 B12R0.255 C=CCCCCC(=O)NCC(C)O 527a_100000210904_100011215552 [0,2,0,0,0,0|1,0,1]=4 12308 B12R0.255 CC(C)C=CC(=O)CCCCCF 1458a_100016268746_100000729378 [0,2,0,0,0,0|1,0,1]=4 12309 B12R0.255 CC(C)C=CC(=O)CCCCCO 1458a_100016268746_100000746330 [0,2,0,0,0,0|1,0,1]=4 12310 B12R0.255 CC(C)CCC(=O)CCCCC#N 1458a_100000181311_100000211819 [0,2,0,0,0,0|1,0,1]=4 12311 B12R0.255 CC(C)CCC(=O)CCCCCF 1458a_100000181311_100000729378 [0,2,0,0,0,0|1,0,0]=3 12312 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100000181311_100000746330 [0,2,0,0,0,0|1,0,0]=3 12313 B12R0.255 CC(C)CCC(=O)CCCCCO 1458a_100102619762_100000210312 [0,2,0,0,0,0|1,0,0]=3 12314 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100000181311_100011215305 [0,2,0,0,0,0|2,0,0]=4 12315 B12R0.255 CC(C)CCC(=O)CCOCCO 1458a_100011229844_100000210312 [0,2,0,0,0,0|2,0,0]=4 12316 B12R0.255 CC(C)CCC(=O)NCCCCO 240690a_100000750430_100000181311 [0,2,0,0,0,0|2,0,0]=4 12317 B12R0.255 CC(C)CCC(=O)NCCCCO 527a_100000750430_100000181311 [0,2,0,0,0,0|2,0,0]=4 12318 B12R0.255 CC(C)CNC(=O)CCCCCO 240690a_100000210953_100102619762 [0,2,0,0,0,0|1,0,0]=3 12319 B12R0.255 CC(C)CNC(=O)CCCSCF 62a_100011194448_100015361967 [0,2,0,0,0,0|2,0,0]=4 12320 B12R0.255 CC(C)CNC(=O)CCCSCF 62a_100015361967_100011194448 [0,2,0,0,0,0|2,0,0]=4 12321 B12R0.255 CC(C)CNC(=O)CCOCCO 1626a_100000210953_100011229844 [0,2,0,0,0,0|2,0,0]=4 12322 B12R0.255 CC(C)CNC(=O)CCOCCO 240690a_100000210953_100011229844 [0,2,0,0,0,0|2,0,0]=4 12323 B12R0.255 CC(C)CNC(=O)CNCCCF 2230a_100015189416_100000183291 [0,2,0,0,0,0|2,0,0]=4 12324 B12R0.255 CC(C)CNC(=O)CNCCCF 34a_100015189416_100000183291 [0,2,0,0,0,0|2,0,0]=4 12325 B12R0.255 CC(C)CNC(=O)COCCCBr 34a_100011217188_100000183291 [0,2,0,0,0,0|2,0,0]=4 12326 B12R0.255 CC(C)CNC(=O)COCCCCl 34a_100000230001_100000183291 [0,2,0,0,0,0|2,0,0]=4 12327 B12R0.255 CC(C)CNC(=O)COCCCF 34a_100000759539_100000183291 [0,2,0,0,0,0|2,0,0]=4 12328 B12R0.255 CC(C)CNC(=O)COCCCN 34a_100000182051_100000183291 [0,2,0,0,0,0|2,0,0]=4 12329 B12R0.255 CC(C)CNC(=O)CSCCCF 62a_100000183291_100011934791 [0,2,0,0,0,0|2,0,0]=4 12330 B12R0.255 CC(C)CNC(=O)CSCCCF 62a_100011934791_100000183291 [0,2,0,0,0,0|2,0,0]=4 12331 B12R0.255 CC(C)CNC(=O)CSCCCO 62a_100000183291_100011215043 [0,2,0,0,0,0|2,0,0]=4 12332 B12R0.255 CC(C)CNC(=O)CSCCCO 62a_100011215043_100000183291 [0,2,0,0,0,0|2,0,0]=4 12333 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 12334 B12R0.255 CC(C)CNC(=O)NCCCCO 2708a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 12335 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 12336 B12R0.255 CC(C)CNC(=O)NCCCCO 273464a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 12337 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000210953_100000750430 [0,2,0,0,0,0|2,0,0]=4 12338 B12R0.255 CC(C)CNC(=O)NCCCCO 512a_100000750430_100000210953 [0,2,0,0,0,0|2,0,0]=4 12339 B12R0.255 CC(C)NNC(=O)CCCCCO 22a_100000741168_100102619762 [0,2,0,0,0,0|2,0,0]=4 12340 B12R0.255 CC(C)OCC(=O)CCCCCF 1458a_100000745533_100000729378 [0,2,0,0,0,0|2,0,0]=4 12341 B12R0.255 CC(C)OCC(=O)CCCCCO 1458a_100000745533_100000746330 [0,2,0,0,0,0|2,0,0]=4 12342 B12R0.255 CC(C)SCC(=O)CCCCCF 1458a_100000241585_100000729378 [0,2,0,0,0,0|2,0,0]=4 12343 B12R0.255 CC(C)SCC(=O)CCCCCO 1458a_100000241585_100000746330 [0,2,0,0,0,0|2,0,0]=4 12344 B12R0.255 CC(O)CCC(=O)CCCCCO 1458a_100102619762_100012276601 [0,2,0,0,0,0|1,0,0]=3 12345 B12R0.255 CC(O)CCC(=O)CCOCCO 1458a_100011229844_100012276601 [0,2,0,0,0,0|2,0,0]=4 12346 B12R0.255 CC(O)CNC(=O)CCCCCO 240690a_100000210904_100102619762 [0,2,0,0,0,0|1,0,0]=3 12347 B12R0.255 CC(O)CNC(=O)CCOCCO 240690a_100000210904_100011229844 [0,2,0,0,0,0|2,0,0]=4 12348 B12R0.255 CC(O)CNC(=O)NCCCCO 2708a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 12349 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000210904_100000750430 [0,2,0,0,0,0|2,0,0]=4 12350 B12R0.255 CC(O)CNC(=O)NCCCCO 273464a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 12351 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000210904_100000750430 [0,2,0,0,0,0|2,0,0]=4 12352 B12R0.255 CC(O)CNC(=O)NCCCCO 512a_100000750430_100000210904 [0,2,0,0,0,0|2,0,0]=4 12353 B12R0.255 CC/C=C\CCC(=O)CCC(C)C 1458a_100000181311_100015370543 [0,2,0,0,0,0|1,0,1]=4 12354 B12R0.255 CCC/C=C/CC(=O)CCC(C)C 1458a_200016266809_100000210312 [0,2,0,0,0,0|1,0,1]=4 12355 B12R0.255 CCC/C=C/CC(=O)CCC(C)O 1458a_200016266809_100012276601 [0,2,0,0,0,0|1,0,1]=4 12356 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 11a_100000210953_200016266809 [0,2,0,0,0,0|1,0,1]=4 12357 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 1626a_100000210953_200016266809 [0,2,0,0,0,0|1,0,1]=4 12358 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 240690a_100000210953_200016266809 [0,2,0,0,0,0|1,0,1]=4 12359 B12R0.255 CCC/C=C/CC(=O)NCC(C)C 527a_100000210953_200016266809 [0,2,0,0,0,0|1,0,1]=4 12360 B12R0.255 CCC/C=C/CC(=O)NCC(C)O 11a_100000210904_200016266809 [0,2,0,0,0,0|1,0,1]=4 12361 B12R0.255 CCC/C=C/CC(=O)NCC(C)O 240690a_100000210904_200016266809 [0,2,0,0,0,0|1,0,1]=4 12362 B12R0.255 CCC/C=C/CC(=O)NCC(C)O 527a_100000210904_200016266809 [0,2,0,0,0,0|1,0,1]=4 12363 B12R0.255 CCCCC=CC(=O)CCC(C)C 1458a_100016266645_100000210312 [0,2,0,0,0,0|1,0,1]=4 12364 B12R0.255 CCCCC=CC(=O)CCC(C)O 1458a_100016266645_100012276601 [0,2,0,0,0,0|1,0,1]=4 12365 B12R0.255 CCCCC=CC(=O)NCC(C)C 11a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 12366 B12R0.255 CCCCC=CC(=O)NCC(C)C 1626a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 12367 B12R0.255 CCCCC=CC(=O)NCC(C)C 240690a_100000210953_100016266645 [0,2,0,0,0,0|1,0,1]=4 12368 B12R0.255 CCCCC=CC(=O)NCC(C)O 11a_100000210904_100016266645 [0,2,0,0,0,0|1,0,1]=4 12369 B12R0.255 CCCCC=CC(=O)NCC(C)O 240690a_100000210904_100016266645 [0,2,0,0,0,0|1,0,1]=4 12370 B12R0.255 CCCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210757 [0,2,0,0,0,0|1,0,1]=4 12371 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210757 [0,2,0,0,0,0|1,0,0]=3 12372 B12R0.255 CCCCCCC(=O)CCC(C)C 1458a_100102632555_100000210312 [0,2,0,0,0,0|1,0,0]=3 12373 B12R0.255 CCCCCCC(=O)CCC(C)O 1458a_100102632555_100012276601 [0,2,0,0,0,0|1,0,0]=3 12374 B12R0.255 CCCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210757 [0,2,0,0,0,0|2,0,0]=4 12375 B12R0.255 CCCCCCC(=O)COC(C)C 1458a_100000745533_100000210757 [0,2,0,0,0,0|2,0,0]=4 12376 B12R0.255 CCCCCCC(=O)CSC(C)C 1458a_100000241585_100000210757 [0,2,0,0,0,0|2,0,0]=4 12377 B12R0.255 CCCCCCC(=O)NCC(C)C 11a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 12378 B12R0.255 CCCCCCC(=O)NCC(C)C 1626a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 12379 B12R0.255 CCCCCCC(=O)NCC(C)C 240690a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 12380 B12R0.255 CCCCCCC(=O)NCC(C)C 527a_100000210953_100102632555 [0,2,0,0,0,0|1,0,0]=3 12381 B12R0.255 CCCCCCC(=O)NCC(C)O 11a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 12382 B12R0.255 CCCCCCC(=O)NCC(C)O 240690a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 12383 B12R0.255 CCCCCCC(=O)NCC(C)O 527a_100000210904_100102632555 [0,2,0,0,0,0|1,0,0]=3 12384 B12R0.255 CCCCCCC(=O)NCC(F)F 11a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 12385 B12R0.255 CCCCCCC(=O)NCC(F)F 1626a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 12386 B12R0.255 CCCCCCC(=O)NCC(F)F 240690a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 12387 B12R0.255 CCCCCCC(=O)NCC(F)F 527a_100000765723_100102632555 [0,2,0,0,0,0|2,0,0]=4 12388 B12R0.255 CCCCCCC(=O)NNC(C)C 22a_100000741168_100102632555 [0,2,0,0,0,0|2,0,0]=4 12389 B12R0.255 CCCCCCC(C)OCC(C)Br 34a_100012180447_100011215978 [0,2,0,0,0,0|1,0,1]=4 12390 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210257_100011215978 [0,2,0,0,0,0|1,0,1]=4 12391 B12R0.255 CCCCCCC(C)OCC(C)C 34a_100000210265_100000210624 [0,2,0,0,0,0|1,0,1]=4 12392 B12R0.255 CCCCCCC(C)OCC(C)C 7a_100000210265_100000210760 [0,2,0,0,0,0|1,0,1]=4 12393 B12R0.255 CCCCCCC(C)OCC(C)F 34a_100015925927_100011215978 [0,2,0,0,0,0|1,0,1]=4 12394 B12R0.255 CCCCCCC(C)OCC(C)O 34a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 12395 B12R0.255 CCCCCCC(C)OCC(C)O 7a_100000210265_100011218427 [0,2,0,0,0,0|1,0,1]=4 12396 B12R0.255 CCCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215978 [0,2,0,0,0,0|1,0,1]=4 12397 B12R0.255 CCCCCCC(C)OC[C@@H](C)N 34a_100000737577_100011215978 [0,2,0,0,0,0|1,0,1]=4 12398 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 34a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 12399 B12R0.255 CCCCCCC(C)OC[C@@H](C)O 7a_100000210265_100009817552 [0,2,0,0,0,0|1,0,1]=4 12400 B12R0.255 CCCCCNC(=O)C=CC(C)C 11a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 12401 B12R0.255 CCCCCNC(=O)C=CC(C)C 1626a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 12402 B12R0.255 CCCCCNC(=O)C=CC(C)C 240690a_100000209983_100016268746 [0,2,0,0,0,0|1,0,1]=4 12403 B12R0.255 CCCCCNC(=O)CCC(C)C 11a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 12404 B12R0.255 CCCCCNC(=O)CCC(C)C 1626a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 12405 B12R0.255 CCCCCNC(=O)CCC(C)C 240690a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 12406 B12R0.255 CCCCCNC(=O)CCC(C)C 527a_100000209983_100000181311 [0,2,0,0,0,0|1,0,0]=3 12407 B12R0.255 CCCCCNC(=O)CCC(C)O 1626a_100000209983_100000718519 [0,2,0,0,0,0|1,0,0]=3 12408 B12R0.255 CCCCCNC(=O)CCN(C)C 11a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 12409 B12R0.255 CCCCCNC(=O)CCN(C)C 240690a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 12410 B12R0.255 CCCCCNC(=O)CCN(C)C 527a_100000209983_100000689311 [0,2,0,0,0,0|2,0,0]=4 12411 B12R0.255 CCCCCNC(=O)CC[S+](C)C 11a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 12412 B12R0.255 CCCCCNC(=O)CC[S+](C)C 1626a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 12413 B12R0.255 CCCCCNC(=O)CC[S+](C)C 240690a_100000209983_100009452791 [0,2,0,0,0,0|2,0,0]=4 12414 B12R0.255 CCCCCNC(=O)CNC(C)C 2230a_100138425928_100000230301 [0,2,0,0,0,0|2,0,0]=4 12415 B12R0.255 CCCCCNC(=O)CNC(C)C 34a_100138425928_100000230301 [0,2,0,0,0,0|2,0,0]=4 12416 B12R0.255 CCCCCNC(=O)COC(C)C 11a_100000209983_100000745533 [0,2,0,0,0,0|2,0,0]=4 12417 B12R0.255 CCCCCNC(=O)COC(C)C 1626a_100000209983_100000745533 [0,2,0,0,0,0|2,0,0]=4 12418 B12R0.255 CCCCCNC(=O)COC(C)C 240690a_100000209983_100000745533 [0,2,0,0,0,0|2,0,0]=4 12419 B12R0.255 CCCCCNC(=O)COC(C)C 34a_100000212225_100000230301 [0,2,0,0,0,0|2,0,0]=4 12420 B12R0.255 CCCCCNC(=O)COC(C)C 527a_100000209983_100000745533 [0,2,0,0,0,0|2,0,0]=4 12421 B12R0.255 CCCCCNC(=O)CSC(C)C 11a_100000209983_100000241585 [0,2,0,0,0,0|2,0,0]=4 12422 B12R0.255 CCCCCNC(=O)CSC(C)C 1626a_100000209983_100000241585 [0,2,0,0,0,0|2,0,0]=4 12423 B12R0.255 CCCCCNC(=O)CSC(C)C 240690a_100000209983_100000241585 [0,2,0,0,0,0|2,0,0]=4 12424 B12R0.255 CCCCCNC(=O)CSC(C)C 527a_100000209983_100000241585 [0,2,0,0,0,0|2,0,0]=4 12425 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000210206_100000230301 [0,2,0,0,0,0|2,0,0]=4 12426 B12R0.255 CCCCCNC(=O)CSC(C)C 62a_100000230301_100000210206 [0,2,0,0,0,0|2,0,0]=4 12427 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 12428 B12R0.255 CCCCCNC(=O)NCC(C)C 2708a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 12429 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 12430 B12R0.255 CCCCCNC(=O)NCC(C)C 273464a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 12431 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000209983_100000210953 [0,2,0,0,0,0|1,0,0]=3 12432 B12R0.255 CCCCCNC(=O)NCC(C)C 512a_100000210953_100000209983 [0,2,0,0,0,0|1,0,0]=3 12433 B12R0.255 CCCCCNC(=O)NCC(C)O 2708a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 12434 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 12435 B12R0.255 CCCCCNC(=O)NCC(C)O 273464a_100000210904_100000209983 [0,2,0,0,0,0|1,0,0]=3 12436 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000209983_100000210904 [0,2,0,0,0,0|1,0,0]=3 12437 B12R0.255 CCCCCNC(=O)NCC(C)O 512a_100000210904_100000209983 [0,2,0,0,0,0|1,0,0]=3 12438 B12R0.255 CCCCCNC(=O)NCC(F)F 2708a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 12439 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 12440 B12R0.255 CCCCCNC(=O)NCC(F)F 273464a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 12441 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000209983_100000765723 [0,2,0,0,0,0|2,0,0]=4 12442 B12R0.255 CCCCCNC(=O)NCC(F)F 512a_100000765723_100000209983 [0,2,0,0,0,0|2,0,0]=4 12443 B12R0.255 CCCCCNC(=O)NNC(C)C 273464a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 12444 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000209983_100000741168 [0,2,0,0,0,0|2,0,0]=4 12445 B12R0.255 CCCCCNC(=O)NNC(C)C 512a_100000741168_100000209983 [0,2,0,0,0,0|2,0,0]=4 12446 B12R0.255 CCCCNCC(=O)NCC(C)C 2230a_100000102301_100000183291 [0,2,0,0,0,0|1,0,0]=3 12447 B12R0.255 CCCCNCC(=O)NCC(C)C 7a_106832991798_100000183291 [0,2,0,0,0,0|1,0,0]=3 12448 B12R0.255 CCCCNNC(=O)CCC(C)C 22a_100025702795_100000181311 [0,2,0,0,0,0|2,0,0]=4 12449 B12R0.255 CCCCNNC(=O)NCC(C)C 273464a_100000210953_100025702795 [0,2,0,0,0,0|2,0,0]=4 12450 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100000210953_100025702795 [0,2,0,0,0,0|2,0,0]=4 12451 B12R0.255 CCCCNNC(=O)NCC(C)C 512a_100025702795_100000210953 [0,2,0,0,0,0|2,0,0]=4 12452 B12R0.255 CCCCNNC(=O)NCC(C)O 273464a_100000210904_100025702795 [0,2,0,0,0,0|2,0,0]=4 12453 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100000210904_100025702795 [0,2,0,0,0,0|2,0,0]=4 12454 B12R0.255 CCCCNNC(=O)NCC(C)O 512a_100025702795_100000210904 [0,2,0,0,0,0|2,0,0]=4 12455 B12R0.255 CCCCOCC(=O)C=CC(C)C 1458a_100016268746_100011995733 [0,2,0,0,0,0|1,0,1]=4 12456 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000181311_100011995733 [0,2,0,0,0,0|1,0,0]=3 12457 B12R0.255 CCCCOCC(=O)CCC(C)C 1458a_100000757543_100000210312 [0,2,0,0,0,0|1,0,0]=3 12458 B12R0.255 CCCCOCC(=O)CCC(C)O 1458a_100000757543_100012276601 [0,2,0,0,0,0|1,0,0]=3 12459 B12R0.255 CCCCOCC(=O)CC[S+](C)C 1458a_100009452791_100011995733 [0,2,0,0,0,0|2,0,0]=4 12460 B12R0.255 CCCCOCC(=O)COC(C)C 1458a_100000745533_100011995733 [0,2,0,0,0,0|2,0,0]=4 12461 B12R0.255 CCCCOCC(=O)CSC(C)C 1458a_100000241585_100011995733 [0,2,0,0,0,0|2,0,0]=4 12462 B12R0.255 CCCCOCC(=O)NCC(C)C 11a_100000210953_100000757543 [0,2,0,0,0,0|1,0,0]=3 12463 B12R0.255 CCCCOCC(=O)NCC(C)C 1626a_100000210953_100000757543 [0,2,0,0,0,0|1,0,0]=3 12464 B12R0.255 CCCCOCC(=O)NCC(C)C 240690a_100000210953_100000757543 [0,2,0,0,0,0|1,0,0]=3 12465 B12R0.255 CCCCOCC(=O)NCC(C)C 34a_100000210227_100000183291 [0,2,0,0,0,0|1,0,0]=3 12466 B12R0.255 CCCCOCC(=O)NCC(C)C 527a_100000210953_100000757543 [0,2,0,0,0,0|1,0,0]=3 12467 B12R0.255 CCCCOCC(=O)NCC(C)C 7a_100000210227_100000183291 [0,2,0,0,0,0|1,0,0]=3 12468 B12R0.255 CCCCOCC(=O)NCC(C)O 11a_100000210904_100000757543 [0,2,0,0,0,0|1,0,0]=3 12469 B12R0.255 CCCCOCC(=O)NCC(C)O 240690a_100000210904_100000757543 [0,2,0,0,0,0|1,0,0]=3 12470 B12R0.255 CCCCOCC(=O)NCC(C)O 527a_100000210904_100000757543 [0,2,0,0,0,0|1,0,0]=3 12471 B12R0.255 CCCCOCC(=O)NCC(F)F 11a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 12472 B12R0.255 CCCCOCC(=O)NCC(F)F 1626a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 12473 B12R0.255 CCCCOCC(=O)NCC(F)F 240690a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 12474 B12R0.255 CCCCOCC(=O)NCC(F)F 527a_100000765723_100000757543 [0,2,0,0,0,0|2,0,0]=4 12475 B12R0.255 CCCCOCC(=O)NNC(C)C 22a_100000741168_100000757543 [0,2,0,0,0,0|2,0,0]=4 12476 B12R0.255 CCCCOCC(C)OCC(C)C 34a_100011217071_100000210624 [0,2,0,0,0,0|1,0,1]=4 12477 B12R0.255 CCCCOCC(C)OCC(C)C 7a_100011217071_100000210760 [0,2,0,0,0,0|1,0,1]=4 12478 B12R0.255 CCCCOCC(C)OCC(C)O 34a_100011217071_100011218427 [0,2,0,0,0,0|1,0,1]=4 12479 B12R0.255 CCCCOCC(C)OCC(C)O 7a_100011217071_100011218427 [0,2,0,0,0,0|1,0,1]=4 12480 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 34a_100011217071_100009817552 [0,2,0,0,0,0|1,0,1]=4 12481 B12R0.255 CCCCOCC(C)OC[C@@H](C)O 7a_100011217071_100009817552 [0,2,0,0,0,0|1,0,1]=4 12482 B12R0.255 CCCCSCC(=O)CCC(C)C 1458a_100000191162_100000210312 [0,2,0,0,0,0|1,0,0]=3 12483 B12R0.255 CCCCSCC(=O)CCC(C)O 1458a_100000191162_100012276601 [0,2,0,0,0,0|1,0,0]=3 12484 B12R0.255 CCCCSCC(=O)NCC(C)C 11a_100000210953_100000191162 [0,2,0,0,0,0|1,0,0]=3 12485 B12R0.255 CCCCSCC(=O)NCC(C)C 1626a_100000210953_100000191162 [0,2,0,0,0,0|1,0,0]=3 12486 B12R0.255 CCCCSCC(=O)NCC(C)C 240690a_100000210953_100000191162 [0,2,0,0,0,0|1,0,0]=3 12487 B12R0.255 CCCCSCC(=O)NCC(C)C 527a_100000210953_100000191162 [0,2,0,0,0,0|1,0,0]=3 12488 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000183291_100000210210 [0,2,0,0,0,0|1,0,0]=3 12489 B12R0.255 CCCCSCC(=O)NCC(C)C 62a_100000210211_100000183291 [0,2,0,0,0,0|1,0,0]=3 12490 B12R0.255 CCCCSCC(=O)NCC(C)O 11a_100000210904_100000191162 [0,2,0,0,0,0|1,0,0]=3 12491 B12R0.255 CCCCSCC(=O)NCC(C)O 240690a_100000210904_100000191162 [0,2,0,0,0,0|1,0,0]=3 12492 B12R0.255 CCCCSCC(=O)NCC(C)O 527a_100000210904_100000191162 [0,2,0,0,0,0|1,0,0]=3 12493 B12R0.255 CCCCSCC(=O)NCC(F)F 11a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 12494 B12R0.255 CCCCSCC(=O)NCC(F)F 1626a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 12495 B12R0.255 CCCCSCC(=O)NCC(F)F 240690a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 12496 B12R0.255 CCCCSCC(=O)NCC(F)F 527a_100000765723_100000191162 [0,2,0,0,0,0|2,0,0]=4 12497 B12R0.255 CCCCSCC(=O)NNC(C)C 22a_100000741168_100000191162 [0,2,0,0,0,0|2,0,0]=4 12498 B12R0.255 CCCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215938 [0,2,0,0,0,0|1,0,1]=4 12499 B12R0.255 CCCOCCC(=O)CCC(C)C 1458a_100000181311_100011215938 [0,2,0,0,0,0|1,0,0]=3 12500 B12R0.255 CCCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215938 [0,2,0,0,0,0|2,0,0]=4 12501 B12R0.255 CCCOCCC(=O)COC(C)C 1458a_100000745533_100011215938 [0,2,0,0,0,0|2,0,0]=4 12502 B12R0.255 CCCOCCC(=O)CSC(C)C 1458a_100000241585_100011215938 [0,2,0,0,0,0|2,0,0]=4 12503 B12R0.255 CCNCCCC(=O)NCC(C)C 2230a_100015525214_100011194448 [0,2,0,0,0,0|1,0,0]=3 12504 B12R0.255 CCOCCCC(=O)C=CC(C)C 1458a_100016268746_100012232248 [0,2,0,0,0,0|1,0,1]=4 12505 B12R0.255 CCOCCCC(=O)CCC(C)C 1458a_100000181311_100012232248 [0,2,0,0,0,0|1,0,0]=3 12506 B12R0.255 CCOCCCC(=O)CC[S+](C)C 1458a_100009452791_100012232248 [0,2,0,0,0,0|2,0,0]=4 12507 B12R0.255 CCOCCCC(=O)COC(C)C 1458a_100000745533_100012232248 [0,2,0,0,0,0|2,0,0]=4 12508 B12R0.255 CCOCCCC(=O)CSC(C)C 1458a_100000241585_100012232248 [0,2,0,0,0,0|2,0,0]=4 12509 B12R0.255 CCOCCCC(=O)NCC(C)C 34a_100121572206_100011194448 [0,2,0,0,0,0|1,0,0]=3 12510 B12R0.255 CCOCCNC(=O)CCC(C)C 11a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 12511 B12R0.255 CCOCCNC(=O)CCC(C)C 1626a_102516460346_100000181311 [0,2,0,0,0,0|2,0,0]=4 12512 B12R0.255 CCOCCNC(=O)CCC(C)C 240690a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 12513 B12R0.255 CCOCCNC(=O)CCC(C)C 527a_100011200944_100000181311 [0,2,0,0,0,0|2,0,0]=4 12514 B12R0.255 CCOCCNC(=O)CCC(C)O 1626a_102516460346_100000718519 [0,2,0,0,0,0|2,0,0]=4 12515 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100000210953_100011200944 [0,2,0,0,0,0|2,0,0]=4 12516 B12R0.255 CCOCCNC(=O)NCC(C)C 2708a_100011200944_100000210953 [0,2,0,0,0,0|2,0,0]=4 12517 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_100000210953_102516460346 [0,2,0,0,0,0|2,0,0]=4 12518 B12R0.255 CCOCCNC(=O)NCC(C)C 273464a_102516460346_100000210953 [0,2,0,0,0,0|2,0,0]=4 12519 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100000210953_100011200944 [0,2,0,0,0,0|2,0,0]=4 12520 B12R0.255 CCOCCNC(=O)NCC(C)C 512a_100011200944_100000210953 [0,2,0,0,0,0|2,0,0]=4 12521 B12R0.255 CCOCCNC(=O)NCC(C)O 2708a_100011200944_100000210904 [0,2,0,0,0,0|2,0,0]=4 12522 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_100000210904_102516460346 [0,2,0,0,0,0|2,0,0]=4 12523 B12R0.255 CCOCCNC(=O)NCC(C)O 273464a_102516460346_100000210904 [0,2,0,0,0,0|2,0,0]=4 12524 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100000210904_100011200944 [0,2,0,0,0,0|2,0,0]=4 12525 B12R0.255 CCOCCNC(=O)NCC(C)O 512a_100011200944_100000210904 [0,2,0,0,0,0|2,0,0]=4 12526 B12R0.255 CCOCSCC(=O)NCC(C)C 62a_100000183291_100000739092 [0,2,0,0,0,0|2,0,0]=4 12527 B12R0.255 CCOCSCC(=O)NCC(C)C 62a_100000739092_100000183291 [0,2,0,0,0,0|2,0,0]=4 12528 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100000210202_100011194448 [0,2,0,0,0,0|1,0,0]=3 12529 B12R0.255 CCSCCCC(=O)NCC(C)C 62a_100011194448_100000210202 [0,2,0,0,0,0|1,0,0]=3 12530 B12R0.255 CCSCCNC(=O)CCC(C)C 11a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 12531 B12R0.255 CCSCCNC(=O)CCC(C)C 1626a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 12532 B12R0.255 CCSCCNC(=O)CCC(C)C 240690a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 12533 B12R0.255 CCSCCNC(=O)CCC(C)C 527a_100000106463_100000181311 [0,2,0,0,0,0|2,0,0]=4 12534 B12R0.255 CCSCCNC(=O)CCC(C)O 1626a_100000106463_100000718519 [0,2,0,0,0,0|2,0,0]=4 12535 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 12536 B12R0.255 CCSCCNC(=O)NCC(C)C 2708a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 12537 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 12538 B12R0.255 CCSCCNC(=O)NCC(C)C 273464a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 12539 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000106463_100000210953 [0,2,0,0,0,0|2,0,0]=4 12540 B12R0.255 CCSCCNC(=O)NCC(C)C 512a_100000210953_100000106463 [0,2,0,0,0,0|2,0,0]=4 12541 B12R0.255 CCSCCNC(=O)NCC(C)O 2708a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 12542 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 12543 B12R0.255 CCSCCNC(=O)NCC(C)O 273464a_100000210904_100000106463 [0,2,0,0,0,0|2,0,0]=4 12544 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000106463_100000210904 [0,2,0,0,0,0|2,0,0]=4 12545 B12R0.255 CCSCCNC(=O)NCC(C)O 512a_100000210904_100000106463 [0,2,0,0,0,0|2,0,0]=4 12546 B12R0.255 COCCCCC(=O)C=CC(C)C 1458a_100016268746_100000755781 [0,2,0,0,0,0|1,0,1]=4 12547 B12R0.255 COCCCCC(=O)CCC(C)C 1458a_100000181311_100000755781 [0,2,0,0,0,0|1,0,0]=3 12548 B12R0.255 COCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000755781 [0,2,0,0,0,0|2,0,0]=4 12549 B12R0.255 COCCCCC(=O)COC(C)C 1458a_100000745533_100000755781 [0,2,0,0,0,0|2,0,0]=4 12550 B12R0.255 COCCCCC(=O)CSC(C)C 1458a_100000241585_100000755781 [0,2,0,0,0,0|2,0,0]=4 12551 B12R0.255 COCCCNC(=O)CCC(C)C 1626a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 12552 B12R0.255 COCCCNC(=O)CCC(C)C 240690a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 12553 B12R0.255 COCCCNC(=O)CCC(C)C 527a_100150723488_100000181311 [0,2,0,0,0,0|2,0,0]=4 12554 B12R0.255 COCCCNC(=O)CCC(C)O 1626a_100150723488_100000718519 [0,2,0,0,0,0|2,0,0]=4 12555 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 12556 B12R0.255 COCCCNC(=O)NCC(C)C 2708a_100150723488_100000210953 [0,2,0,0,0,0|2,0,0]=4 12557 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 12558 B12R0.255 COCCCNC(=O)NCC(C)C 273464a_100150723488_100000210953 [0,2,0,0,0,0|2,0,0]=4 12559 B12R0.255 COCCCNC(=O)NCC(C)C 512a_100000210953_100150723488 [0,2,0,0,0,0|2,0,0]=4 12560 B12R0.255 COCCCNC(=O)NCC(C)O 2708a_100150723488_100000210904 [0,2,0,0,0,0|2,0,0]=4 12561 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100000210904_100150723488 [0,2,0,0,0,0|2,0,0]=4 12562 B12R0.255 COCCCNC(=O)NCC(C)O 273464a_100150723488_100000210904 [0,2,0,0,0,0|2,0,0]=4 12563 B12R0.255 COCCCNC(=O)NCC(C)O 512a_100000210904_100150723488 [0,2,0,0,0,0|2,0,0]=4 12564 B12R0.255 COCCNCC(=O)NCC(C)C 2230a_100000209980_100000183291 [0,2,0,0,0,0|2,0,0]=4 12565 B12R0.255 COCCOCC(=O)CCC(C)C 1458a_100000211095_100000210312 [0,2,0,0,0,0|2,0,0]=4 12566 B12R0.255 COCCOCC(=O)CCC(C)O 1458a_100000211095_100012276601 [0,2,0,0,0,0|2,0,0]=4 12567 B12R0.255 COCCOCC(=O)NCC(C)C 11a_100000210953_100000211095 [0,2,0,0,0,0|2,0,0]=4 12568 B12R0.255 COCCOCC(=O)NCC(C)C 1626a_100000210953_100000211095 [0,2,0,0,0,0|2,0,0]=4 12569 B12R0.255 COCCOCC(=O)NCC(C)C 240690a_100000210953_100000211095 [0,2,0,0,0,0|2,0,0]=4 12570 B12R0.255 COCCOCC(=O)NCC(C)C 34a_100000210237_100000183291 [0,2,0,0,0,0|2,0,0]=4 12571 B12R0.255 COCCOCC(=O)NCC(C)C 527a_100000210953_100000211095 [0,2,0,0,0,0|2,0,0]=4 12572 B12R0.255 COCCOCC(=O)NCC(C)O 11a_100000210904_100000211095 [0,2,0,0,0,0|2,0,0]=4 12573 B12R0.255 COCCOCC(=O)NCC(C)O 240690a_100000210904_100000211095 [0,2,0,0,0,0|2,0,0]=4 12574 B12R0.255 COCCOCC(=O)NCC(C)O 527a_100000210904_100000211095 [0,2,0,0,0,0|2,0,0]=4 12575 B12R0.255 COCCSCC(=O)NCC(C)C 62a_100000183291_100000233755 [0,2,0,0,0,0|2,0,0]=4 12576 B12R0.255 COCCSCC(=O)NCC(C)C 62a_100000233755_100000183291 [0,2,0,0,0,0|2,0,0]=4 12577 B12R0.255 CSCCCNC(=O)CCC(C)C 11a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 12578 B12R0.255 CSCCCNC(=O)CCC(C)C 1626a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 12579 B12R0.255 CSCCCNC(=O)CCC(C)C 240690a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 12580 B12R0.255 CSCCCNC(=O)CCC(C)C 527a_100000749238_100000181311 [0,2,0,0,0,0|2,0,0]=4 12581 B12R0.255 CSCCCNC(=O)CCC(C)O 1626a_100000749238_100000718519 [0,2,0,0,0,0|2,0,0]=4 12582 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 12583 B12R0.255 CSCCCNC(=O)NCC(C)C 2708a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 12584 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 12585 B12R0.255 CSCCCNC(=O)NCC(C)C 273464a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 12586 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000210953_100000749238 [0,2,0,0,0,0|2,0,0]=4 12587 B12R0.255 CSCCCNC(=O)NCC(C)C 512a_100000749238_100000210953 [0,2,0,0,0,0|2,0,0]=4 12588 B12R0.255 CSCCCNC(=O)NCC(C)O 2708a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 12589 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000210904_100000749238 [0,2,0,0,0,0|2,0,0]=4 12590 B12R0.255 CSCCCNC(=O)NCC(C)O 273464a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 12591 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000210904_100000749238 [0,2,0,0,0,0|2,0,0]=4 12592 B12R0.255 CSCCCNC(=O)NCC(C)O 512a_100000749238_100000210904 [0,2,0,0,0,0|2,0,0]=4 12593 B12R0.255 CSCCNCC(=O)NCC(C)C 2230a_100020590264_100000183291 [0,2,0,0,0,0|2,0,0]=4 12594 B12R0.255 CSCCOCC(=O)NCC(C)C 34a_100000230434_100000183291 [0,2,0,0,0,0|2,0,0]=4 12595 B12R0.255 CSCCOCC(=O)NCC(C)C 7a_100000230434_100000183291 [0,2,0,0,0,0|2,0,0]=4 12596 B12R0.255 CSCCSCC(=O)NCC(C)C 62a_100000183291_100000751147 [0,2,0,0,0,0|2,0,0]=4 12597 B12R0.255 CSCCSCC(=O)NCC(C)C 62a_100000212216_100000183291 [0,2,0,0,0,0|2,0,0]=4 12598 B12R0.255 C[S+](C)CCC(=O)CCCCCF 1458a_100009452791_100000729378 [0,2,0,0,0,0|2,0,0]=4 12599 B12R0.255 C[S+](C)CCC(=O)CCCCCO 1458a_100009452791_100000746330 [0,2,0,0,0,0|2,0,0]=4 12600 B12R0.255 O=C(CCCCCO)NCC(F)F 240690a_100000765723_100102619762 [0,2,0,0,0,0|2,0,0]=4 12601 B12R0.645 CCCCCS(=O)(=O)NCC(C)C 270084a_100000210953_100000753860 [0,2,0,0,0,0|2,0,0]=4 12602 B12R0.645 CCCCCS(=O)(=O)NCC(C)C 274078a_100000210953_100000753860 [0,2,0,0,0,0|2,0,0]=4 12603 B12R0.645 CCCCCS(=O)(=O)NCC(C)O 270084a_100000210904_100000753860 [0,2,0,0,0,0|2,0,0]=4 12604 B12R0.645 CCCCCS(=O)(=O)NCC(C)O 274078a_100000210904_100000753860 [0,2,0,0,0,0|2,0,0]=4 12605 B12R0.649 CC(C)(C)CCC(=O)CCCCF 1458a_100000757465_100000729493 [0,2,0,0,0,0|2,0,0]=4 12606 B12R0.649 CC(C)(C)CCC(=O)CCCCO 1458a_100000695505_100000755188 [0,2,0,0,0,0|2,0,0]=4 12607 B12R0.649 CC(C)(C)CCC(=O)CCCCO 1458a_100000757465_100000210776 [0,2,0,0,0,0|2,0,0]=4 12608 B12R0.649 CC(C)(C)CNC(=O)CCCCO 1626a_100000743828_100000695505 [0,2,0,0,0,0|2,0,0]=4 12609 B12R0.649 CC(C)(C)COC(=O)CNCCF 34a_100000724931_200010402935 [0,2,0,0,0,0|2,0,0]=4 12610 B12R0.649 CC(C)(C)COC(=O)CNCCO 2230a_100016997473_200010402935 [0,2,0,0,0,0|2,0,0]=4 12611 B12R0.649 CC(C)(C)COC(=O)CNCCO 34a_100016990907_200010402935 [0,2,0,0,0,0|2,0,0]=4 12612 B12R0.649 CC(C)(C)COC(=O)COCCBr 34a_100000211926_200010402935 [0,2,0,0,0,0|2,0,0]=4 12613 B12R0.649 CC(C)(C)COC(=O)COCCN 34a_100000210304_200010402935 [0,2,0,0,0,0|2,0,0]=4 12614 B12R0.649 CC(C)(C)COC(=O)CSCCF 62a_100011217306_200010402935 [0,2,0,0,0,0|2,0,0]=4 12615 B12R0.649 CC(C)(C)COC(=O)CSCCF 62a_200010402935_100011217306 [0,2,0,0,0,0|2,0,0]=4 12616 B12R0.649 CC(C)(C)COC(=O)CSCCO 62a_100000211926_200010402935 [0,2,0,0,0,0|2,0,0]=4 12617 B12R0.649 CC(C)(C)COC(=O)CSCCO 62a_200010402935_100000211926 [0,2,0,0,0,0|2,0,0]=4 12618 B12R0.649 CC(C)(F)CNC(=O)CCCCO 1626a_100020643315_100000695505 [0,2,0,0,0,0|2,0,0]=4 12619 B12R0.649 CC(C)(O)CNC(=O)CCCCO 1626a_100000751335_100000695505 [0,2,0,0,0,0|2,0,0]=4 12620 B12R0.649 CC(F)(F)CCC(=O)CCCCF 1458a_100000030992_100000729493 [0,2,0,0,0,0|2,0,0]=4 12621 B12R0.649 CC(F)(F)CCC(=O)CCCCO 1458a_100000030992_100000210776 [0,2,0,0,0,0|2,0,0]=4 12622 B12R0.649 CC(F)(F)CNC(=O)CCCCO 1626a_100000731000_100000695505 [0,2,0,0,0,0|2,0,0]=4 12623 B12R0.649 CCCCCC(=O)C#CC(C)(C)C 1458a_100011966651_100000210326 [0,2,0,0,0,0|1,0,1]=4 12624 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000212188_100000755188 [0,2,0,0,0,0|1,0,0]=3 12625 B12R0.649 CCCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000210326 [0,2,0,0,0,0|1,0,0]=3 12626 B12R0.649 CCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000210326 [0,2,0,0,0,0|1,0,0]=3 12627 B12R0.649 CCCCCC(=O)CCC(F)(F)F 1458a_100000212188_100011219754 [0,2,0,0,0,0|2,0,0]=4 12628 B12R0.649 CCCCCC(=O)CCC(F)(F)F 1458a_100000755318_100000210326 [0,2,0,0,0,0|2,0,0]=4 12629 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000212188_100000731031 [0,2,0,0,0,0|2,0,0]=4 12630 B12R0.649 CCCCCC(=O)CCS(=O)(=O)C 1458a_100000737124_100000210326 [0,2,0,0,0,0|2,0,0]=4 12631 B12R0.649 CCCCCC(=O)CC[N+](C)(C)C 1458a_100000212188_100000085578 [0,2,0,0,0,0|2,0,0]=4 12632 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100000212188_200000733723 [0,2,0,0,0,0|1,1,0]=4 12633 B12R0.649 CCCCCC(=O)CC[Si](C)(C)C 1458a_100011215282_100000210326 [0,2,0,0,0,0|1,1,0]=4 12634 B12R0.649 CCCCCC(=O)CNC(C)(C)C 2230a_100000715429_200012276598 [0,2,0,0,0,0|2,0,0]=4 12635 B12R0.649 CCCCCC(=O)COC(C)(C)C 1458a_100000686494_100000210326 [0,2,0,0,0,0|2,0,0]=4 12636 B12R0.649 CCCCCC(=O)COC(C)(C)C 34a_100015890283_200012276598 [0,2,0,0,0,0|2,0,0]=4 12637 B12R0.649 CCCCCC(=O)COC(C)(C)C 7a_100015890283_200012276598 [0,2,0,0,0,0|2,0,0]=4 12638 B12R0.649 CCCCCC(=O)CSC(C)(C)C 62a_100000211941_200012276598 [0,2,0,0,0,0|2,0,0]=4 12639 B12R0.649 CCCCCC(=O)CSC(C)(C)C 62a_200012276598_100000211941 [0,2,0,0,0,0|2,0,0]=4 12640 B12R0.649 CCCCCC(=O)NCC(C)(C)C 11a_100000743828_100000212188 [0,2,0,0,0,0|1,0,0]=3 12641 B12R0.649 CCCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000212188 [0,2,0,0,0,0|1,0,0]=3 12642 B12R0.649 CCCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000212188 [0,2,0,0,0,0|1,0,0]=3 12643 B12R0.649 CCCCCC(=O)NCC(C)(C)C 527a_100000743828_100000212188 [0,2,0,0,0,0|1,0,0]=3 12644 B12R0.649 CCCCCC(=O)NCC(C)(C)F 11a_100020643315_100000212188 [0,2,0,0,0,0|1,0,0]=3 12645 B12R0.649 CCCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000212188 [0,2,0,0,0,0|1,0,0]=3 12646 B12R0.649 CCCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000212188 [0,2,0,0,0,0|1,0,0]=3 12647 B12R0.649 CCCCCC(=O)NCC(C)(C)F 527a_100020643315_100000212188 [0,2,0,0,0,0|1,0,0]=3 12648 B12R0.649 CCCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000212188 [0,2,0,0,0,0|1,0,0]=3 12649 B12R0.649 CCCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000212188 [0,2,0,0,0,0|1,0,0]=3 12650 B12R0.649 CCCCCC(=O)NCC(C)(C)O 527a_100000751335_100000212188 [0,2,0,0,0,0|1,0,0]=3 12651 B12R0.649 CCCCCC(=O)NCC(C)(F)F 11a_100000731000_100000212188 [0,2,0,0,0,0|1,0,0]=3 12652 B12R0.649 CCCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000212188 [0,2,0,0,0,0|1,0,0]=3 12653 B12R0.649 CCCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000212188 [0,2,0,0,0,0|1,0,0]=3 12654 B12R0.649 CCCCCC(=O)NCC(C)(F)F 527a_100000731000_100000212188 [0,2,0,0,0,0|1,0,0]=3 12655 B12R0.649 CCCCCC(=O)NCC(F)(F)F 11a_100000717047_100000212188 [0,2,0,0,0,0|2,0,0]=4 12656 B12R0.649 CCCCCC(=O)NCC(F)(F)F 1626a_100000717047_100000212188 [0,2,0,0,0,0|2,0,0]=4 12657 B12R0.649 CCCCCC(=O)NCC(F)(F)F 240690a_100000717047_100000212188 [0,2,0,0,0,0|2,0,0]=4 12658 B12R0.649 CCCCCC(=O)NCC(F)(F)F 527a_100000717047_100000212188 [0,2,0,0,0,0|2,0,0]=4 12659 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 11a_102516607284_100000212188 [0,2,0,0,0,0|1,1,0]=4 12660 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 1626a_102516607284_100000212188 [0,2,0,0,0,0|1,1,0]=4 12661 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 240690a_102516607284_100000212188 [0,2,0,0,0,0|1,1,0]=4 12662 B12R0.649 CCCCCC(=O)NC[Si](C)(C)C 527a_102516607284_100000212188 [0,2,0,0,0,0|1,1,0]=4 12663 B12R0.649 CCCCCC(=O)NNC(C)(C)C 22a_100000725372_100000212188 [0,2,0,0,0,0|2,0,0]=4 12664 B12R0.649 CCCCCC(C)OCC(C)(C)C 34a_100011215632_100011219605 [0,2,0,0,0,0|1,0,1]=4 12665 B12R0.649 CCCCCC(C)OCC(C)(C)F 34a_100000716592_200011218191 [0,2,0,0,0,0|1,0,1]=4 12666 B12R0.649 CCCCCC(C)OCC(C)(C)F 34a_100011215632_100011997219 [0,2,0,0,0,0|1,0,1]=4 12667 B12R0.649 CCCCCC(C)OCC(C)(C)O 34a_100011215632_100000764493 [0,2,0,0,0,0|1,0,1]=4 12668 B12R0.649 CCCCCC(C)OCC(C)(C)O 7a_100011215632_100000764493 [0,2,0,0,0,0|1,0,1]=4 12669 B12R0.649 CCCCCC(C)OCC(C)(F)F 34a_100000068830_200011218191 [0,2,0,0,0,0|1,0,1]=4 12670 B12R0.649 CCCCNC(=O)CCC(C)(C)C 11a_100000102301_100000757465 [0,2,0,0,0,0|2,0,0]=4 12671 B12R0.649 CCCCNC(=O)CCC(C)(C)C 1626a_100000102301_100000757465 [0,2,0,0,0,0|2,0,0]=4 12672 B12R0.649 CCCCNC(=O)CCC(C)(C)C 240690a_100000102301_100000757465 [0,2,0,0,0,0|2,0,0]=4 12673 B12R0.649 CCCCNC(=O)CCC(C)(C)C 527a_100000102301_100000757465 [0,2,0,0,0,0|2,0,0]=4 12674 B12R0.649 CCCCNC(=O)CCC(C)(F)F 11a_100000102301_100000030992 [0,2,0,0,0,0|2,0,0]=4 12675 B12R0.649 CCCCNC(=O)CCC(C)(F)F 1626a_100000102301_100000030992 [0,2,0,0,0,0|2,0,0]=4 12676 B12R0.649 CCCCNC(=O)CCC(C)(F)F 240690a_100000102301_100000030992 [0,2,0,0,0,0|2,0,0]=4 12677 B12R0.649 CCCCNC(=O)CCC(C)(F)F 527a_100000102301_100000030992 [0,2,0,0,0,0|2,0,0]=4 12678 B12R0.649 CCCCNC(=O)NCC(C)(C)C 2708a_100000102301_100000743828 [0,2,0,0,0,0|2,0,0]=4 12679 B12R0.649 CCCCNC(=O)NCC(C)(C)C 2708a_100000743828_100000102301 [0,2,0,0,0,0|2,0,0]=4 12680 B12R0.649 CCCCNC(=O)NCC(C)(C)C 273464a_100000102301_100000743828 [0,2,0,0,0,0|2,0,0]=4 12681 B12R0.649 CCCCNC(=O)NCC(C)(C)C 273464a_100000743828_100000102301 [0,2,0,0,0,0|2,0,0]=4 12682 B12R0.649 CCCCNC(=O)NCC(C)(C)C 512a_100000102301_100000743828 [0,2,0,0,0,0|2,0,0]=4 12683 B12R0.649 CCCCNC(=O)NCC(C)(C)C 512a_100000743828_100000102301 [0,2,0,0,0,0|2,0,0]=4 12684 B12R0.649 CCCCNC(=O)NCC(C)(C)F 2708a_100000102301_100020643315 [0,2,0,0,0,0|2,0,0]=4 12685 B12R0.649 CCCCNC(=O)NCC(C)(C)F 2708a_100020643315_100000102301 [0,2,0,0,0,0|2,0,0]=4 12686 B12R0.649 CCCCNC(=O)NCC(C)(C)F 273464a_100000102301_100020643315 [0,2,0,0,0,0|2,0,0]=4 12687 B12R0.649 CCCCNC(=O)NCC(C)(C)F 273464a_100020643315_100000102301 [0,2,0,0,0,0|2,0,0]=4 12688 B12R0.649 CCCCNC(=O)NCC(C)(C)F 512a_100000102301_100020643315 [0,2,0,0,0,0|2,0,0]=4 12689 B12R0.649 CCCCNC(=O)NCC(C)(C)F 512a_100020643315_100000102301 [0,2,0,0,0,0|2,0,0]=4 12690 B12R0.649 CCCCNC(=O)NCC(C)(C)O 2708a_100000102301_100000751335 [0,2,0,0,0,0|2,0,0]=4 12691 B12R0.649 CCCCNC(=O)NCC(C)(C)O 273464a_100000102301_100000751335 [0,2,0,0,0,0|2,0,0]=4 12692 B12R0.649 CCCCNC(=O)NCC(C)(C)O 512a_100000102301_100000751335 [0,2,0,0,0,0|2,0,0]=4 12693 B12R0.649 CCCCNC(=O)NCC(C)(C)O 512a_100000751335_100000102301 [0,2,0,0,0,0|2,0,0]=4 12694 B12R0.649 CCCCNC(=O)NCC(C)(F)F 2708a_100000102301_100000731000 [0,2,0,0,0,0|2,0,0]=4 12695 B12R0.649 CCCCNC(=O)NCC(C)(F)F 273464a_100000102301_100000731000 [0,2,0,0,0,0|2,0,0]=4 12696 B12R0.649 CCCCNC(=O)NCC(C)(F)F 273464a_100000731000_100000102301 [0,2,0,0,0,0|2,0,0]=4 12697 B12R0.649 CCCCNC(=O)NCC(C)(F)F 512a_100000102301_100000731000 [0,2,0,0,0,0|2,0,0]=4 12698 B12R0.649 CCCCNC(=O)NCC(C)(F)F 512a_100000731000_100000102301 [0,2,0,0,0,0|2,0,0]=4 12699 B12R0.649 CCCOCC(=O)CCC(C)(C)C 1458a_100000745993_100000755188 [0,2,0,0,0,0|2,0,0]=4 12700 B12R0.649 CCCOCC(=O)NCC(C)(C)C 11a_100000743828_100000745993 [0,2,0,0,0,0|2,0,0]=4 12701 B12R0.649 CCCOCC(=O)NCC(C)(C)C 1626a_100000743828_100000745993 [0,2,0,0,0,0|2,0,0]=4 12702 B12R0.649 CCCOCC(=O)NCC(C)(C)C 240690a_100000743828_100000745993 [0,2,0,0,0,0|2,0,0]=4 12703 B12R0.649 CCCOCC(=O)NCC(C)(C)C 527a_100000743828_100000745993 [0,2,0,0,0,0|2,0,0]=4 12704 B12R0.649 CCCOCC(=O)NCC(C)(C)F 11a_100020643315_100000745993 [0,2,0,0,0,0|2,0,0]=4 12705 B12R0.649 CCCOCC(=O)NCC(C)(C)F 1626a_100020643315_100000745993 [0,2,0,0,0,0|2,0,0]=4 12706 B12R0.649 CCCOCC(=O)NCC(C)(C)F 240690a_100020643315_100000745993 [0,2,0,0,0,0|2,0,0]=4 12707 B12R0.649 CCCOCC(=O)NCC(C)(C)F 527a_100020643315_100000745993 [0,2,0,0,0,0|2,0,0]=4 12708 B12R0.649 CCCOCC(=O)NCC(C)(C)O 1626a_100000751335_100000745993 [0,2,0,0,0,0|2,0,0]=4 12709 B12R0.649 CCCOCC(=O)NCC(C)(C)O 240690a_100000751335_100000745993 [0,2,0,0,0,0|2,0,0]=4 12710 B12R0.649 CCCOCC(=O)NCC(C)(C)O 527a_100000751335_100000745993 [0,2,0,0,0,0|2,0,0]=4 12711 B12R0.649 CCCOCC(=O)NCC(C)(F)F 11a_100000731000_100000745993 [0,2,0,0,0,0|2,0,0]=4 12712 B12R0.649 CCCOCC(=O)NCC(C)(F)F 1626a_100000731000_100000745993 [0,2,0,0,0,0|2,0,0]=4 12713 B12R0.649 CCCOCC(=O)NCC(C)(F)F 240690a_100000731000_100000745993 [0,2,0,0,0,0|2,0,0]=4 12714 B12R0.649 CCCOCC(=O)NCC(C)(F)F 527a_100000731000_100000745993 [0,2,0,0,0,0|2,0,0]=4 12715 B12R0.649 CCCOCC(=O)OCC(C)(C)C 34a_100000210258_200010402935 [0,2,0,0,0,0|1,0,0]=3 12716 B12R0.649 CCCSCC(=O)CCC(C)(C)C 1458a_100000217233_100000755188 [0,2,0,0,0,0|2,0,0]=4 12717 B12R0.649 CCCSCC(=O)NCC(C)(C)C 11a_100000743828_100000217233 [0,2,0,0,0,0|2,0,0]=4 12718 B12R0.649 CCCSCC(=O)NCC(C)(C)C 1626a_100000743828_100000217233 [0,2,0,0,0,0|2,0,0]=4 12719 B12R0.649 CCCSCC(=O)NCC(C)(C)C 240690a_100000743828_100000217233 [0,2,0,0,0,0|2,0,0]=4 12720 B12R0.649 CCCSCC(=O)NCC(C)(C)C 527a_100000743828_100000217233 [0,2,0,0,0,0|2,0,0]=4 12721 B12R0.649 CCCSCC(=O)NCC(C)(C)F 11a_100020643315_100000217233 [0,2,0,0,0,0|2,0,0]=4 12722 B12R0.649 CCCSCC(=O)NCC(C)(C)F 1626a_100020643315_100000217233 [0,2,0,0,0,0|2,0,0]=4 12723 B12R0.649 CCCSCC(=O)NCC(C)(C)F 240690a_100020643315_100000217233 [0,2,0,0,0,0|2,0,0]=4 12724 B12R0.649 CCCSCC(=O)NCC(C)(C)F 527a_100020643315_100000217233 [0,2,0,0,0,0|2,0,0]=4 12725 B12R0.649 CCCSCC(=O)NCC(C)(C)O 1626a_100000751335_100000217233 [0,2,0,0,0,0|2,0,0]=4 12726 B12R0.649 CCCSCC(=O)NCC(C)(C)O 240690a_100000751335_100000217233 [0,2,0,0,0,0|2,0,0]=4 12727 B12R0.649 CCCSCC(=O)NCC(C)(C)O 527a_100000751335_100000217233 [0,2,0,0,0,0|2,0,0]=4 12728 B12R0.649 CCCSCC(=O)NCC(C)(F)F 11a_100000731000_100000217233 [0,2,0,0,0,0|2,0,0]=4 12729 B12R0.649 CCCSCC(=O)NCC(C)(F)F 1626a_100000731000_100000217233 [0,2,0,0,0,0|2,0,0]=4 12730 B12R0.649 CCCSCC(=O)NCC(C)(F)F 240690a_100000731000_100000217233 [0,2,0,0,0,0|2,0,0]=4 12731 B12R0.649 CCCSCC(=O)NCC(C)(F)F 527a_100000731000_100000217233 [0,2,0,0,0,0|2,0,0]=4 12732 B12R0.649 CCCSCC(=O)OCC(C)(C)C 62a_100000210303_200010402935 [0,2,0,0,0,0|1,0,0]=3 12733 B12R0.649 CCCSCC(=O)OCC(C)(C)C 62a_200010402935_100000210303 [0,2,0,0,0,0|1,0,0]=3 12734 B12R0.649 CCOCCC(=O)CCC(C)(C)C 1458a_100000749530_100000755188 [0,2,0,0,0,0|2,0,0]=4 12735 B12R0.649 CCOCCC(=O)CCC(C)(C)C 1458a_100000757465_100011215890 [0,2,0,0,0,0|2,0,0]=4 12736 B12R0.649 CCOCCC(=O)CCC(C)(F)F 1458a_100000030992_100011215890 [0,2,0,0,0,0|2,0,0]=4 12737 B12R0.649 CCOCCC(=O)NCC(C)(C)C 11a_100000743828_100000749530 [0,2,0,0,0,0|2,0,0]=4 12738 B12R0.649 CCOCCC(=O)NCC(C)(C)C 1626a_100000743828_100000749530 [0,2,0,0,0,0|2,0,0]=4 12739 B12R0.649 CCOCCC(=O)NCC(C)(C)C 240690a_100000743828_100000749530 [0,2,0,0,0,0|2,0,0]=4 12740 B12R0.649 CCOCCC(=O)NCC(C)(C)C 527a_100000743828_100000749530 [0,2,0,0,0,0|2,0,0]=4 12741 B12R0.649 CCOCCC(=O)NCC(C)(C)F 11a_100020643315_100000749530 [0,2,0,0,0,0|2,0,0]=4 12742 B12R0.649 CCOCCC(=O)NCC(C)(C)F 1626a_100020643315_100000749530 [0,2,0,0,0,0|2,0,0]=4 12743 B12R0.649 CCOCCC(=O)NCC(C)(C)F 240690a_100020643315_100000749530 [0,2,0,0,0,0|2,0,0]=4 12744 B12R0.649 CCOCCC(=O)NCC(C)(C)F 527a_100020643315_100000749530 [0,2,0,0,0,0|2,0,0]=4 12745 B12R0.649 CCOCCC(=O)NCC(C)(C)O 1626a_100000751335_100000749530 [0,2,0,0,0,0|2,0,0]=4 12746 B12R0.649 CCOCCC(=O)NCC(C)(C)O 240690a_100000751335_100000749530 [0,2,0,0,0,0|2,0,0]=4 12747 B12R0.649 CCOCCC(=O)NCC(C)(C)O 527a_100000751335_100000749530 [0,2,0,0,0,0|2,0,0]=4 12748 B12R0.649 CCOCCC(=O)NCC(C)(F)F 11a_100000731000_100000749530 [0,2,0,0,0,0|2,0,0]=4 12749 B12R0.649 CCOCCC(=O)NCC(C)(F)F 1626a_100000731000_100000749530 [0,2,0,0,0,0|2,0,0]=4 12750 B12R0.649 CCOCCC(=O)NCC(C)(F)F 240690a_100000731000_100000749530 [0,2,0,0,0,0|2,0,0]=4 12751 B12R0.649 CCOCCC(=O)NCC(C)(F)F 527a_100000731000_100000749530 [0,2,0,0,0,0|2,0,0]=4 12752 B12R0.649 CCSCCC(=O)CCC(C)(C)C 1458a_100000230768_100000755188 [0,2,0,0,0,0|2,0,0]=4 12753 B12R0.649 CCSCCC(=O)CCC(C)(C)C 1458a_100000757465_100000757381 [0,2,0,0,0,0|2,0,0]=4 12754 B12R0.649 CCSCCC(=O)CCC(C)(F)F 1458a_100000030992_100000757381 [0,2,0,0,0,0|2,0,0]=4 12755 B12R0.649 CCSCCC(=O)NCC(C)(C)C 11a_100000743828_100000230768 [0,2,0,0,0,0|2,0,0]=4 12756 B12R0.649 CCSCCC(=O)NCC(C)(C)C 1626a_100000743828_100000230768 [0,2,0,0,0,0|2,0,0]=4 12757 B12R0.649 CCSCCC(=O)NCC(C)(C)C 240690a_100000743828_100000230768 [0,2,0,0,0,0|2,0,0]=4 12758 B12R0.649 CCSCCC(=O)NCC(C)(C)C 527a_100000743828_100000230768 [0,2,0,0,0,0|2,0,0]=4 12759 B12R0.649 CCSCCC(=O)NCC(C)(C)F 11a_100020643315_100000230768 [0,2,0,0,0,0|2,0,0]=4 12760 B12R0.649 CCSCCC(=O)NCC(C)(C)F 1626a_100020643315_100000230768 [0,2,0,0,0,0|2,0,0]=4 12761 B12R0.649 CCSCCC(=O)NCC(C)(C)F 240690a_100020643315_100000230768 [0,2,0,0,0,0|2,0,0]=4 12762 B12R0.649 CCSCCC(=O)NCC(C)(C)F 527a_100020643315_100000230768 [0,2,0,0,0,0|2,0,0]=4 12763 B12R0.649 CCSCCC(=O)NCC(C)(C)O 1626a_100000751335_100000230768 [0,2,0,0,0,0|2,0,0]=4 12764 B12R0.649 CCSCCC(=O)NCC(C)(C)O 240690a_100000751335_100000230768 [0,2,0,0,0,0|2,0,0]=4 12765 B12R0.649 CCSCCC(=O)NCC(C)(C)O 527a_100000751335_100000230768 [0,2,0,0,0,0|2,0,0]=4 12766 B12R0.649 CCSCCC(=O)NCC(C)(F)F 11a_100000731000_100000230768 [0,2,0,0,0,0|2,0,0]=4 12767 B12R0.649 CCSCCC(=O)NCC(C)(F)F 1626a_100000731000_100000230768 [0,2,0,0,0,0|2,0,0]=4 12768 B12R0.649 CCSCCC(=O)NCC(C)(F)F 240690a_100000731000_100000230768 [0,2,0,0,0,0|2,0,0]=4 12769 B12R0.649 CCSCCC(=O)NCC(C)(F)F 527a_100000731000_100000230768 [0,2,0,0,0,0|2,0,0]=4 12770 B12R0.649 COCCCC(=O)CCC(C)(C)C 1458a_100000741012_100000755188 [0,2,0,0,0,0|2,0,0]=4 12771 B12R0.649 COCCCC(=O)CCC(C)(C)C 1458a_100000757465_100000740836 [0,2,0,0,0,0|2,0,0]=4 12772 B12R0.649 COCCCC(=O)CCC(C)(F)F 1458a_100000030992_100000740836 [0,2,0,0,0,0|2,0,0]=4 12773 B12R0.649 COCCCC(=O)NCC(C)(C)C 11a_100000743828_100000741012 [0,2,0,0,0,0|2,0,0]=4 12774 B12R0.649 COCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000741012 [0,2,0,0,0,0|2,0,0]=4 12775 B12R0.649 COCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000741012 [0,2,0,0,0,0|2,0,0]=4 12776 B12R0.649 COCCCC(=O)NCC(C)(C)C 527a_100000743828_100000741012 [0,2,0,0,0,0|2,0,0]=4 12777 B12R0.649 COCCCC(=O)NCC(C)(C)F 11a_100020643315_100000741012 [0,2,0,0,0,0|2,0,0]=4 12778 B12R0.649 COCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000741012 [0,2,0,0,0,0|2,0,0]=4 12779 B12R0.649 COCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000741012 [0,2,0,0,0,0|2,0,0]=4 12780 B12R0.649 COCCCC(=O)NCC(C)(C)F 527a_100020643315_100000741012 [0,2,0,0,0,0|2,0,0]=4 12781 B12R0.649 COCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000741012 [0,2,0,0,0,0|2,0,0]=4 12782 B12R0.649 COCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000741012 [0,2,0,0,0,0|2,0,0]=4 12783 B12R0.649 COCCCC(=O)NCC(C)(C)O 527a_100000751335_100000741012 [0,2,0,0,0,0|2,0,0]=4 12784 B12R0.649 COCCCC(=O)NCC(C)(F)F 11a_100000731000_100000741012 [0,2,0,0,0,0|2,0,0]=4 12785 B12R0.649 COCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000741012 [0,2,0,0,0,0|2,0,0]=4 12786 B12R0.649 COCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000741012 [0,2,0,0,0,0|2,0,0]=4 12787 B12R0.649 COCCCC(=O)NCC(C)(F)F 527a_100000731000_100000741012 [0,2,0,0,0,0|2,0,0]=4 12788 B12R0.649 COCSCC(=O)OCC(C)(C)C 62a_100000766300_200010402935 [0,2,0,0,0,0|2,0,0]=4 12789 B12R0.649 COCSCC(=O)OCC(C)(C)C 62a_200010402935_100000766300 [0,2,0,0,0,0|2,0,0]=4 12790 B12R0.649 CSCCCC(=O)CCC(C)(C)C 1458a_100000173376_100000755188 [0,2,0,0,0,0|2,0,0]=4 12791 B12R0.649 CSCCCC(=O)NCC(C)(C)C 11a_100000743828_100000173376 [0,2,0,0,0,0|2,0,0]=4 12792 B12R0.649 CSCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000173376 [0,2,0,0,0,0|2,0,0]=4 12793 B12R0.649 CSCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000173376 [0,2,0,0,0,0|2,0,0]=4 12794 B12R0.649 CSCCCC(=O)NCC(C)(C)C 527a_100000743828_100000173376 [0,2,0,0,0,0|2,0,0]=4 12795 B12R0.649 CSCCCC(=O)NCC(C)(C)F 11a_100020643315_100000173376 [0,2,0,0,0,0|2,0,0]=4 12796 B12R0.649 CSCCCC(=O)NCC(C)(C)F 1626a_100020643315_100000173376 [0,2,0,0,0,0|2,0,0]=4 12797 B12R0.649 CSCCCC(=O)NCC(C)(C)F 240690a_100020643315_100000173376 [0,2,0,0,0,0|2,0,0]=4 12798 B12R0.649 CSCCCC(=O)NCC(C)(C)F 527a_100020643315_100000173376 [0,2,0,0,0,0|2,0,0]=4 12799 B12R0.649 CSCCCC(=O)NCC(C)(C)O 1626a_100000751335_100000173376 [0,2,0,0,0,0|2,0,0]=4 12800 B12R0.649 CSCCCC(=O)NCC(C)(C)O 240690a_100000751335_100000173376 [0,2,0,0,0,0|2,0,0]=4 12801 B12R0.649 CSCCCC(=O)NCC(C)(C)O 527a_100000751335_100000173376 [0,2,0,0,0,0|2,0,0]=4 12802 B12R0.649 CSCCCC(=O)NCC(C)(F)F 11a_100000731000_100000173376 [0,2,0,0,0,0|2,0,0]=4 12803 B12R0.649 CSCCCC(=O)NCC(C)(F)F 1626a_100000731000_100000173376 [0,2,0,0,0,0|2,0,0]=4 12804 B12R0.649 CSCCCC(=O)NCC(C)(F)F 240690a_100000731000_100000173376 [0,2,0,0,0,0|2,0,0]=4 12805 B12R0.649 CSCCCC(=O)NCC(C)(F)F 527a_100000731000_100000173376 [0,2,0,0,0,0|2,0,0]=4 12806 B12R0.649 CSCSCC(=O)OCC(C)(C)C 62a_100011218213_200010402935 [0,2,0,0,0,0|2,0,0]=4 12807 B12R0.649 CSCSCC(=O)OCC(C)(C)C 62a_200010402935_100011218213 [0,2,0,0,0,0|2,0,0]=4 12808 B12R0.6 CCCCC(=O)CCS(=O)(=O)CC 1458a_100000210183_100000756660 [0,2,0,0,0,0|2,0,0]=4 12809 B12R0.6 CCCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183358 [0,2,0,0,0,0|2,0,0]=4 12810 B12R0.6 CCCNC(=O)COC(C)(C)CC 7a_100000210230_100000183358 [0,2,0,0,0,0|2,0,0]=4 12811 B12R0.6 CCCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183358 [0,2,0,0,0,0|2,0,0]=4 12812 B12R0.6 CCCNC(=O)CSC(C)(C)CC 62a_100000183358_100000032637 [0,2,0,0,0,0|2,0,0]=4 12813 B12R0.6 CCCOC(=O)CNC(C)(C)CC 2230a_100000211385_200011215008 [0,2,0,0,0,0|1,0,0]=3 12814 B12R0.6 CCCOC(=O)CNC(C)(C)CO 2230a_100000210608_200011215008 [0,2,0,0,0,0|2,0,0]=4 12815 B12R0.6 CCCOC(=O)COC(C)(C)CC 7a_100000210230_200011215008 [0,2,0,0,0,0|1,0,0]=3 12816 B12R0.6 CCCOC(=O)COC(C)(C)CCl 7a_100000764493_200011215008 [0,2,0,0,0,0|2,0,0]=4 12817 B12R0.6 CCCOC(=O)CSC(C)(C)CC 62a_100000032637_200011215008 [0,2,0,0,0,0|1,0,0]=3 12818 B12R0.6 CCCOC(=O)CSC(C)(C)CC 62a_200011215008_100000032637 [0,2,0,0,0,0|1,0,0]=3 12819 B12R0.6 CCCOC(=O)CSC(F)(F)CO 62a_100011217949_200011215008 [0,2,0,0,0,0|2,0,0]=4 12820 B12R0.6 CCCOC(=O)CSC(F)(F)CO 62a_200011215008_100011217949 [0,2,0,0,0,0|2,0,0]=4 12821 B12R0.48 CCCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210211 [0,2,0,0,0,0|2,0,0]=4 12822 B12R0.48 CCCCC(=O)NCC(O)C(C)C 11a_100000759067_100000210183 [0,2,0,0,0,0|2,0,0]=4 12823 B12R0.48 CCCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000210183 [0,2,0,0,0,0|2,0,0]=4 12824 B12R0.48 CCCCC(=O)NCC(O)C(C)C 527a_100000759067_100000210183 [0,2,0,0,0,0|2,0,0]=4 12825 B12R0.48 CCCNC(=O)CCC(=O)C(C)C 1458a_100000199543_100000210206 [0,2,0,0,0,0|1,0,1]=4 12826 B12R0.48 CCCNC(=O)CCN(C)C(C)C 1626a_100020643023_100015184040 [0,2,0,0,0,0|2,0,0]=4 12827 B12R0.48 CCCNC(=O)CCN(C)C(C)C 240690a_100020643023_100015184040 [0,2,0,0,0,0|2,0,0]=4 12828 B12R0.48 CCCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183358 [0,2,0,0,0,0|2,0,0]=4 12829 B12R0.48 CCCNC(=O)COC(C)C(C)C 7a_100000748068_100000183358 [0,2,0,0,0,0|2,0,0]=4 12830 B12R0.48 CCCNC(=O)NCC(O)C(C)C 2708a_100020643023_100000759067 [0,2,0,0,0,0|2,0,0]=4 12831 B12R0.48 CCCNC(=O)NCC(O)C(C)C 273464a_100000759067_100020643023 [0,2,0,0,0,0|2,0,0]=4 12832 B12R0.48 CCCNC(=O)NCC(O)C(C)C 273464a_100020643023_100000759067 [0,2,0,0,0,0|2,0,0]=4 12833 B12R0.48 CCCNC(=O)NCC(O)C(C)C 512a_100000759067_100020643023 [0,2,0,0,0,0|2,0,0]=4 12834 B12R0.48 CCCNC(=O)NCC(O)C(C)C 512a_100020643023_100000759067 [0,2,0,0,0,0|2,0,0]=4 12835 B12R0.48 CCCOC(=O)CNC(C)C(C)C 2230a_100000211541_200011215008 [0,2,0,0,0,0|1,0,0]=3 12836 B12R0.48 CCCOC(=O)COC(C)C(=O)C 34a_100000212229_200011215008 [0,2,0,0,0,0|1,0,1]=4 12837 B12R0.48 CCCOC(=O)COC(C)C(C)C 7a_100000748068_200011215008 [0,2,0,0,0,0|1,0,0]=3 12838 B12R0.48 CCCOC(=O)CSC(C)C(=O)C 62a_100009814033_200011215008 [0,2,0,0,0,0|1,0,1]=4 12839 B12R0.48 CCCOC(=O)CSC(C)C(=O)C 62a_200011215008_100009814033 [0,2,0,0,0,0|1,0,1]=4 12840 B12R0.48 CCCOC(=O)OCC(=O)C(C)C 1458a_100000210198_200000139673 [0,2,0,0,0,0|1,0,1]=4 12841 B12R0.48 CCCOC(=O)OCC(=O)C(C)F 1458a_100000062450_200000139673 [0,2,0,0,0,0|1,0,1]=4 12842 B12R0.48 CCCOC(=O)OCC(=O)[C@@H](C)O 1458a_100000717761_200000139673 [0,2,0,0,0,0|1,0,1]=4 12843 B12R0.48 CCCOC(=O)OCC(=O)[C@H](C)O 1458a_217856618621_200000139673 [0,2,0,0,0,0|1,0,1]=4 12844 B12R0.48 CCCOC(=O)OCN(C)C(C)C 269982a_200000211004_200000139673 [0,2,0,0,0,0|2,0,0]=4 12845 B12R0.101 C#CCC(C)OCC(=O)OCCC 34a_100000685586_200011215008 [0,2,0,0,0,0|0,0,2]=4 12846 B12R0.101 C#CCC(C)OCC(=O)OCCC 7a_100000685586_200011215008 [0,2,0,0,0,0|0,0,2]=4 12847 B12R0.101 C/C=C/C(C)OCC(=O)OCCC 34a_200102604097_200011215008 [0,2,0,0,0,0|0,0,2]=4 12848 B12R0.101 C=C(COC(C)CCC)OCOC 34a_100000764384_100000042856 [0,2,0,0,0,0|2,0,0]=4 12849 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000042856_100000766640 [0,2,0,0,0,0|2,0,0]=4 12850 B12R0.101 C=C(CSC(C)CCC)OCOC 62a_100000766640_100000042856 [0,2,0,0,0,0|2,0,0]=4 12851 B12R0.101 C=CCOC(=O)CNC(C)CCC 2230a_100000741246_100000033060 [0,2,0,0,0,0|0,0,2]=4 12852 B12R0.101 C=CCOC(=O)COC(C)CCC 34a_100000764384_100000033060 [0,2,0,0,0,0|0,0,2]=4 12853 B12R0.101 C=CCOC(=O)COC(C)CCC 7a_100000764384_100000033060 [0,2,0,0,0,0|0,0,2]=4 12854 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000033060_100000766640 [0,2,0,0,0,0|0,0,2]=4 12855 B12R0.101 C=CCOC(=O)CSC(C)CCC 62a_100000766640_100000033060 [0,2,0,0,0,0|0,0,2]=4 12856 B12R0.101 C=CC[C@@H](C)OCC(=O)OCCC 34a_100000731007_200011215008 [0,2,0,0,0,0|0,0,2]=4 12857 B12R0.101 C=CC[C@@H](C)OCC(=O)OCCC 7a_100000731007_200011215008 [0,2,0,0,0,0|0,0,2]=4 12858 B12R0.101 CC#CC(C)OCC(=O)OCCC 34a_100011216543_200011215008 [0,2,0,0,0,0|0,0,2]=4 12859 B12R0.101 CCCC(C)NCC(=O)NCCF 2230a_100000725713_100000766640 [0,2,0,0,0,0|2,0,0]=4 12860 B12R0.101 CCCC(C)NCC(=O)NCCF 270004a_100000725713_100000211909 [0,2,0,0,0,0|2,0,0]=4 12861 B12R0.101 CCCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210211 [0,2,0,0,0,0|1,0,1]=4 12862 B12R0.101 CCCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210211 [0,2,0,0,0,0|1,0,1]=4 12863 B12R0.101 CCCCC(=O)COC(=O)CCC 1458a_100000210183_100000034017 [0,2,0,0,0,0|1,0,1]=4 12864 B12R0.101 CCCCC(=O)NCC(O)COC 240690a_100000756049_100000210183 [0,2,0,0,0,0|2,0,0]=4 12865 B12R0.101 CCCCC(=O)NCC(O)COC 527a_100000756049_100000210183 [0,2,0,0,0,0|2,0,0]=4 12866 B12R0.101 CCCNC(=O)CCC(=O)CCC 1458a_100000199543_100000210303 [0,2,0,0,0,0|1,0,0]=3 12867 B12R0.101 CCCNC(=O)CCC(=O)CCF 1458a_100000199543_100011217306 [0,2,0,0,0,0|1,0,1]=4 12868 B12R0.101 CCCNC(=O)CCC(=O)CCO 1458a_100000199543_100000211926 [0,2,0,0,0,0|1,0,1]=4 12869 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 12870 B12R0.101 CCCNC(=O)CCC(=O)NCC 11a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 12871 B12R0.101 CCCNC(=O)CCC(=O)NCC 1626a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 12872 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 12873 B12R0.101 CCCNC(=O)CCC(=O)NCC 240690a_100020643023_100000199579 [0,2,0,0,0,0|1,0,1]=4 12874 B12R0.101 CCCNC(=O)CCC(=O)NCC 527a_100015525214_100000199543 [0,2,0,0,0,0|1,0,1]=4 12875 B12R0.101 CCCNC(=O)CCC(=O)OCC 11a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 12876 B12R0.101 CCCNC(=O)CCC(=O)OCC 1626a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 12877 B12R0.101 CCCNC(=O)CCC(=O)OCC 240690a_100020643023_100000183558 [0,2,0,0,0,0|1,0,1]=4 12878 B12R0.101 CCCNC(=O)CNC(=O)CCC 11a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 12879 B12R0.101 CCCNC(=O)CNC(=O)CCC 1626a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 12880 B12R0.101 CCCNC(=O)CNC(=O)CCC 240690a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 12881 B12R0.101 CCCNC(=O)CNC(=O)CCC 527a_100000174927_100000211992 [0,2,0,0,0,0|1,0,1]=4 12882 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000174927_100000766640 [0,2,0,0,0,0|1,0,0]=3 12883 B12R0.101 CCCNC(=O)CNC(C)CCC 2230a_100000741246_100000183358 [0,2,0,0,0,0|1,0,0]=3 12884 B12R0.101 CCCNC(=O)CNC(C)CCC 270004a_100000174927_100000211909 [0,2,0,0,0,0|1,0,0]=3 12885 B12R0.101 CCCNC(=O)CNC(C)CCO 2230a_100000174927_100009893172 [0,2,0,0,0,0|2,0,0]=4 12886 B12R0.101 CCCNC(=O)CNC(C)COC 2230a_100000174927_100000765312 [0,2,0,0,0,0|2,0,0]=4 12887 B12R0.101 CCCNC(=O)CNC(C)COC 270004a_100000174927_100000749346 [0,2,0,0,0,0|2,0,0]=4 12888 B12R0.101 CCCNC(=O)CNC(C)CSC 270004a_100000174927_100011216314 [0,2,0,0,0,0|2,0,0]=4 12889 B12R0.101 CCCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183358 [0,2,0,0,0,0|2,0,0]=4 12890 B12R0.101 CCCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183358 [0,2,0,0,0,0|2,0,0]=4 12891 B12R0.101 CCCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183358 [0,2,0,0,0,0|2,0,0]=4 12892 B12R0.101 CCCNC(=O)COC(C)CCBr 34a_100012276601_100000183358 [0,2,0,0,0,0|2,0,0]=4 12893 B12R0.101 CCCNC(=O)COC(C)CCC 34a_100000764384_100000183358 [0,2,0,0,0,0|1,0,0]=3 12894 B12R0.101 CCCNC(=O)COC(C)CCC 7a_100000764384_100000183358 [0,2,0,0,0,0|1,0,0]=3 12895 B12R0.101 CCCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183358 [0,2,0,0,0,0|2,0,0]=4 12896 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000183358_100000766640 [0,2,0,0,0,0|1,0,0]=3 12897 B12R0.101 CCCNC(=O)CSC(C)CCC 62a_100000766640_100000183358 [0,2,0,0,0,0|1,0,0]=3 12898 B12R0.101 CCCNC(=O)CSC(C)CCO 62a_100000183358_100009893172 [0,2,0,0,0,0|2,0,0]=4 12899 B12R0.101 CCCNC(=O)CSC(C)CCO 62a_100009893172_100000183358 [0,2,0,0,0,0|2,0,0]=4 12900 B12R0.101 CCCNC(=O)CSC(C)COC 62a_100000183358_100000765312 [0,2,0,0,0,0|2,0,0]=4 12901 B12R0.101 CCCNC(=O)CSC(C)COC 62a_100000765312_100000183358 [0,2,0,0,0,0|2,0,0]=4 12902 B12R0.101 CCCNC(=O)NCC(O)COC 2708a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 12903 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100000756049_100020643023 [0,2,0,0,0,0|2,0,0]=4 12904 B12R0.101 CCCNC(=O)NCC(O)COC 273464a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 12905 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100000756049_100020643023 [0,2,0,0,0,0|2,0,0]=4 12906 B12R0.101 CCCNC(=O)NCC(O)COC 512a_100020643023_100000756049 [0,2,0,0,0,0|2,0,0]=4 12907 B12R0.101 CCCOC(=O)CNC(C)CCC 2230a_100000741246_200011215008 [0,2,0,0,0,0|0,0,0]=2 12908 B12R0.101 CCCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_200011215008 [0,2,0,0,0,0|1,0,1]=4 12909 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 2230a_100000706166_200011215008 [0,2,0,0,0,0|1,0,0]=3 12910 B12R0.101 CCCOC(=O)CN[C@H](C)CCO 34a_100000706166_200011215008 [0,2,0,0,0,0|1,0,0]=3 12911 B12R0.101 CCCOC(=O)CN[C@H](C)COC 2230a_100000764878_200011215008 [0,2,0,0,0,0|1,0,0]=3 12912 B12R0.101 CCCOC(=O)COC(C)CCBr 34a_100012276601_200011215008 [0,2,0,0,0,0|1,0,0]=3 12913 B12R0.101 CCCOC(=O)COC(C)CCC 34a_100000764384_200011215008 [0,2,0,0,0,0|0,0,0]=2 12914 B12R0.101 CCCOC(=O)COC(C)CCC 7a_100000764384_200011215008 [0,2,0,0,0,0|0,0,0]=2 12915 B12R0.101 CCCOC(=O)CO[C@H](C)COC 34a_100011934205_200011215008 [0,2,0,0,0,0|1,0,0]=3 12916 B12R0.101 CCCOC(=O)CSC(C)CC#N 62a_100009813641_200011215008 [0,2,0,0,0,0|1,0,1]=4 12917 B12R0.101 CCCOC(=O)CSC(C)CC#N 62a_200011215008_100009813641 [0,2,0,0,0,0|1,0,1]=4 12918 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_100000766640_200011215008 [0,2,0,0,0,0|0,0,0]=2 12919 B12R0.101 CCCOC(=O)CSC(C)CCC 62a_200011215008_100000766640 [0,2,0,0,0,0|0,0,0]=2 12920 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_100009893172_200011215008 [0,2,0,0,0,0|1,0,0]=3 12921 B12R0.101 CCCOC(=O)CSC(C)CCO 62a_200011215008_100009893172 [0,2,0,0,0,0|1,0,0]=3 12922 B12R0.101 CCCOC(=O)CSC(C)COC 62a_100000765312_200011215008 [0,2,0,0,0,0|1,0,0]=3 12923 B12R0.101 CCCOC(=O)CSC(C)COC 62a_200011215008_100000765312 [0,2,0,0,0,0|1,0,0]=3 12924 B12R0.101 CCCOC(=O)OCC(=O)CCC 1458a_100000211992_200000139673 [0,2,0,0,0,0|0,0,1]=3 12925 B12R0.101 CCCOC(=O)OCC(=O)CCO 1458a_100011216618_200000139673 [0,2,0,0,0,0|1,0,1]=4 12926 B12R0.101 CCCOC(=O)OCC(=O)COC 1458a_100000210968_200000139673 [0,2,0,0,0,0|1,0,1]=4 12927 B12R0.101 CCCOC(=O)OCC(=O)CSC 1458a_100000184570_200000139673 [0,2,0,0,0,0|1,0,1]=4 12928 B12R0.101 CCCOC(=O)OCN(C)CCC 269982a_100000747261_200000139673 [0,2,0,0,0,0|1,0,0]=3 12929 B12R0.101 CCCOC(=O)OCN(C)CCO 269982a_100000210263_200000139673 [0,2,0,0,0,0|2,0,0]=4 12930 B12R0.101 CCCOC(C)CNC(C)CCC 2230a_100015185124_100000766640 [0,2,0,0,0,0|1,0,1]=4 12931 B12R0.101 CCCOC(C)CNC(C)CCC 270004a_100015185124_100000211909 [0,2,0,0,0,0|1,0,1]=4 12932 B12R0.101 CCCOC(C)CNC(C)CCC 34a_100015185124_100000766640 [0,2,0,0,0,0|1,0,1]=4 12933 B12R0.133 C#CC(CC)OCC(=O)NCCC 34a_100000758843_100000183358 [0,2,0,0,0,0|2,0,0]=4 12934 B12R0.133 C#CC(CC)OCC(=O)NCCC 7a_100000758843_100000183358 [0,2,0,0,0,0|2,0,0]=4 12935 B12R0.133 C#CC(CC)OCC(=O)OCCC 34a_100000758843_200011215008 [0,2,0,0,0,0|1,0,0]=3 12936 B12R0.133 C#CC(CC)OCC(=O)OCCC 7a_100000758843_200011215008 [0,2,0,0,0,0|1,0,0]=3 12937 B12R0.133 C=CC(CC)OCC(=O)NCCC 34a_100000766422_100000183358 [0,2,0,0,0,0|2,0,0]=4 12938 B12R0.133 C=CC(CC)OCC(=O)NCCC 7a_100000766422_100000183358 [0,2,0,0,0,0|2,0,0]=4 12939 B12R0.133 C=CC(CC)OCC(=O)OCCC 34a_100000766422_200011215008 [0,2,0,0,0,0|1,0,0]=3 12940 B12R0.133 C=CC(CC)OCC(=O)OCCC 7a_100000766422_200011215008 [0,2,0,0,0,0|1,0,0]=3 12941 B12R0.133 C=C[C@@H](CO)NCC(=O)OCCC 2230a_100016989147_200011215008 [0,2,0,0,0,0|2,0,0]=4 12942 B12R0.133 C=C[C@@H](CO)NCC(=O)OCCC 34a_100016989147_200011215008 [0,2,0,0,0,0|2,0,0]=4 12943 B12R0.133 CCCCC(=O)CCC(OC)OC 1458a_100000210183_100000139399 [0,2,0,0,0,0|2,0,0]=4 12944 B12R0.133 CCCCC(=O)CCC(OC)OC 1458a_200000082759_100000210211 [0,2,0,0,0,0|2,0,0]=4 12945 B12R0.133 CCCCC(=O)CCN(CC)CC 1458a_100000210183_100000700428 [0,2,0,0,0,0|2,0,0]=4 12946 B12R0.133 CCCCC(=O)CCN(CC)CC 1458a_100000750416_100000210211 [0,2,0,0,0,0|2,0,0]=4 12947 B12R0.133 CCCCC(=O)COC(CC)CC 1458a_100012002705_100000210211 [0,2,0,0,0,0|2,0,0]=4 12948 B12R0.133 CCCCC(=O)NCC(CC)CC 11a_100102946423_100000210183 [0,2,0,0,0,0|2,0,0]=4 12949 B12R0.133 CCCCC(=O)NCC(CC)CC 1626a_100102946423_100000210183 [0,2,0,0,0,0|2,0,0]=4 12950 B12R0.133 CCCCC(=O)NCC(CC)CC 240690a_100102946423_100000210183 [0,2,0,0,0,0|2,0,0]=4 12951 B12R0.133 CCCCC(=O)NCC(CC)CC 527a_100102946423_100000210183 [0,2,0,0,0,0|2,0,0]=4 12952 B12R0.133 CCCCC(=O)NCC(CC)OC 11a_100000731041_100000210183 [0,2,0,0,0,0|2,0,0]=4 12953 B12R0.133 CCCCC(=O)NCC(CC)OC 1626a_100000731041_100000210183 [0,2,0,0,0,0|2,0,0]=4 12954 B12R0.133 CCCCC(=O)NCC(CC)OC 240690a_100000731041_100000210183 [0,2,0,0,0,0|2,0,0]=4 12955 B12R0.133 CCCCC(=O)NCC(CC)OC 527a_100000731041_100000210183 [0,2,0,0,0,0|2,0,0]=4 12956 B12R0.133 CCCNC(=O)CCC(OC)OC 11a_100020643023_200000082759 [0,2,0,0,0,0|2,0,0]=4 12957 B12R0.133 CCCNC(=O)CCC(OC)OC 1626a_100020643023_200000082759 [0,2,0,0,0,0|2,0,0]=4 12958 B12R0.133 CCCNC(=O)CCC(OC)OC 240690a_100020643023_200000082759 [0,2,0,0,0,0|2,0,0]=4 12959 B12R0.133 CCCNC(=O)CCC(OC)OC 527a_100020643023_200000082759 [0,2,0,0,0,0|2,0,0]=4 12960 B12R0.133 CCCNC(=O)CCN(CC)CC 11a_100020643023_100000750416 [0,2,0,0,0,0|2,0,0]=4 12961 B12R0.133 CCCNC(=O)CCN(CC)CC 240690a_100020643023_100000750416 [0,2,0,0,0,0|2,0,0]=4 12962 B12R0.133 CCCNC(=O)CNC(CC)CC 2230a_100000199018_100000183358 [0,2,0,0,0,0|2,0,0]=4 12963 B12R0.133 CCCNC(=O)CNC(CC)CC 270004a_100000174927_100000210860 [0,2,0,0,0,0|2,0,0]=4 12964 B12R0.133 CCCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183358 [0,2,0,0,0,0|2,0,0]=4 12965 B12R0.133 CCCNC(=O)COC(CC)CC 11a_100020643023_100012002705 [0,2,0,0,0,0|2,0,0]=4 12966 B12R0.133 CCCNC(=O)COC(CC)CC 1626a_100020643023_100012002705 [0,2,0,0,0,0|2,0,0]=4 12967 B12R0.133 CCCNC(=O)COC(CC)CC 240690a_100020643023_100012002705 [0,2,0,0,0,0|2,0,0]=4 12968 B12R0.133 CCCNC(=O)COC(CC)CC 527a_100020643023_100012002705 [0,2,0,0,0,0|2,0,0]=4 12969 B12R0.133 CCCNC(=O)COC(CC)CC 7a_100000688536_100000183358 [0,2,0,0,0,0|2,0,0]=4 12970 B12R0.133 CCCNC(=O)CSC(CC)CC 62a_100000183358_100000210505 [0,2,0,0,0,0|2,0,0]=4 12971 B12R0.133 CCCNC(=O)CSC(CC)CC 62a_100000210505_100000183358 [0,2,0,0,0,0|2,0,0]=4 12972 B12R0.133 CCCNC(=O)NCC(CC)CC 2708a_100020643023_100102946423 [0,2,0,0,0,0|2,0,0]=4 12973 B12R0.133 CCCNC(=O)NCC(CC)CC 2708a_100102946423_100020643023 [0,2,0,0,0,0|2,0,0]=4 12974 B12R0.133 CCCNC(=O)NCC(CC)CC 273464a_100020643023_100102946423 [0,2,0,0,0,0|2,0,0]=4 12975 B12R0.133 CCCNC(=O)NCC(CC)CC 273464a_100102946423_100020643023 [0,2,0,0,0,0|2,0,0]=4 12976 B12R0.133 CCCNC(=O)NCC(CC)CC 512a_100020643023_100102946423 [0,2,0,0,0,0|2,0,0]=4 12977 B12R0.133 CCCNC(=O)NCC(CC)CC 512a_100102946423_100020643023 [0,2,0,0,0,0|2,0,0]=4 12978 B12R0.133 CCCNC(=O)NCC(CC)OC 2708a_100000731041_100020643023 [0,2,0,0,0,0|2,0,0]=4 12979 B12R0.133 CCCNC(=O)NCC(CC)OC 2708a_100020643023_100000731041 [0,2,0,0,0,0|2,0,0]=4 12980 B12R0.133 CCCNC(=O)NCC(CC)OC 273464a_100000731041_100020643023 [0,2,0,0,0,0|2,0,0]=4 12981 B12R0.133 CCCNC(=O)NCC(CC)OC 273464a_100020643023_100000731041 [0,2,0,0,0,0|2,0,0]=4 12982 B12R0.133 CCCNC(=O)NCC(CC)OC 512a_100000731041_100020643023 [0,2,0,0,0,0|2,0,0]=4 12983 B12R0.133 CCCNC(=O)NCC(CC)OC 512a_100020643023_100000731041 [0,2,0,0,0,0|2,0,0]=4 12984 B12R0.133 CCCOC(=O)CNC(CC)CC 2230a_100000199018_200011215008 [0,2,0,0,0,0|1,0,0]=3 12985 B12R0.133 CCCOC(=O)CNC(CO)CO 2230a_100000759517_200011215008 [0,2,0,0,0,0|2,0,0]=4 12986 B12R0.133 CCCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_200011215008 [0,2,0,0,0,0|1,0,0]=3 12987 B12R0.133 CCCOC(=O)COC(CC)CC 7a_100000688536_200011215008 [0,2,0,0,0,0|1,0,0]=3 12988 B12R0.133 CCCOC(=O)COC(CCl)CCl 7a_100000737055_200011215008 [0,2,0,0,0,0|2,0,0]=4 12989 B12R0.133 CCCOC(=O)COC(CF)CF 34a_100000032261_200011215008 [0,2,0,0,0,0|2,0,0]=4 12990 B12R0.133 CCCOC(=O)COC(CF)CF 7a_100000032261_200011215008 [0,2,0,0,0,0|2,0,0]=4 12991 B12R0.133 CCCOC(=O)COC(CN)CN 34a_100000031598_200011215008 [0,2,0,0,0,0|2,0,0]=4 12992 B12R0.133 CCCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_200011215008 [0,2,0,0,0,0|2,0,0]=4 12993 B12R0.133 CCCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_200011215008 [0,2,0,0,0,0|2,0,0]=4 12994 B12R0.133 CCCOC(=O)CSC(CC)CC 62a_100000210505_200011215008 [0,2,0,0,0,0|1,0,0]=3 12995 B12R0.133 CCCOC(=O)CSC(CC)CC 62a_200011215008_100000210505 [0,2,0,0,0,0|1,0,0]=3 12996 B12R0.133 CCCOC(=O)OCN(CC)CC 269956a_100000042499_200000139673 [0,2,0,0,0,0|2,0,0]=4 12997 B12R0.133 CCCOC(=O)OCN(CC)CC 269982a_100000724800_200000139673 [0,2,0,0,0,0|2,0,0]=4 12998 B12R0.147 CCC(=O)CC(=O)CCC(C)CC 1458a_100000701222_100000747405 [0,2,0,0,0,0|1,0,1]=4 12999 B12R0.147 CCC(C)CC(=O)CCN(C)CC 1458a_100000755305_100000748023 [0,2,0,0,0,0|2,0,0]=4 13000 B12R0.147 CCC(C)CC(=O)CCS(=O)CC 1458a_100011387550_100000748023 [0,2,0,0,0,0|2,0,0]=4 13001 B12R0.147 CCC(C)CC(=O)NCC(O)CC 11a_100011218483_100000708755 [0,2,0,0,0,0|2,0,0]=4 13002 B12R0.147 CCC(C)CC(=O)NCC(O)CC 240690a_100011218483_100000708755 [0,2,0,0,0,0|2,0,0]=4 13003 B12R0.147 CCC(C)CC(=O)NCC(O)CC 527a_100011218483_100000708755 [0,2,0,0,0,0|2,0,0]=4 13004 B12R0.147 CCC(C)CCC(=O)CC(C)CC 1458a_100000701222_100000748023 [0,2,0,0,0,0|1,0,0]=3 13005 B12R0.147 CCC(C)CCC(=O)CC(O)CC 1458a_100000701222_100011218378 [0,2,0,0,0,0|1,0,0]=3 13006 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CC 1458a_100000701222_100009816398 [0,2,0,0,0,0|1,0,0]=3 13007 B12R0.147 CCC(C)CCC(=O)C[C@@H](C)CO 1458a_100000701222_100000059175 [0,2,0,0,0,0|2,0,0]=4 13008 B12R0.147 CCC(C)CCC(=O)NC(C)CC 11a_100000209981_100000701222 [0,2,0,0,0,0|1,0,0]=3 13009 B12R0.147 CCC(C)CCC(=O)NC(C)CC 1626a_100000209981_100000701222 [0,2,0,0,0,0|1,0,0]=3 13010 B12R0.147 CCC(C)CCC(=O)NC(C)CC 240690a_100000209981_100000701222 [0,2,0,0,0,0|1,0,0]=3 13011 B12R0.147 CCC(C)CCC(=O)NC(C)CC 527a_100000209981_100000701222 [0,2,0,0,0,0|1,0,0]=3 13012 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 11a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 13013 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 1626a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 13014 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 240690a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 13015 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CF 527a_100102880703_100000701222 [0,2,0,0,0,0|2,0,0]=4 13016 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CO 240690a_100000737577_100000701222 [0,2,0,0,0,0|2,0,0]=4 13017 B12R0.147 CCC(C)CCC(=O)N[C@H](C)CO 527a_100000737577_100000701222 [0,2,0,0,0,0|2,0,0]=4 13018 B12R0.147 CCC(C)CCC(C)OC(C)CC 7a_200011216552_100000758301 [0,2,0,0,0,0|1,0,1]=4 13019 B12R0.147 CCC(C)CNC(=O)CC(C)CC 11a_100020588543_100000708755 [0,2,0,0,0,0|2,0,0]=4 13020 B12R0.147 CCC(C)CNC(=O)CC(C)CC 1626a_100020588543_100000708755 [0,2,0,0,0,0|2,0,0]=4 13021 B12R0.147 CCC(C)CNC(=O)CC(C)CC 240690a_100020588543_100000708755 [0,2,0,0,0,0|2,0,0]=4 13022 B12R0.147 CCC(C)CNC(=O)CC(C)CC 527a_100020588543_100000708755 [0,2,0,0,0,0|2,0,0]=4 13023 B12R0.147 CCC(C)CNC(=O)CC(O)CC 1626a_100020588543_100011667805 [0,2,0,0,0,0|2,0,0]=4 13024 B12R0.147 CCC(C)CNC(=O)CC(O)CC 240690a_100020588543_100011667805 [0,2,0,0,0,0|2,0,0]=4 13025 B12R0.147 CCC(C)CNC(=O)NC(C)CC 2708a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 13026 B12R0.147 CCC(C)CNC(=O)NC(C)CC 2708a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 13027 B12R0.147 CCC(C)CNC(=O)NC(C)CC 273464a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 13028 B12R0.147 CCC(C)CNC(=O)NC(C)CC 273464a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 13029 B12R0.147 CCC(C)CNC(=O)NC(C)CC 512a_100000209981_100020588543 [0,2,0,0,0,0|2,0,0]=4 13030 B12R0.147 CCC(C)CNC(=O)NC(C)CC 512a_100020588543_100000209981 [0,2,0,0,0,0|2,0,0]=4 13031 B12R0.147 CCC(C)NC(=O)CCN(C)CC 240690a_100000209981_100000755305 [0,2,0,0,0,0|2,0,0]=4 13032 B12R0.147 CCC(C)NC(=O)CCS(=O)CC 11a_100000209981_100011387550 [0,2,0,0,0,0|2,0,0]=4 13033 B12R0.147 CCC(C)NC(=O)CCS(=O)CC 1626a_100000209981_100011387550 [0,2,0,0,0,0|2,0,0]=4 13034 B12R0.147 CCC(C)NC(=O)CCS(=O)CC 240690a_100000209981_100011387550 [0,2,0,0,0,0|2,0,0]=4 13035 B12R0.147 CCC(C)NC(=O)CCS(=O)CC 527a_100000209981_100011387550 [0,2,0,0,0,0|2,0,0]=4 13036 B12R0.147 CCC(C)NC(=O)COC(C)CC 7a_100000210228_100000182745 [0,2,0,0,0,0|2,0,0]=4 13037 B12R0.147 CCC(C)NC(=O)CSC(C)CC 62a_100000182745_100000758301 [0,2,0,0,0,0|2,0,0]=4 13038 B12R0.147 CCC(C)NC(=O)CSC(C)CC 62a_100000758301_100000182745 [0,2,0,0,0,0|2,0,0]=4 13039 B12R0.147 CCC(C)NCC(=O)NC(C)CC 2230a_100000209981_100000182745 [0,2,0,0,0,0|2,0,0]=4 13040 B12R0.147 CCC(O)CC(=O)CCN(C)CC 1458a_100000755305_100011218378 [0,2,0,0,0,0|2,0,0]=4 13041 B12R0.147 CCC(O)CC(=O)CCS(=O)CC 1458a_100011387550_100011218378 [0,2,0,0,0,0|2,0,0]=4 13042 B12R0.147 CCC(O)CCC(=O)NC(C)CC 1626a_100000209981_203496584001 [0,2,0,0,0,0|1,0,0]=3 13043 B12R0.147 CCC(O)CCC(=O)NC(C)CC 240690a_100000209981_203496584001 [0,2,0,0,0,0|1,0,0]=3 13044 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CF 1626a_100102880703_203496584001 [0,2,0,0,0,0|2,0,0]=4 13045 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CF 240690a_100102880703_203496584001 [0,2,0,0,0,0|2,0,0]=4 13046 B12R0.147 CCC(O)CCC(=O)N[C@H](C)CO 240690a_100000737577_203496584001 [0,2,0,0,0,0|2,0,0]=4 13047 B12R0.147 CCC(O)CNC(=O)CC(O)CC 240690a_100011218483_100011667805 [0,2,0,0,0,0|2,0,0]=4 13048 B12R0.147 CCC(O)CNC(=O)NC(C)CC 2708a_100000209981_100011218483 [0,2,0,0,0,0|2,0,0]=4 13049 B12R0.147 CCC(O)CNC(=O)NC(C)CC 273464a_100000209981_100011218483 [0,2,0,0,0,0|2,0,0]=4 13050 B12R0.147 CCC(O)CNC(=O)NC(C)CC 273464a_100011218483_100000209981 [0,2,0,0,0,0|2,0,0]=4 13051 B12R0.147 CCC(O)CNC(=O)NC(C)CC 512a_100011218483_100000209981 [0,2,0,0,0,0|2,0,0]=4 13052 B12R0.147 CC[C@H](C)CC(=O)CCN(C)CC 1458a_100000755305_100009816398 [0,2,0,0,0,0|2,0,0]=4 13053 B12R0.147 CC[C@H](C)CC(=O)CCS(=O)CC 1458a_100011387550_100009816398 [0,2,0,0,0,0|2,0,0]=4 13054 B12R0.193 CCC(C)CCC(=O)C(C)CCO 1458a_100000701222_100009893172 [0,2,0,0,0,0|2,0,0]=4 13055 B12R0.193 CCC(C)CCC(=O)C(C)COC 1458a_100000701222_100000765312 [0,2,0,0,0,0|2,0,0]=4 13056 B12R0.193 CCC(C)CCC(=O)N(C)CCO 240690a_100000210263_100000701222 [0,2,0,0,0,0|2,0,0]=4 13057 B12R0.193 CCC(C)CCC(=O)N(C)CCO 527a_100000210263_100000701222 [0,2,0,0,0,0|2,0,0]=4 13058 B12R0.193 CCC(O)CCC(=O)N(C)CCO 240690a_100000210263_203496584001 [0,2,0,0,0,0|2,0,0]=4 13059 B12R0.193 CCCC(C)C(=O)CCC(C)CC 1458a_100000701222_100000766640 [0,2,0,0,0,0|1,0,0]=3 13060 B12R0.193 CCCC(C)C(=O)CCN(C)CC 1458a_100000755305_100000766640 [0,2,0,0,0,0|2,0,0]=4 13061 B12R0.193 CCCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000766640 [0,2,0,0,0,0|2,0,0]=4 13062 B12R0.193 CCCC(C)C(=O)NCC(C)CC 11a_100020588543_100000210906 [0,2,0,0,0,0|2,0,0]=4 13063 B12R0.193 CCCC(C)C(=O)NCC(C)CC 1626a_100020588543_100000210906 [0,2,0,0,0,0|2,0,0]=4 13064 B12R0.193 CCCC(C)C(=O)NCC(C)CC 240690a_100020588543_100000210906 [0,2,0,0,0,0|2,0,0]=4 13065 B12R0.193 CCCC(C)C(=O)NCC(C)CC 527a_100020588543_100000210906 [0,2,0,0,0,0|2,0,0]=4 13066 B12R0.193 CCCC(C)C(=O)NCC(O)CC 11a_100011218483_100000210906 [0,2,0,0,0,0|2,0,0]=4 13067 B12R0.193 CCCC(C)C(=O)NCC(O)CC 240690a_100011218483_100000210906 [0,2,0,0,0,0|2,0,0]=4 13068 B12R0.193 CCCC(C)C(=O)NCC(O)CC 527a_100011218483_100000210906 [0,2,0,0,0,0|2,0,0]=4 13069 B12R0.193 CCCN(C)C(=O)CCC(C)CC 11a_100000747261_100000701222 [0,2,0,0,0,0|1,0,0]=3 13070 B12R0.193 CCCN(C)C(=O)CCC(C)CC 1626a_100000747261_100000701222 [0,2,0,0,0,0|1,0,0]=3 13071 B12R0.193 CCCN(C)C(=O)CCC(C)CC 240690a_100000747261_100000701222 [0,2,0,0,0,0|1,0,0]=3 13072 B12R0.193 CCCN(C)C(=O)CCC(C)CC 527a_100000747261_100000701222 [0,2,0,0,0,0|1,0,0]=3 13073 B12R0.193 CCCN(C)C(=O)CCC(O)CC 1626a_100000747261_203496584001 [0,2,0,0,0,0|1,0,0]=3 13074 B12R0.193 CCCN(C)C(=O)CCC(O)CC 240690a_100000747261_203496584001 [0,2,0,0,0,0|1,0,0]=3 13075 B12R0.193 CCCN(C)C(=O)CCN(C)CC 240690a_100000747261_100000755305 [0,2,0,0,0,0|2,0,0]=4 13076 B12R0.193 CCCN(C)C(=O)CCS(=O)CC 11a_100000747261_100011387550 [0,2,0,0,0,0|2,0,0]=4 13077 B12R0.193 CCCN(C)C(=O)CCS(=O)CC 1626a_100000747261_100011387550 [0,2,0,0,0,0|2,0,0]=4 13078 B12R0.193 CCCN(C)C(=O)CCS(=O)CC 240690a_100000747261_100011387550 [0,2,0,0,0,0|2,0,0]=4 13079 B12R0.193 CCCN(C)C(=O)CCS(=O)CC 527a_100000747261_100011387550 [0,2,0,0,0,0|2,0,0]=4 13080 B12R0.193 CCCN(C)C(=O)NCC(C)CC 2708a_100020588543_100000747261 [0,2,0,0,0,0|2,0,0]=4 13081 B12R0.193 CCCN(C)C(=O)NCC(C)CC 273464a_100020588543_100000747261 [0,2,0,0,0,0|2,0,0]=4 13082 B12R0.193 CCCN(C)C(=O)NCC(O)CC 273464a_100011218483_100000747261 [0,2,0,0,0,0|2,0,0]=4 13083 B12R0.193 CCC[C@H](O)C(=O)NCC(C)CC 240690a_100020588543_100009822183 [0,2,0,0,0,0|2,0,0]=4 13084 B12R0.193 CCC[C@H](O)C(=O)NCC(O)CC 240690a_100011218483_100009822183 [0,2,0,0,0,0|2,0,0]=4 13085 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100000690238_100000210757 [0,2,0,0,0,0|1,0,1]=4 13086 B12R0.47 C#CCCCC(=O)CCCCCC 1458a_100102632555_100000731252 [0,2,0,0,0,0|1,0,1]=4 13087 B12R0.47 C#CCCCC(=O)CCCCCF 1458a_100000690238_100000729378 [0,2,0,0,0,0|1,0,1]=4 13088 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100000690238_100000746330 [0,2,0,0,0,0|1,0,1]=4 13089 B12R0.47 C#CCCCC(=O)CCCCCO 1458a_100102619762_100000731252 [0,2,0,0,0,0|1,0,1]=4 13090 B12R0.47 C#CCCCC(=O)CCCCOC 1458a_100000690238_100000755781 [0,2,0,0,0,0|1,0,1]=4 13091 B12R0.47 C#CCCCC(=O)CCCOCC 1458a_100000690238_100012232248 [0,2,0,0,0,0|1,0,1]=4 13092 B12R0.47 C#CCCCC(=O)CCOCCC 1458a_100000690238_100011215938 [0,2,0,0,0,0|0,0,2]=4 13093 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000690238_100011995733 [0,2,0,0,0,0|0,0,2]=4 13094 B12R0.47 C#CCCCC(=O)COCCCC 1458a_100000757543_100000731252 [0,2,0,0,0,0|0,0,2]=4 13095 B12R0.47 C#CCCCC(=O)COCCOC 1458a_100000211095_100000731252 [0,2,0,0,0,0|0,0,2]=4 13096 B12R0.47 C#CCCCC(=O)CSCCCC 1458a_100000191162_100000731252 [0,2,0,0,0,0|1,0,1]=4 13097 B12R0.47 C#CCCCC(=O)NCCCCC 11a_100000209983_100000690238 [0,2,0,0,0,0|1,0,1]=4 13098 B12R0.47 C#CCCCC(=O)NCCCCC 1626a_100000209983_100000690238 [0,2,0,0,0,0|1,0,1]=4 13099 B12R0.47 C#CCCCC(=O)NCCCCC 240690a_100000209983_100000690238 [0,2,0,0,0,0|1,0,1]=4 13100 B12R0.47 C#CCCCC(=O)NCCCCC 527a_100000209983_100000690238 [0,2,0,0,0,0|1,0,1]=4 13101 B12R0.47 C#CCCCCC(=O)C#CCCC 1458a_200011218047_100010269958 [0,2,0,0,0,0|1,0,1]=4 13102 B12R0.47 C#CCCCCC(=O)C=CCCC 1458a_100000212230_100010269958 [0,2,0,0,0,0|1,0,1]=4 13103 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000212188_100010269958 [0,2,0,0,0,0|1,0,0]=3 13104 B12R0.47 C#CCCCCC(=O)CCCCC 1458a_100000696528_100000210326 [0,2,0,0,0,0|1,0,0]=3 13105 B12R0.47 C#CCCCCC(=O)CCCCF 1458a_100000696528_100000729493 [0,2,0,0,0,0|1,0,1]=4 13106 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000695505_100010269958 [0,2,0,0,0,0|1,0,1]=4 13107 B12R0.47 C#CCCCCC(=O)CCCCO 1458a_100000696528_100000210776 [0,2,0,0,0,0|1,0,1]=4 13108 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000696528_100000740836 [0,2,0,0,0,0|1,0,1]=4 13109 B12R0.47 C#CCCCCC(=O)CCCOC 1458a_100000741012_100010269958 [0,2,0,0,0,0|1,0,1]=4 13110 B12R0.47 C#CCCCCC(=O)CCCSC 1458a_100000173376_100010269958 [0,2,0,0,0,0|1,0,1]=4 13111 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000696528_100011215890 [0,2,0,0,0,0|1,0,1]=4 13112 B12R0.47 C#CCCCCC(=O)CCOCC 1458a_100000749530_100010269958 [0,2,0,0,0,0|1,0,1]=4 13113 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000230768_100010269958 [0,2,0,0,0,0|1,0,1]=4 13114 B12R0.47 C#CCCCCC(=O)CCSCC 1458a_100000696528_100000757381 [0,2,0,0,0,0|1,0,1]=4 13115 B12R0.47 C#CCCCCC(=O)COCCC 1458a_100000745993_100010269958 [0,2,0,0,0,0|0,0,1]=3 13116 B12R0.47 C#CCCCCC(=O)COCCO 1458a_100000708028_100010269958 [0,2,0,0,0,0|1,0,1]=4 13117 B12R0.47 C#CCCCCC(=O)CSCCC 1458a_100000217233_100010269958 [0,2,0,0,0,0|0,1,1]=4 13118 B12R0.47 C#CCCCCC(=O)NCCCC 11a_100000102301_100000696528 [0,2,0,0,0,0|1,0,1]=4 13119 B12R0.47 C#CCCCCC(=O)NCCCC 1626a_100000102301_100000696528 [0,2,0,0,0,0|1,0,1]=4 13120 B12R0.47 C#CCCCCC(=O)NCCCC 240690a_100000102301_100000696528 [0,2,0,0,0,0|1,0,1]=4 13121 B12R0.47 C#CCCCCC(=O)NCCCC 527a_100000102301_100000696528 [0,2,0,0,0,0|1,0,1]=4 13122 B12R0.47 C#CCCCCC(=O)NCCCF 11a_100015189416_100000696528 [0,2,0,0,0,0|1,0,1]=4 13123 B12R0.47 C#CCCCCC(=O)NCCCF 1626a_100015189416_100000696528 [0,2,0,0,0,0|1,0,1]=4 13124 B12R0.47 C#CCCCCC(=O)NCCCF 240690a_100015189416_100000696528 [0,2,0,0,0,0|1,0,1]=4 13125 B12R0.47 C#CCCCCC(=O)NCCCF 527a_100015189416_100000696528 [0,2,0,0,0,0|1,0,1]=4 13126 B12R0.47 C#CCCCCC(=O)NCCCO 240690a_100000182051_100000696528 [0,2,0,0,0,0|1,0,1]=4 13127 B12R0.47 C#CCCCCC(=O)NCCCO 527a_100000182051_100000696528 [0,2,0,0,0,0|1,0,1]=4 13128 B12R0.47 C#CCCCCC(=O)NCCOC 1626a_100000209980_100000696528 [0,2,0,0,0,0|1,0,1]=4 13129 B12R0.47 C#CCCCCC(=O)NCCOC 240690a_100000209980_100000696528 [0,2,0,0,0,0|1,0,1]=4 13130 B12R0.47 C#CCCCCC(=O)NCCOC 527a_100000209980_100000696528 [0,2,0,0,0,0|1,0,1]=4 13131 B12R0.47 C#CCCCCC(=O)NCCSC 11a_100020590264_100000696528 [0,2,0,0,0,0|1,0,1]=4 13132 B12R0.47 C#CCCCCC(=O)NCCSC 1626a_100020590264_100000696528 [0,2,0,0,0,0|1,0,1]=4 13133 B12R0.47 C#CCCCCC(=O)NCCSC 240690a_100020590264_100000696528 [0,2,0,0,0,0|1,0,1]=4 13134 B12R0.47 C#CCCCCC(=O)NCCSC 527a_100020590264_100000696528 [0,2,0,0,0,0|1,0,1]=4 13135 B12R0.47 C#CCCCCC(=O)NNCCC 22a_100000740057_100000696528 [0,2,0,0,0,0|1,0,1]=4 13136 B12R0.47 C#CCCCNC(=O)CCCCC 11a_100000718082_100000212188 [0,2,0,0,0,0|1,0,0]=3 13137 B12R0.47 C#CCCCNC(=O)CCCCC 1626a_100000718082_100000212188 [0,2,0,0,0,0|1,0,0]=3 13138 B12R0.47 C#CCCCNC(=O)CCCCC 240690a_100000718082_100000212188 [0,2,0,0,0,0|1,0,0]=3 13139 B12R0.47 C#CCCCNC(=O)CCCCC 527a_100000718082_100000212188 [0,2,0,0,0,0|1,0,0]=3 13140 B12R0.47 C#CCCCNC(=O)CCCCO 1626a_100000718082_100000695505 [0,2,0,0,0,0|2,0,0]=4 13141 B12R0.47 C#CCCCNC(=O)CCCOC 11a_100000718082_100000741012 [0,2,0,0,0,0|2,0,0]=4 13142 B12R0.47 C#CCCCNC(=O)CCCOC 1626a_100000718082_100000741012 [0,2,0,0,0,0|2,0,0]=4 13143 B12R0.47 C#CCCCNC(=O)CCCOC 240690a_100000718082_100000741012 [0,2,0,0,0,0|2,0,0]=4 13144 B12R0.47 C#CCCCNC(=O)CCCOC 527a_100000718082_100000741012 [0,2,0,0,0,0|2,0,0]=4 13145 B12R0.47 C#CCCCNC(=O)CCCSC 11a_100000718082_100000173376 [0,2,0,0,0,0|2,0,0]=4 13146 B12R0.47 C#CCCCNC(=O)CCCSC 1626a_100000718082_100000173376 [0,2,0,0,0,0|2,0,0]=4 13147 B12R0.47 C#CCCCNC(=O)CCCSC 240690a_100000718082_100000173376 [0,2,0,0,0,0|2,0,0]=4 13148 B12R0.47 C#CCCCNC(=O)CCCSC 527a_100000718082_100000173376 [0,2,0,0,0,0|2,0,0]=4 13149 B12R0.47 C#CCCCNC(=O)CCOCC 11a_100000718082_100000749530 [0,2,0,0,0,0|2,0,0]=4 13150 B12R0.47 C#CCCCNC(=O)CCOCC 1626a_100000718082_100000749530 [0,2,0,0,0,0|2,0,0]=4 13151 B12R0.47 C#CCCCNC(=O)CCOCC 240690a_100000718082_100000749530 [0,2,0,0,0,0|2,0,0]=4 13152 B12R0.47 C#CCCCNC(=O)CCOCC 527a_100000718082_100000749530 [0,2,0,0,0,0|2,0,0]=4 13153 B12R0.47 C#CCCCNC(=O)CCSCC 11a_100000718082_100000230768 [0,2,0,0,0,0|2,0,0]=4 13154 B12R0.47 C#CCCCNC(=O)CCSCC 1626a_100000718082_100000230768 [0,2,0,0,0,0|2,0,0]=4 13155 B12R0.47 C#CCCCNC(=O)CCSCC 240690a_100000718082_100000230768 [0,2,0,0,0,0|2,0,0]=4 13156 B12R0.47 C#CCCCNC(=O)CCSCC 527a_100000718082_100000230768 [0,2,0,0,0,0|2,0,0]=4 13157 B12R0.47 C#CCCCNC(=O)COCCC 11a_100000718082_100000745993 [0,2,0,0,0,0|0,0,2]=4 13158 B12R0.47 C#CCCCNC(=O)COCCC 1626a_100000718082_100000745993 [0,2,0,0,0,0|0,0,2]=4 13159 B12R0.47 C#CCCCNC(=O)COCCC 240690a_100000718082_100000745993 [0,2,0,0,0,0|0,0,2]=4 13160 B12R0.47 C#CCCCNC(=O)COCCC 527a_100000718082_100000745993 [0,2,0,0,0,0|0,0,2]=4 13161 B12R0.47 C#CCCCNC(=O)CSCCC 11a_100000718082_100000217233 [0,2,0,0,0,0|2,0,0]=4 13162 B12R0.47 C#CCCCNC(=O)CSCCC 1626a_100000718082_100000217233 [0,2,0,0,0,0|2,0,0]=4 13163 B12R0.47 C#CCCCNC(=O)CSCCC 240690a_100000718082_100000217233 [0,2,0,0,0,0|2,0,0]=4 13164 B12R0.47 C#CCCCNC(=O)CSCCC 527a_100000718082_100000217233 [0,2,0,0,0,0|2,0,0]=4 13165 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000102301_100000718082 [0,2,0,0,0,0|2,0,0]=4 13166 B12R0.47 C#CCCCNC(=O)NCCCC 2708a_100000718082_100000102301 [0,2,0,0,0,0|2,0,0]=4 13167 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000102301_100000718082 [0,2,0,0,0,0|2,0,0]=4 13168 B12R0.47 C#CCCCNC(=O)NCCCC 273464a_100000718082_100000102301 [0,2,0,0,0,0|2,0,0]=4 13169 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000102301_100000718082 [0,2,0,0,0,0|2,0,0]=4 13170 B12R0.47 C#CCCCNC(=O)NCCCC 512a_100000718082_100000102301 [0,2,0,0,0,0|2,0,0]=4 13171 B12R0.47 C#CCCCOC(C)CCCCC 34a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 13172 B12R0.47 C#CCCCOC(C)CCCCC 34a_100011215632_100000695029 [0,2,0,0,0,0|1,0,1]=4 13173 B12R0.47 C#CCCCOC(C)CCCCC 7a_100000215630_200011218191 [0,2,0,0,0,0|1,0,1]=4 13174 B12R0.47 C#CCCCOC(C)CCCCC 7a_100011215632_100011215417 [0,2,0,0,0,0|1,0,1]=4 13175 B12R0.47 C#CCCNC(=O)CCCCCC 11a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13176 B12R0.47 C#CCCNC(=O)CCCCCC 1626a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13177 B12R0.47 C#CCCNC(=O)CCCCCC 240690a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13178 B12R0.47 C#CCCNC(=O)CCCCCC 527a_100000755551_100102632555 [0,2,0,0,0,0|1,0,1]=4 13179 B12R0.47 C#CCCNC(=O)CCCCCO 240690a_100000755551_100102619762 [0,2,0,0,0,0|1,0,1]=4 13180 B12R0.47 C#CCCNC(=O)COCCCC 11a_100000755551_100000757543 [0,2,0,0,0,0|1,0,1]=4 13181 B12R0.47 C#CCCNC(=O)COCCCC 1626a_100000755551_100000757543 [0,2,0,0,0,0|1,0,1]=4 13182 B12R0.47 C#CCCNC(=O)COCCCC 240690a_100000755551_100000757543 [0,2,0,0,0,0|1,0,1]=4 13183 B12R0.47 C#CCCNC(=O)COCCCC 527a_100000755551_100000757543 [0,2,0,0,0,0|1,0,1]=4 13184 B12R0.47 C#CCCNC(=O)CSCCCC 11a_100000755551_100000191162 [0,2,0,0,0,0|1,0,1]=4 13185 B12R0.47 C#CCCNC(=O)CSCCCC 1626a_100000755551_100000191162 [0,2,0,0,0,0|1,0,1]=4 13186 B12R0.47 C#CCCNC(=O)CSCCCC 240690a_100000755551_100000191162 [0,2,0,0,0,0|1,0,1]=4 13187 B12R0.47 C#CCCNC(=O)CSCCCC 527a_100000755551_100000191162 [0,2,0,0,0,0|1,0,1]=4 13188 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13189 B12R0.47 C#CCCNC(=O)NCCCCC 2708a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13190 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13191 B12R0.47 C#CCCNC(=O)NCCCCC 273464a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13192 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000209983_100000755551 [0,2,0,0,0,0|1,0,1]=4 13193 B12R0.47 C#CCCNC(=O)NCCCCC 512a_100000755551_100000209983 [0,2,0,0,0,0|1,0,1]=4 13194 B12R0.47 C#CCCNCC(=O)CCCCC 34a_100000755551_200012276598 [0,2,0,0,0,0|1,0,1]=4 13195 B12R0.47 C#CCCNCC(=O)OCCCC 34a_100000755551_100000211628 [0,2,0,0,0,0|0,0,2]=4 13196 B12R0.47 C#CCCNCC(=O)OCCOC 34a_100000755551_200000040189 [0,2,0,0,0,0|0,0,2]=4 13197 B12R0.47 C#CCCOCC(=O)CCCCC 34a_100011215631_200012276598 [0,2,0,0,0,0|0,0,1]=3 13198 B12R0.47 C#CCCOCC(=O)NCCCC 34a_100011215631_100000182744 [0,2,0,0,0,0|1,0,1]=4 13199 B12R0.47 C#CCCOCC(=O)OCCCC 34a_100011215631_100000211628 [0,2,0,0,0,0|0,0,2]=4 13200 B12R0.47 C#CCCOCC(=O)OCCOC 34a_100011215631_200000040189 [0,2,0,0,0,0|0,0,2]=4 13201 B12R0.47 C#CCCSCC(=O)CCCCC 62a_100000688953_200012276598 [0,2,0,0,0,0|0,1,1]=4 13202 B12R0.47 C#CCCSCC(=O)CCCCC 62a_200012276598_100000688953 [0,2,0,0,0,0|0,1,1]=4 13203 B12R0.47 C#CCCSCC(=O)OCCCC 62a_100000211628_100000688953 [0,2,0,0,0,0|0,0,2]=4 13204 B12R0.47 C#CCCSCC(=O)OCCCC 62a_100000688953_100000211628 [0,2,0,0,0,0|0,0,2]=4 13205 B12R0.47 C#CCCSCC(=O)OCCOC 62a_100000688953_200000040189 [0,2,0,0,0,0|0,0,2]=4 13206 B12R0.47 C#CCCSCC(=O)OCCOC 62a_200000040189_100000688953 [0,2,0,0,0,0|0,0,2]=4 13207 B12R0.47 C#CCOCC(=O)CCCCCC 1458a_100011251226_100000210757 [0,2,0,0,0,0|0,0,2]=4 13208 B12R0.47 C#CCOCC(=O)CCCCCF 1458a_100011251226_100000729378 [0,2,0,0,0,0|0,0,2]=4 13209 B12R0.47 C#CCOCC(=O)CCCCCO 1458a_100011251226_100000746330 [0,2,0,0,0,0|0,0,2]=4 13210 B12R0.47 C#CCOCC(=O)CCCCOC 1458a_100011251226_100000755781 [0,2,0,0,0,0|0,0,2]=4 13211 B12R0.47 C#CCOCC(=O)CCCOCC 1458a_100011251226_100012232248 [0,2,0,0,0,0|0,0,2]=4 13212 B12R0.47 C#CCOCC(=O)CCOCCC 1458a_100011251226_100011215938 [0,2,0,0,0,0|0,0,2]=4 13213 B12R0.47 C#CCOCC(=O)COCCCC 1458a_100011251226_100011995733 [0,2,0,0,0,0|0,0,2]=4 13214 B12R0.47 C#CCOCC(=O)NCCCCC 11a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 13215 B12R0.47 C#CCOCC(=O)NCCCCC 1626a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 13216 B12R0.47 C#CCOCC(=O)NCCCCC 34a_100000210247_100000230301 [0,2,0,0,0,0|0,0,2]=4 13217 B12R0.47 C#CCOCC(=O)NCCCCC 527a_100000209983_100011251226 [0,2,0,0,0,0|0,0,2]=4 13218 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000212188_100010402529 [0,2,0,0,0,0|0,0,2]=4 13219 B12R0.47 C#CCOCCC(=O)CCCCC 1458a_100000693358_100000210326 [0,2,0,0,0,0|0,0,2]=4 13220 B12R0.47 C#CCOCCC(=O)COCCC 1458a_100000745993_100010402529 [0,2,0,0,0,0|0,0,2]=4 13221 B12R0.47 C/C=C/CCOC(C)CCCCC 34a_100016278192_200011218191 [0,2,0,0,0,0|1,0,1]=4 13222 B12R0.47 C/C=C/COCC(=O)CCCCC 34a_100016270725_200012276598 [0,2,0,0,0,0|0,0,1]=3 13223 B12R0.47 C/C=C/COCC(=O)NCCCC 34a_100016270725_100000182744 [0,2,0,0,0,0|1,0,1]=4 13224 B12R0.47 C/C=C/COCC(=O)OCCCC 34a_100016270725_100000211628 [0,2,0,0,0,0|0,0,2]=4 13225 B12R0.47 C/C=C/COCC(=O)OCCOC 34a_100016270725_200000040189 [0,2,0,0,0,0|0,0,2]=4 13226 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_100102629194_200012276598 [0,2,0,0,0,0|0,1,1]=4 13227 B12R0.47 C/C=C/CSCC(=O)CCCCC 62a_200012276598_100102629194 [0,2,0,0,0,0|0,1,1]=4 13228 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100000211628_100102629194 [0,2,0,0,0,0|0,0,2]=4 13229 B12R0.47 C/C=C/CSCC(=O)OCCCC 62a_100102629194_100000211628 [0,2,0,0,0,0|0,0,2]=4 13230 B12R0.47 C/C=C/CSCC(=O)OCCOC 62a_100102629194_200000040189 [0,2,0,0,0,0|0,0,2]=4 13231 B12R0.47 C/C=C/CSCC(=O)OCCOC 62a_200000040189_100102629194 [0,2,0,0,0,0|0,0,2]=4 13232 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100000766728_100000210757 [0,2,0,0,0,0|1,0,1]=4 13233 B12R0.47 C=CCCCC(=O)CCCCCC 1458a_100102632555_100000757094 [0,2,0,0,0,0|1,0,1]=4 13234 B12R0.47 C=CCCCC(=O)CCCCCF 1458a_100000766728_100000729378 [0,2,0,0,0,0|1,0,1]=4 13235 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100000766728_100000746330 [0,2,0,0,0,0|1,0,1]=4 13236 B12R0.47 C=CCCCC(=O)CCCCCO 1458a_100102619762_100000757094 [0,2,0,0,0,0|1,0,1]=4 13237 B12R0.47 C=CCCCC(=O)CCCCOC 1458a_100000766728_100000755781 [0,2,0,0,0,0|1,0,1]=4 13238 B12R0.47 C=CCCCC(=O)CCCOCC 1458a_100000766728_100012232248 [0,2,0,0,0,0|1,0,1]=4 13239 B12R0.47 C=CCCCC(=O)CCOCCC 1458a_100000766728_100011215938 [0,2,0,0,0,0|0,0,2]=4 13240 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000757543_100000757094 [0,2,0,0,0,0|0,0,2]=4 13241 B12R0.47 C=CCCCC(=O)COCCCC 1458a_100000766728_100011995733 [0,2,0,0,0,0|0,0,2]=4 13242 B12R0.47 C=CCCCC(=O)COCCOC 1458a_100000211095_100000757094 [0,2,0,0,0,0|0,0,2]=4 13243 B12R0.47 C=CCCCC(=O)CSCCCC 1458a_100000191162_100000757094 [0,2,0,0,0,0|1,0,1]=4 13244 B12R0.47 C=CCCCC(=O)NCCCCC 11a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 13245 B12R0.47 C=CCCCC(=O)NCCCCC 1626a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 13246 B12R0.47 C=CCCCC(=O)NCCCCC 240690a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 13247 B12R0.47 C=CCCCC(=O)NCCCCC 527a_100000209983_100000766728 [0,2,0,0,0,0|1,0,1]=4 13248 B12R0.47 C=CCCCCC(=O)C#CCCC 1458a_200011218047_100011215482 [0,2,0,0,0,0|1,0,1]=4 13249 B12R0.47 C=CCCCCC(=O)C=CCCC 1458a_100000212230_100011215482 [0,2,0,0,0,0|1,0,1]=4 13250 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100000212188_100011215482 [0,2,0,0,0,0|1,0,0]=3 13251 B12R0.47 C=CCCCCC(=O)CCCCC 1458a_100011215552_100000210326 [0,2,0,0,0,0|1,0,0]=3 13252 B12R0.47 C=CCCCCC(=O)CCCCF 1458a_100011215552_100000729493 [0,2,0,0,0,0|1,0,1]=4 13253 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100000695505_100011215482 [0,2,0,0,0,0|1,0,1]=4 13254 B12R0.47 C=CCCCCC(=O)CCCCO 1458a_100011215552_100000210776 [0,2,0,0,0,0|1,0,1]=4 13255 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100000741012_100011215482 [0,2,0,0,0,0|1,0,1]=4 13256 B12R0.47 C=CCCCCC(=O)CCCOC 1458a_100011215552_100000740836 [0,2,0,0,0,0|1,0,1]=4 13257 B12R0.47 C=CCCCCC(=O)CCCSC 1458a_100000173376_100011215482 [0,2,0,0,0,0|1,0,1]=4 13258 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100000749530_100011215482 [0,2,0,0,0,0|1,0,1]=4 13259 B12R0.47 C=CCCCCC(=O)CCOCC 1458a_100011215552_100011215890 [0,2,0,0,0,0|1,0,1]=4 13260 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100000230768_100011215482 [0,2,0,0,0,0|1,0,1]=4 13261 B12R0.47 C=CCCCCC(=O)CCSCC 1458a_100011215552_100000757381 [0,2,0,0,0,0|1,0,1]=4 13262 B12R0.47 C=CCCCCC(=O)COCCC 1458a_100000745993_100011215482 [0,2,0,0,0,0|0,0,1]=3 13263 B12R0.47 C=CCCCCC(=O)COCCO 1458a_100000708028_100011215482 [0,2,0,0,0,0|1,0,1]=4 13264 B12R0.47 C=CCCCCC(=O)CSCCC 1458a_100000217233_100011215482 [0,2,0,0,0,0|0,1,1]=4 13265 B12R0.47 C=CCCCCC(=O)NCCCC 11a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 13266 B12R0.47 C=CCCCCC(=O)NCCCC 1626a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 13267 B12R0.47 C=CCCCCC(=O)NCCCC 240690a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 13268 B12R0.47 C=CCCCCC(=O)NCCCC 527a_100000102301_100011215552 [0,2,0,0,0,0|1,0,1]=4 13269 B12R0.47 C=CCCCCC(=O)NCCCF 11a_100015189416_100011215552 [0,2,0,0,0,0|1,0,1]=4 13270 B12R0.47 C=CCCCCC(=O)NCCCF 1626a_100015189416_100011215552 [0,2,0,0,0,0|1,0,1]=4 13271 B12R0.47 C=CCCCCC(=O)NCCCF 240690a_100015189416_100011215552 [0,2,0,0,0,0|1,0,1]=4 13272 B12R0.47 C=CCCCCC(=O)NCCCF 527a_100015189416_100011215552 [0,2,0,0,0,0|1,0,1]=4 13273 B12R0.47 C=CCCCCC(=O)NCCCO 240690a_100000182051_100011215552 [0,2,0,0,0,0|1,0,1]=4 13274 B12R0.47 C=CCCCCC(=O)NCCCO 527a_100000182051_100011215552 [0,2,0,0,0,0|1,0,1]=4 13275 B12R0.47 C=CCCCCC(=O)NCCOC 1626a_100000209980_100011215552 [0,2,0,0,0,0|1,0,1]=4 13276 B12R0.47 C=CCCCCC(=O)NCCOC 240690a_100000209980_100011215552 [0,2,0,0,0,0|1,0,1]=4 13277 B12R0.47 C=CCCCCC(=O)NCCOC 527a_100000209980_100011215552 [0,2,0,0,0,0|1,0,1]=4 13278 B12R0.47 C=CCCCCC(=O)NCCSC 11a_100020590264_100011215552 [0,2,0,0,0,0|1,0,1]=4 13279 B12R0.47 C=CCCCCC(=O)NCCSC 1626a_100020590264_100011215552 [0,2,0,0,0,0|1,0,1]=4 13280 B12R0.47 C=CCCCCC(=O)NCCSC 240690a_100020590264_100011215552 [0,2,0,0,0,0|1,0,1]=4 13281 B12R0.47 C=CCCCCC(=O)NCCSC 527a_100020590264_100011215552 [0,2,0,0,0,0|1,0,1]=4 13282 B12R0.47 C=CCCCCC(=O)NNCCC 22a_100000740057_100011215552 [0,2,0,0,0,0|1,0,1]=4 13283 B12R0.47 C=CCCCNC(=O)CCCCC 11a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 13284 B12R0.47 C=CCCCNC(=O)CCCCC 1626a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 13285 B12R0.47 C=CCCCNC(=O)CCCCC 240690a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 13286 B12R0.47 C=CCCCNC(=O)CCCCC 527a_100000700776_100000212188 [0,2,0,0,0,0|1,0,0]=3 13287 B12R0.47 C=CCCCNC(=O)CCCCO 1626a_100000700776_100000695505 [0,2,0,0,0,0|2,0,0]=4 13288 B12R0.47 C=CCCCNC(=O)CCCOC 11a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 13289 B12R0.47 C=CCCCNC(=O)CCCOC 1626a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 13290 B12R0.47 C=CCCCNC(=O)CCCOC 240690a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 13291 B12R0.47 C=CCCCNC(=O)CCCOC 527a_100000700776_100000741012 [0,2,0,0,0,0|2,0,0]=4 13292 B12R0.47 C=CCCCNC(=O)CCCSC 11a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 13293 B12R0.47 C=CCCCNC(=O)CCCSC 1626a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 13294 B12R0.47 C=CCCCNC(=O)CCCSC 240690a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 13295 B12R0.47 C=CCCCNC(=O)CCCSC 527a_100000700776_100000173376 [0,2,0,0,0,0|2,0,0]=4 13296 B12R0.47 C=CCCCNC(=O)CCOCC 11a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 13297 B12R0.47 C=CCCCNC(=O)CCOCC 1626a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 13298 B12R0.47 C=CCCCNC(=O)CCOCC 240690a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 13299 B12R0.47 C=CCCCNC(=O)CCOCC 527a_100000700776_100000749530 [0,2,0,0,0,0|2,0,0]=4 13300 B12R0.47 C=CCCCNC(=O)CCSCC 11a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 13301 B12R0.47 C=CCCCNC(=O)CCSCC 1626a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 13302 B12R0.47 C=CCCCNC(=O)CCSCC 240690a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 13303 B12R0.47 C=CCCCNC(=O)CCSCC 527a_100000700776_100000230768 [0,2,0,0,0,0|2,0,0]=4 13304 B12R0.47 C=CCCCNC(=O)COCCC 11a_100000700776_100000745993 [0,2,0,0,0,0|0,0,2]=4 13305 B12R0.47 C=CCCCNC(=O)COCCC 1626a_100000700776_100000745993 [0,2,0,0,0,0|0,0,2]=4 13306 B12R0.47 C=CCCCNC(=O)COCCC 240690a_100000700776_100000745993 [0,2,0,0,0,0|0,0,2]=4 13307 B12R0.47 C=CCCCNC(=O)COCCC 527a_100000700776_100000745993 [0,2,0,0,0,0|0,0,2]=4 13308 B12R0.47 C=CCCCNC(=O)CSCCC 11a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 13309 B12R0.47 C=CCCCNC(=O)CSCCC 1626a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 13310 B12R0.47 C=CCCCNC(=O)CSCCC 240690a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 13311 B12R0.47 C=CCCCNC(=O)CSCCC 527a_100000700776_100000217233 [0,2,0,0,0,0|2,0,0]=4 13312 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 13313 B12R0.47 C=CCCCNC(=O)NCCCC 2708a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 13314 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 13315 B12R0.47 C=CCCCNC(=O)NCCCC 273464a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 13316 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000102301_100000700776 [0,2,0,0,0,0|2,0,0]=4 13317 B12R0.47 C=CCCCNC(=O)NCCCC 512a_100000700776_100000102301 [0,2,0,0,0,0|2,0,0]=4 13318 B12R0.47 C=CCCCOC(C)CCCCC 34a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 13319 B12R0.47 C=CCCCOC(C)CCCCC 34a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 13320 B12R0.47 C=CCCCOC(C)CCCCC 7a_100000758997_200011218191 [0,2,0,0,0,0|1,0,1]=4 13321 B12R0.47 C=CCCCOC(C)CCCCC 7a_100011215632_100000757094 [0,2,0,0,0,0|1,0,1]=4 13322 B12R0.47 C=CCCNC(=O)CCCCCC 11a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13323 B12R0.47 C=CCCNC(=O)CCCCCC 1626a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13324 B12R0.47 C=CCCNC(=O)CCCCCC 240690a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13325 B12R0.47 C=CCCNC(=O)CCCCCC 527a_100015191253_100102632555 [0,2,0,0,0,0|1,0,1]=4 13326 B12R0.47 C=CCCNC(=O)CCCCCO 240690a_100015191253_100102619762 [0,2,0,0,0,0|1,0,1]=4 13327 B12R0.47 C=CCCNC(=O)COCCCC 11a_100015191253_100000757543 [0,2,0,0,0,0|1,0,1]=4 13328 B12R0.47 C=CCCNC(=O)COCCCC 1626a_100015191253_100000757543 [0,2,0,0,0,0|1,0,1]=4 13329 B12R0.47 C=CCCNC(=O)COCCCC 240690a_100015191253_100000757543 [0,2,0,0,0,0|1,0,1]=4 13330 B12R0.47 C=CCCNC(=O)COCCCC 527a_100015191253_100000757543 [0,2,0,0,0,0|1,0,1]=4 13331 B12R0.47 C=CCCNC(=O)CSCCCC 11a_100015191253_100000191162 [0,2,0,0,0,0|1,0,1]=4 13332 B12R0.47 C=CCCNC(=O)CSCCCC 1626a_100015191253_100000191162 [0,2,0,0,0,0|1,0,1]=4 13333 B12R0.47 C=CCCNC(=O)CSCCCC 240690a_100015191253_100000191162 [0,2,0,0,0,0|1,0,1]=4 13334 B12R0.47 C=CCCNC(=O)CSCCCC 527a_100015191253_100000191162 [0,2,0,0,0,0|1,0,1]=4 13335 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13336 B12R0.47 C=CCCNC(=O)NCCCCC 2708a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13337 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13338 B12R0.47 C=CCCNC(=O)NCCCCC 273464a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13339 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100000209983_100015191253 [0,2,0,0,0,0|1,0,1]=4 13340 B12R0.47 C=CCCNC(=O)NCCCCC 512a_100015191253_100000209983 [0,2,0,0,0,0|1,0,1]=4 13341 B12R0.47 C=CCCNCC(=O)CCCCC 2230a_100015191253_200012276598 [0,2,0,0,0,0|1,0,1]=4 13342 B12R0.47 C=CCCNCC(=O)OCCCC 2230a_100015191253_100000211628 [0,2,0,0,0,0|0,0,2]=4 13343 B12R0.47 C=CCCNCC(=O)OCCOC 2230a_100015191253_200000040189 [0,2,0,0,0,0|0,0,2]=4 13344 B12R0.47 C=CCCOCC(=O)CCCCC 34a_100011205117_200012276598 [0,2,0,0,0,0|0,0,1]=3 13345 B12R0.47 C=CCCOCC(=O)NCCCC 34a_100011205117_100000182744 [0,2,0,0,0,0|1,0,1]=4 13346 B12R0.47 C=CCCOCC(=O)OCCCC 34a_100011205117_100000211628 [0,2,0,0,0,0|0,0,2]=4 13347 B12R0.47 C=CCCOCC(=O)OCCOC 34a_100011205117_200000040189 [0,2,0,0,0,0|0,0,2]=4 13348 B12R0.47 C=CCCSCC(=O)CCCCC 62a_100000754431_200012276598 [0,2,0,0,0,0|0,1,1]=4 13349 B12R0.47 C=CCCSCC(=O)CCCCC 62a_200012276598_100000754431 [0,2,0,0,0,0|0,1,1]=4 13350 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000211628_100000754431 [0,2,0,0,0,0|0,0,2]=4 13351 B12R0.47 C=CCCSCC(=O)OCCCC 62a_100000754431_100000211628 [0,2,0,0,0,0|0,0,2]=4 13352 B12R0.47 C=CCCSCC(=O)OCCOC 62a_100000754431_200000040189 [0,2,0,0,0,0|0,0,2]=4 13353 B12R0.47 C=CCCSCC(=O)OCCOC 62a_200000040189_100000754431 [0,2,0,0,0,0|0,0,2]=4 13354 B12R0.47 C=CCOCC(=O)NCCCCC 34a_200000210373_100000230301 [0,2,0,0,0,0|0,0,2]=4 13355 B12R0.47 C=CCOCCC(=O)CCCCC 1458a_200011217002_100000210326 [0,2,0,0,0,0|0,0,2]=4 13356 B12R0.47 CC#CCCOC(C)CCCCC 34a_100000750427_200011218191 [0,2,0,0,0,0|1,0,1]=4 13357 B12R0.47 CC#CCNC(=O)CCCCCC 11a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13358 B12R0.47 CC#CCNC(=O)CCCCCC 1626a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13359 B12R0.47 CC#CCNC(=O)CCCCCC 527a_100000685387_100102632555 [0,2,0,0,0,0|1,0,1]=4 13360 B12R0.47 CC#CCNC(=O)COCCCC 11a_100000685387_100000757543 [0,2,0,0,0,0|1,0,1]=4 13361 B12R0.47 CC#CCNC(=O)COCCCC 1626a_100000685387_100000757543 [0,2,0,0,0,0|1,0,1]=4 13362 B12R0.47 CC#CCNC(=O)COCCCC 527a_100000685387_100000757543 [0,2,0,0,0,0|1,0,1]=4 13363 B12R0.47 CC#CCNC(=O)CSCCCC 11a_100000685387_100000191162 [0,2,0,0,0,0|1,0,1]=4 13364 B12R0.47 CC#CCNC(=O)CSCCCC 1626a_100000685387_100000191162 [0,2,0,0,0,0|1,0,1]=4 13365 B12R0.47 CC#CCNC(=O)CSCCCC 527a_100000685387_100000191162 [0,2,0,0,0,0|1,0,1]=4 13366 B12R0.47 CC#CCNC(=O)NCCCCC 2708a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13367 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13368 B12R0.47 CC#CCNC(=O)NCCCCC 273464a_100000685387_100000209983 [0,2,0,0,0,0|1,0,1]=4 13369 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000209983_100000685387 [0,2,0,0,0,0|1,0,1]=4 13370 B12R0.47 CC#CCNC(=O)NCCCCC 512a_100000685387_100000209983 [0,2,0,0,0,0|1,0,1]=4 13371 B12R0.47 CC#CCNCC(=O)CCCCC 2230a_100000685387_200012276598 [0,2,0,0,0,0|1,0,1]=4 13372 B12R0.47 CC#CCNCC(=O)CCCCC 34a_100000685387_200012276598 [0,2,0,0,0,0|1,0,1]=4 13373 B12R0.47 CC#CCNCC(=O)OCCCC 2230a_100000685387_100000211628 [0,2,0,0,0,0|0,0,2]=4 13374 B12R0.47 CC#CCNCC(=O)OCCCC 34a_100000685387_100000211628 [0,2,0,0,0,0|0,0,2]=4 13375 B12R0.47 CC#CCNCC(=O)OCCOC 2230a_100000685387_200000040189 [0,2,0,0,0,0|0,0,2]=4 13376 B12R0.47 CC#CCNCC(=O)OCCOC 34a_100000685387_200000040189 [0,2,0,0,0,0|0,0,2]=4 13377 B12R0.47 CC#CCOCC(=O)CCCCC 34a_100000761923_200012276598 [0,2,0,0,0,0|0,0,1]=3 13378 B12R0.47 CC#CCOCC(=O)NCCCC 34a_100000761923_100000182744 [0,2,0,0,0,0|1,0,1]=4 13379 B12R0.47 CC#CCOCC(=O)OCCCC 34a_100000761923_100000211628 [0,2,0,0,0,0|0,0,2]=4 13380 B12R0.47 CC#CCOCC(=O)OCCOC 34a_100000761923_200000040189 [0,2,0,0,0,0|0,0,2]=4 13381 B12R0.47 CC#CCSCC(=O)CCCCC 62a_100000748600_200012276598 [0,2,0,0,0,0|0,1,1]=4 13382 B12R0.47 CC#CCSCC(=O)CCCCC 62a_200012276598_100000748600 [0,2,0,0,0,0|0,1,1]=4 13383 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000211628_100000748600 [0,2,0,0,0,0|0,0,2]=4 13384 B12R0.47 CC#CCSCC(=O)OCCCC 62a_100000748600_100000211628 [0,2,0,0,0,0|0,0,2]=4 13385 B12R0.47 CC#CCSCC(=O)OCCOC 62a_100000748600_200000040189 [0,2,0,0,0,0|0,0,2]=4 13386 B12R0.47 CC#CCSCC(=O)OCCOC 62a_200000040189_100000748600 [0,2,0,0,0,0|0,0,2]=4 13387 B12R0.47 CC/C=C/CC(=O)CCCCCC 1458a_100016274230_100000210757 [0,2,0,0,0,0|1,0,1]=4 13388 B12R0.47 CC/C=C/CC(=O)CCCCCF 1458a_100016274230_100000729378 [0,2,0,0,0,0|1,0,1]=4 13389 B12R0.47 CC/C=C/CC(=O)CCCCCO 1458a_100016274230_100000746330 [0,2,0,0,0,0|1,0,1]=4 13390 B12R0.47 CC/C=C/CC(=O)CCCCOC 1458a_100016274230_100000755781 [0,2,0,0,0,0|1,0,1]=4 13391 B12R0.47 CC/C=C/CC(=O)CCCOCC 1458a_100016274230_100012232248 [0,2,0,0,0,0|1,0,1]=4 13392 B12R0.47 CC/C=C/CC(=O)CCOCCC 1458a_100016274230_100011215938 [0,2,0,0,0,0|0,0,2]=4 13393 B12R0.47 CC/C=C/CC(=O)COCCCC 1458a_100016274230_100011995733 [0,2,0,0,0,0|0,0,2]=4 13394 B12R0.47 CC/C=C/CC(=O)NCCCCC 11a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 13395 B12R0.47 CC/C=C/CC(=O)NCCCCC 1626a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 13396 B12R0.47 CC/C=C/CC(=O)NCCCCC 240690a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 13397 B12R0.47 CC/C=C/CC(=O)NCCCCC 527a_100000209983_100016274230 [0,2,0,0,0,0|1,0,1]=4 13398 B12R0.47 CC/C=C\CC(=O)CCCCCC 1458a_100102632555_100103147603 [0,2,0,0,0,0|1,0,1]=4 13399 B12R0.47 CC/C=C\CC(=O)CCCCCO 1458a_100102619762_100103147603 [0,2,0,0,0,0|1,0,1]=4 13400 B12R0.47 CC/C=C\CC(=O)COCCCC 1458a_100000757543_100103147603 [0,2,0,0,0,0|0,0,2]=4 13401 B12R0.47 CC/C=C\CC(=O)COCCOC 1458a_100000211095_100103147603 [0,2,0,0,0,0|0,0,2]=4 13402 B12R0.47 CC/C=C\CC(=O)CSCCCC 1458a_100000191162_100103147603 [0,2,0,0,0,0|1,0,1]=4 13403 B12R0.47 CC/C=C\CCC(=O)C#CCCC 1458a_200011218047_100015370543 [0,2,0,0,0,0|1,0,1]=4 13404 B12R0.47 CC/C=C\CCC(=O)C=CCCC 1458a_100000212230_100015370543 [0,2,0,0,0,0|1,0,1]=4 13405 B12R0.47 CC/C=C\CCC(=O)CCCCC 1458a_100000212188_100015370543 [0,2,0,0,0,0|1,0,0]=3 13406 B12R0.47 CC/C=C\CCC(=O)CCCCO 1458a_100000695505_100015370543 [0,2,0,0,0,0|1,0,1]=4 13407 B12R0.47 CC/C=C\CCC(=O)CCCOC 1458a_100000741012_100015370543 [0,2,0,0,0,0|1,0,1]=4 13408 B12R0.47 CC/C=C\CCC(=O)CCCSC 1458a_100000173376_100015370543 [0,2,0,0,0,0|1,0,1]=4 13409 B12R0.47 CC/C=C\CCC(=O)CCOCC 1458a_100000749530_100015370543 [0,2,0,0,0,0|1,0,1]=4 13410 B12R0.47 CC/C=C\CCC(=O)CCSCC 1458a_100000230768_100015370543 [0,2,0,0,0,0|1,0,1]=4 13411 B12R0.47 CC/C=C\CCC(=O)COCCC 1458a_100000745993_100015370543 [0,2,0,0,0,0|0,0,1]=3 13412 B12R0.47 CC/C=C\CCC(=O)COCCO 1458a_100000708028_100015370543 [0,2,0,0,0,0|1,0,1]=4 13413 B12R0.47 CC/C=C\CCC(=O)CSCCC 1458a_100000217233_100015370543 [0,2,0,0,0,0|0,1,1]=4 13414 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100011215632_100103147603 [0,2,0,0,0,0|1,0,1]=4 13415 B12R0.47 CC/C=C\COC(C)CCCCC 34a_100016268518_200011218191 [0,2,0,0,0,0|1,0,1]=4 13416 B12R0.47 CC/C=C\COC(C)CCCCC 7a_100011215632_100103147603 [0,2,0,0,0,0|1,0,1]=4 13417 B12R0.47 CC=CCSCC(=O)CCCCC 62a_100000070051_200012276598 [0,2,0,0,0,0|0,1,1]=4 13418 B12R0.47 CC=CCSCC(=O)CCCCC 62a_200012276598_100000070051 [0,2,0,0,0,0|0,1,1]=4 13419 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000070051_100000211628 [0,2,0,0,0,0|0,0,2]=4 13420 B12R0.47 CC=CCSCC(=O)OCCCC 62a_100000211628_100000070051 [0,2,0,0,0,0|0,0,2]=4 13421 B12R0.47 CC=CCSCC(=O)OCCOC 62a_100000070051_200000040189 [0,2,0,0,0,0|0,0,2]=4 13422 B12R0.47 CC=CCSCC(=O)OCCOC 62a_200000040189_100000070051 [0,2,0,0,0,0|0,0,2]=4 13423 B12R0.47 CCC#CCC(=O)CCCCCC 1458a_100102632555_100009813939 [0,2,0,0,0,0|1,0,1]=4 13424 B12R0.47 CCC#CCC(=O)CCCCCO 1458a_100102619762_100009813939 [0,2,0,0,0,0|1,0,1]=4 13425 B12R0.47 CCC#CCC(=O)COCCCC 1458a_100000757543_100009813939 [0,2,0,0,0,0|0,0,2]=4 13426 B12R0.47 CCC#CCC(=O)COCCOC 1458a_100000211095_100009813939 [0,2,0,0,0,0|0,0,2]=4 13427 B12R0.47 CCC#CCC(=O)CSCCCC 1458a_100000191162_100009813939 [0,2,0,0,0,0|1,0,1]=4 13428 B12R0.47 CCC#CCOC(C)CCCCC 34a_100000032950_200011218191 [0,2,0,0,0,0|1,0,1]=4 13429 B12R0.47 CCC#CCOC(C)CCCCC 34a_100011215632_100009813939 [0,2,0,0,0,0|1,0,1]=4 13430 B12R0.47 CCC#CCOC(C)CCCCC 7a_100011215632_100009813939 [0,2,0,0,0,0|1,0,1]=4 13431 B12R0.47 CCC/C=C/CC(=O)CCCCC 1458a_200016266809_100000210326 [0,2,0,0,0,0|1,0,0]=3 13432 B12R0.47 CCC/C=C/CC(=O)CCCCF 1458a_200016266809_100000729493 [0,2,0,0,0,0|1,0,1]=4 13433 B12R0.47 CCC/C=C/CC(=O)CCCCO 1458a_200016266809_100000210776 [0,2,0,0,0,0|1,0,1]=4 13434 B12R0.47 CCC/C=C/CC(=O)CCCOC 1458a_200016266809_100000740836 [0,2,0,0,0,0|1,0,1]=4 13435 B12R0.47 CCC/C=C/CC(=O)CCOCC 1458a_200016266809_100011215890 [0,2,0,0,0,0|1,0,1]=4 13436 B12R0.47 CCC/C=C/CC(=O)CCSCC 1458a_200016266809_100000757381 [0,2,0,0,0,0|1,0,1]=4 13437 B12R0.47 CCC/C=C/CC(=O)NCCCC 11a_100000102301_200016266809 [0,2,0,0,0,0|1,0,1]=4 13438 B12R0.47 CCC/C=C/CC(=O)NCCCC 1626a_100000102301_200016266809 [0,2,0,0,0,0|1,0,1]=4 13439 B12R0.47 CCC/C=C/CC(=O)NCCCC 240690a_100000102301_200016266809 [0,2,0,0,0,0|1,0,1]=4 13440 B12R0.47 CCC/C=C/CC(=O)NCCCC 527a_100000102301_200016266809 [0,2,0,0,0,0|1,0,1]=4 13441 B12R0.47 CCC/C=C/CC(=O)NCCCF 11a_100015189416_200016266809 [0,2,0,0,0,0|1,0,1]=4 13442 B12R0.47 CCC/C=C/CC(=O)NCCCF 1626a_100015189416_200016266809 [0,2,0,0,0,0|1,0,1]=4 13443 B12R0.47 CCC/C=C/CC(=O)NCCCF 240690a_100015189416_200016266809 [0,2,0,0,0,0|1,0,1]=4 13444 B12R0.47 CCC/C=C/CC(=O)NCCCF 527a_100015189416_200016266809 [0,2,0,0,0,0|1,0,1]=4 13445 B12R0.47 CCC/C=C/CC(=O)NCCCO 240690a_100000182051_200016266809 [0,2,0,0,0,0|1,0,1]=4 13446 B12R0.47 CCC/C=C/CC(=O)NCCCO 527a_100000182051_200016266809 [0,2,0,0,0,0|1,0,1]=4 13447 B12R0.47 CCC/C=C/CC(=O)NCCOC 1626a_100000209980_200016266809 [0,2,0,0,0,0|1,0,1]=4 13448 B12R0.47 CCC/C=C/CC(=O)NCCOC 240690a_100000209980_200016266809 [0,2,0,0,0,0|1,0,1]=4 13449 B12R0.47 CCC/C=C/CC(=O)NCCOC 527a_100000209980_200016266809 [0,2,0,0,0,0|1,0,1]=4 13450 B12R0.47 CCC/C=C/CC(=O)NCCSC 11a_100020590264_200016266809 [0,2,0,0,0,0|1,0,1]=4 13451 B12R0.47 CCC/C=C/CC(=O)NCCSC 1626a_100020590264_200016266809 [0,2,0,0,0,0|1,0,1]=4 13452 B12R0.47 CCC/C=C/CC(=O)NCCSC 240690a_100020590264_200016266809 [0,2,0,0,0,0|1,0,1]=4 13453 B12R0.47 CCC/C=C/CC(=O)NCCSC 527a_100020590264_200016266809 [0,2,0,0,0,0|1,0,1]=4 13454 B12R0.47 CCC/C=C/CC(=O)NNCCC 22a_100000740057_200016266809 [0,2,0,0,0,0|1,0,1]=4 13455 B12R0.47 CCC=NNC(=O)CCCCCC 4a_100011221127_100000210100 [0,2,0,0,0,0|1,0,1]=4 13456 B12R0.47 CCCC#CC(=O)CCCCC#N 1458a_200011218047_100000211819 [0,2,0,0,0,0|1,0,1]=4 13457 B12R0.47 CCCC#CC(=O)CCCCCC 1458a_200011218047_100000210757 [0,2,0,0,0,0|1,0,0]=3 13458 B12R0.47 CCCC#CC(=O)CCCCCF 1458a_200011218047_100000729378 [0,2,0,0,0,0|1,0,0]=3 13459 B12R0.47 CCCC#CC(=O)CCCCCO 1458a_200011218047_100000746330 [0,2,0,0,0,0|1,0,0]=3 13460 B12R0.47 CCCC#CC(=O)CCCCOC 1458a_200011218047_100000755781 [0,2,0,0,0,0|1,0,0]=3 13461 B12R0.47 CCCC#CC(=O)CCCOCC 1458a_200011218047_100012232248 [0,2,0,0,0,0|1,0,0]=3 13462 B12R0.47 CCCC#CC(=O)CCOCCC 1458a_200011218047_100011215938 [0,2,0,0,0,0|1,0,0]=3 13463 B12R0.47 CCCC#CC(=O)CCOCCO 1458a_200011218047_100011215305 [0,2,0,0,0,0|2,0,0]=4 13464 B12R0.47 CCCC#CC(=O)COCCCC 1458a_200011218047_100011995733 [0,2,0,0,0,0|1,0,0]=3 13465 B12R0.47 CCCC#CC(=O)NCCCCC 240690a_100000209983_200011218047 [0,2,0,0,0,0|1,0,0]=3 13466 B12R0.47 CCCC#CC(=O)NCCCCO 240690a_100000750430_200011218047 [0,2,0,0,0,0|2,0,0]=4 13467 B12R0.47 CCCC#CC(=O)NCCCOC 240690a_100150723488_200011218047 [0,2,0,0,0,0|2,0,0]=4 13468 B12R0.47 CCCC#CC(=O)NCCCSC 240690a_100000749238_200011218047 [0,2,0,0,0,0|2,0,0]=4 13469 B12R0.47 CCCC#CC(=O)NCCOCC 240690a_100011200944_200011218047 [0,2,0,0,0,0|2,0,0]=4 13470 B12R0.47 CCCC#CC(=O)NCCSCC 240690a_100000106463_200011218047 [0,2,0,0,0,0|2,0,0]=4 13471 B12R0.47 CCCC#CC(=O)NNCCCC 22a_100025702795_200011218047 [0,2,0,0,0,0|2,0,0]=4 13472 B12R0.47 CCCC=CC(=O)CCCCC#N 1458a_100000212230_100000211819 [0,2,0,0,0,0|1,0,1]=4 13473 B12R0.47 CCCC=CC(=O)CCCCCC 1458a_100000212230_100000210757 [0,2,0,0,0,0|1,0,0]=3 13474 B12R0.47 CCCC=CC(=O)CCCCCF 1458a_100000212230_100000729378 [0,2,0,0,0,0|1,0,0]=3 13475 B12R0.47 CCCC=CC(=O)CCCCCO 1458a_100000212230_100000746330 [0,2,0,0,0,0|1,0,0]=3 13476 B12R0.47 CCCC=CC(=O)CCCCOC 1458a_100000212230_100000755781 [0,2,0,0,0,0|1,0,0]=3 13477 B12R0.47 CCCC=CC(=O)CCCOCC 1458a_100000212230_100012232248 [0,2,0,0,0,0|1,0,0]=3 13478 B12R0.47 CCCC=CC(=O)CCOCCC 1458a_100000212230_100011215938 [0,2,0,0,0,0|1,0,0]=3 13479 B12R0.47 CCCC=CC(=O)CCOCCO 1458a_100000212230_100011215305 [0,2,0,0,0,0|2,0,0]=4 13480 B12R0.47 CCCC=CC(=O)COCCCC 1458a_100000212230_100011995733 [0,2,0,0,0,0|1,0,0]=3 13481 B12R0.47 CCCC=CC(=O)NCCCCC 11a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13482 B12R0.47 CCCC=CC(=O)NCCCCC 1626a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13483 B12R0.47 CCCC=CC(=O)NCCCCC 240690a_100000209983_100000212230 [0,2,0,0,0,0|1,0,0]=3 13484 B12R0.47 CCCC=CC(=O)NCCCCO 240690a_100000750430_100000212230 [0,2,0,0,0,0|2,0,0]=4 13485 B12R0.47 CCCC=CC(=O)NCCCOC 1626a_100150723488_100000212230 [0,2,0,0,0,0|2,0,0]=4 13486 B12R0.47 CCCC=CC(=O)NCCCOC 240690a_100150723488_100000212230 [0,2,0,0,0,0|2,0,0]=4 13487 B12R0.47 CCCC=CC(=O)NCCCSC 11a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13488 B12R0.47 CCCC=CC(=O)NCCCSC 1626a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13489 B12R0.47 CCCC=CC(=O)NCCCSC 240690a_100000749238_100000212230 [0,2,0,0,0,0|2,0,0]=4 13490 B12R0.47 CCCC=CC(=O)NCCOCC 11a_100011200944_100000212230 [0,2,0,0,0,0|2,0,0]=4 13491 B12R0.47 CCCC=CC(=O)NCCOCC 1626a_102516460346_100000212230 [0,2,0,0,0,0|2,0,0]=4 13492 B12R0.47 CCCC=CC(=O)NCCOCC 240690a_100011200944_100000212230 [0,2,0,0,0,0|2,0,0]=4 13493 B12R0.47 CCCC=CC(=O)NCCSCC 11a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13494 B12R0.47 CCCC=CC(=O)NCCSCC 1626a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13495 B12R0.47 CCCC=CC(=O)NCCSCC 240690a_100000106463_100000212230 [0,2,0,0,0,0|2,0,0]=4 13496 B12R0.47 CCCC=CC(=O)NNCCCC 22a_100025702795_100000212230 [0,2,0,0,0,0|2,0,0]=4 13497 B12R0.47 CCCC=NNC(=O)CCCCC 4a_100000189784_100000185831 [0,2,0,0,0,0|1,0,0]=3 13498 B12R0.47 CCCCC=CC(=O)CCCCC 1458a_100016266645_100000210326 [0,2,0,0,0,0|1,0,0]=3 13499 B12R0.47 CCCCC=CC(=O)CCCCF 1458a_100016266645_100000729493 [0,2,0,0,0,0|1,0,1]=4 13500 B12R0.47 CCCCC=CC(=O)CCCCO 1458a_100016266645_100000210776 [0,2,0,0,0,0|1,0,1]=4 13501 B12R0.47 CCCCC=CC(=O)CCCOC 1458a_100016266645_100000740836 [0,2,0,0,0,0|1,0,1]=4 13502 B12R0.47 CCCCC=CC(=O)CCOCC 1458a_100016266645_100011215890 [0,2,0,0,0,0|1,0,1]=4 13503 B12R0.47 CCCCC=CC(=O)CCSCC 1458a_100016266645_100000757381 [0,2,0,0,0,0|1,0,1]=4 13504 B12R0.47 CCCCC=CC(=O)NCCCC 11a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13505 B12R0.47 CCCCC=CC(=O)NCCCC 1626a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13506 B12R0.47 CCCCC=CC(=O)NCCCC 240690a_100000102301_100016266645 [0,2,0,0,0,0|1,0,1]=4 13507 B12R0.47 CCCCC=CC(=O)NCCCF 11a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13508 B12R0.47 CCCCC=CC(=O)NCCCF 1626a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13509 B12R0.47 CCCCC=CC(=O)NCCCF 240690a_100015189416_100016266645 [0,2,0,0,0,0|1,0,1]=4 13510 B12R0.47 CCCCC=CC(=O)NCCCO 240690a_100000182051_100016266645 [0,2,0,0,0,0|1,0,1]=4 13511 B12R0.47 CCCCC=CC(=O)NCCOC 1626a_100000209980_100016266645 [0,2,0,0,0,0|1,0,1]=4 13512 B12R0.47 CCCCC=CC(=O)NCCOC 240690a_100000209980_100016266645 [0,2,0,0,0,0|1,0,1]=4 13513 B12R0.47 CCCCC=CC(=O)NCCSC 11a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13514 B12R0.47 CCCCC=CC(=O)NCCSC 1626a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13515 B12R0.47 CCCCC=CC(=O)NCCSC 240690a_100020590264_100016266645 [0,2,0,0,0,0|1,0,1]=4 13516 B12R0.47 CCCCC=CC(=O)NNCCC 22a_100000740057_100016266645 [0,2,0,0,0,0|1,0,1]=4 13517 B12R0.47 CCCCCC(=NNCCCC)C 4a_100025702795_100000211708 [0,2,0,0,0,0|2,0,0]=4 13518 B12R0.47 CCCCCC(=O)CCCCC#N 1458a_100000212188_100000211819 [0,2,0,0,0,0|1,0,0]=3 13519 B12R0.47 CCCCCC(=O)CCCCCF 1458a_100000212188_100000729378 [0,2,0,0,0,0|1,0,0]=3 13520 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100000212188_100000746330 [0,2,0,0,0,0|1,0,0]=3 13521 B12R0.47 CCCCCC(=O)CCCCCO 1458a_100102619762_100000210326 [0,2,0,0,0,0|1,0,0]=3 13522 B12R0.47 CCCCCC(=O)CCCCOC 1458a_100000212188_100000755781 [0,2,0,0,0,0|1,0,0]=3 13523 B12R0.47 CCCCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210326 [0,2,0,0,0,0|2,0,0]=4 13524 B12R0.47 CCCCCC(=O)CCCOCC 1458a_100000212188_100012232248 [0,2,0,0,0,0|1,0,0]=3 13525 B12R0.47 CCCCCC(=O)CCOCC#N 1458a_100000212188_200000047693 [0,2,0,0,0,0|1,0,1]=4 13526 B12R0.47 CCCCCC(=O)CCOCCC 1458a_100000212188_100011215938 [0,2,0,0,0,0|0,0,0]=2 13527 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100000212188_100011215305 [0,2,0,0,0,0|1,0,0]=3 13528 B12R0.47 CCCCCC(=O)CCOCCO 1458a_100011229844_100000210326 [0,2,0,0,0,0|1,0,0]=3 13529 B12R0.47 CCCCCC(=O)CNCCCC 2230a_100000102301_200012276598 [0,2,0,0,0,0|1,0,0]=3 13530 B12R0.47 CCCCCC(=O)CNCCCC 7a_106832991798_200012276598 [0,2,0,0,0,0|1,0,0]=3 13531 B12R0.47 CCCCCC(=O)CNCCCF 2230a_100015189416_200012276598 [0,2,0,0,0,0|1,0,0]=3 13532 B12R0.47 CCCCCC(=O)CNCCCF 34a_100015189416_200012276598 [0,2,0,0,0,0|1,0,0]=3 13533 B12R0.47 CCCCCC(=O)CNCCOC 2230a_100000209980_200012276598 [0,2,0,0,0,0|1,0,0]=3 13534 B12R0.47 CCCCCC(=O)CNCCSC 2230a_100020590264_200012276598 [0,2,0,0,0,0|1,0,0]=3 13535 B12R0.47 CCCCCC(=O)COCCCBr 34a_100011217188_200012276598 [0,2,0,0,0,0|0,0,0]=2 13536 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000212188_100011995733 [0,2,0,0,0,0|0,0,0]=2 13537 B12R0.47 CCCCCC(=O)COCCCC 1458a_100000757543_100000210326 [0,2,0,0,0,0|0,0,0]=2 13538 B12R0.47 CCCCCC(=O)COCCCC 34a_100000210227_200012276598 [0,2,0,0,0,0|0,0,0]=2 13539 B12R0.47 CCCCCC(=O)COCCCC 7a_100000210227_200012276598 [0,2,0,0,0,0|0,0,0]=2 13540 B12R0.47 CCCCCC(=O)COCCCCl 34a_100000230001_200012276598 [0,2,0,0,0,0|0,0,0]=2 13541 B12R0.47 CCCCCC(=O)COCCCF 34a_100000759539_200012276598 [0,2,0,0,0,0|0,0,0]=2 13542 B12R0.47 CCCCCC(=O)COCCCN 34a_100000182051_200012276598 [0,2,0,0,0,0|0,0,0]=2 13543 B12R0.47 CCCCCC(=O)COCCOC 1458a_100000211095_100000210326 [0,2,0,0,0,0|0,0,0]=2 13544 B12R0.47 CCCCCC(=O)COCCOC 34a_100000210237_200012276598 [0,2,0,0,0,0|0,0,0]=2 13545 B12R0.47 CCCCCC(=O)COCCON 34a_100000700252_200012276598 [0,2,0,0,0,0|1,0,0]=3 13546 B12R0.47 CCCCCC(=O)COCCSC 34a_100000230434_200012276598 [0,2,0,0,0,0|0,0,0]=2 13547 B12R0.47 CCCCCC(=O)COCCSC 7a_100000230434_200012276598 [0,2,0,0,0,0|0,0,0]=2 13548 B12R0.47 CCCCCC(=O)CSCCC#N 62a_100011215226_200012276598 [0,2,0,0,0,0|0,1,1]=4 13549 B12R0.47 CCCCCC(=O)CSCCC#N 62a_200012276598_100011215226 [0,2,0,0,0,0|0,1,1]=4 13550 B12R0.47 CCCCCC(=O)CSCCCC 1458a_100000191162_100000210326 [0,2,0,0,0,0|0,1,0]=3 13551 B12R0.47 CCCCCC(=O)CSCCCC 62a_100000210211_200012276598 [0,2,0,0,0,0|0,1,0]=3 13552 B12R0.47 CCCCCC(=O)CSCCCC 62a_200012276598_100000210210 [0,2,0,0,0,0|0,1,0]=3 13553 B12R0.47 CCCCCC(=O)CSCCCF 62a_100011934791_200012276598 [0,2,0,0,0,0|0,1,0]=3 13554 B12R0.47 CCCCCC(=O)CSCCCF 62a_200012276598_100011934791 [0,2,0,0,0,0|0,1,0]=3 13555 B12R0.47 CCCCCC(=O)CSCCCO 62a_100011215043_200012276598 [0,2,0,0,0,0|0,1,0]=3 13556 B12R0.47 CCCCCC(=O)CSCCCO 62a_200012276598_100011215043 [0,2,0,0,0,0|0,1,0]=3 13557 B12R0.47 CCCCCC(=O)CSCCOC 62a_100000233755_200012276598 [0,2,0,0,0,0|0,1,0]=3 13558 B12R0.47 CCCCCC(=O)CSCCOC 62a_200012276598_100000233755 [0,2,0,0,0,0|0,1,0]=3 13559 B12R0.47 CCCCCC(=O)CSCCSC 62a_100000212216_200012276598 [0,2,0,0,0,0|0,1,0]=3 13560 B12R0.47 CCCCCC(=O)CSCCSC 62a_200012276598_100000751147 [0,2,0,0,0,0|0,1,0]=3 13561 B12R0.47 CCCCCC(=O)CSCOCC 62a_100000739092_200012276598 [0,2,0,0,0,0|0,1,0]=3 13562 B12R0.47 CCCCCC(=O)CSCOCC 62a_200012276598_100000739092 [0,2,0,0,0,0|0,1,0]=3 13563 B12R0.47 CCCCCC(=O)NCCCCO 240690a_100000750430_100000212188 [0,2,0,0,0,0|1,0,0]=3 13564 B12R0.47 CCCCCC(=O)NCCCCO 527a_100000750430_100000212188 [0,2,0,0,0,0|1,0,0]=3 13565 B12R0.47 CCCCCC(=O)NCCCOC 1626a_100150723488_100000212188 [0,2,0,0,0,0|1,0,0]=3 13566 B12R0.47 CCCCCC(=O)NCCCOC 240690a_100150723488_100000212188 [0,2,0,0,0,0|1,0,0]=3 13567 B12R0.47 CCCCCC(=O)NCCCOC 527a_100150723488_100000212188 [0,2,0,0,0,0|1,0,0]=3 13568 B12R0.47 CCCCCC(=O)NCCCSC 11a_100000749238_100000212188 [0,2,0,0,0,0|1,0,0]=3 13569 B12R0.47 CCCCCC(=O)NCCCSC 1626a_100000749238_100000212188 [0,2,0,0,0,0|1,0,0]=3 13570 B12R0.47 CCCCCC(=O)NCCCSC 240690a_100000749238_100000212188 [0,2,0,0,0,0|1,0,0]=3 13571 B12R0.47 CCCCCC(=O)NCCCSC 527a_100000749238_100000212188 [0,2,0,0,0,0|1,0,0]=3 13572 B12R0.47 CCCCCC(=O)NCCOCC 11a_100011200944_100000212188 [0,2,0,0,0,0|1,0,0]=3 13573 B12R0.47 CCCCCC(=O)NCCOCC 1626a_102516460346_100000212188 [0,2,0,0,0,0|1,0,0]=3 13574 B12R0.47 CCCCCC(=O)NCCOCC 240690a_100011200944_100000212188 [0,2,0,0,0,0|1,0,0]=3 13575 B12R0.47 CCCCCC(=O)NCCOCC 527a_100011200944_100000212188 [0,2,0,0,0,0|1,0,0]=3 13576 B12R0.47 CCCCCC(=O)NCCSCC 11a_100000106463_100000212188 [0,2,0,0,0,0|1,0,0]=3 13577 B12R0.47 CCCCCC(=O)NCCSCC 1626a_100000106463_100000212188 [0,2,0,0,0,0|1,0,0]=3 13578 B12R0.47 CCCCCC(=O)NCCSCC 240690a_100000106463_100000212188 [0,2,0,0,0,0|1,0,0]=3 13579 B12R0.47 CCCCCC(=O)NCCSCC 527a_100000106463_100000212188 [0,2,0,0,0,0|1,0,0]=3 13580 B12R0.47 CCCCCC(=O)NNCCC#N 22a_100000229987_100000212188 [0,2,0,0,0,0|1,0,1]=4 13581 B12R0.47 CCCCCC(=O)NNCCCC 22a_100025702795_100000212188 [0,2,0,0,0,0|1,0,0]=3 13582 B12R0.47 CCCCCC(=O)NNCCOC 22a_100000741390_100000212188 [0,2,0,0,0,0|1,0,0]=3 13583 B12R0.47 CCCCCC(C)OCCCC#N 7a_100011215632_100000687738 [0,2,0,0,0,0|1,0,1]=4 13584 B12R0.47 CCCCCC(C)OCCCC=O 7a_100011215632_200011292268 [0,2,0,0,0,0|1,0,1]=4 13585 B12R0.47 CCCCCC(C)OCCCCBr 34a_100011216708_200011218191 [0,2,0,0,0,0|1,0,1]=4 13586 B12R0.47 CCCCCC(C)OCCCCCl 34a_100000210776_200011218191 [0,2,0,0,0,0|1,0,1]=4 13587 B12R0.47 CCCCCC(C)OCCCCCl 7a_100000210776_200011218191 [0,2,0,0,0,0|1,0,1]=4 13588 B12R0.47 CCCCCC(C)OCCCCF 34a_100011215632_100000729493 [0,2,0,0,0,0|1,0,1]=4 13589 B12R0.47 CCCCCC(C)OCCCCF 34a_100011995726_200011218191 [0,2,0,0,0,0|1,0,1]=4 13590 B12R0.47 CCCCCC(C)OCCCCF 7a_100011215632_100000729493 [0,2,0,0,0,0|1,0,1]=4 13591 B12R0.47 CCCCCC(C)OCCCCF 7a_100011995726_200011218191 [0,2,0,0,0,0|1,0,1]=4 13592 B12R0.47 CCCCCC(C)OCCCCI 34a_200012148704_200011218191 [0,2,0,0,0,0|1,0,1]=4 13593 B12R0.47 CCCCCC(C)OCCCCN 34a_100000750430_200011218191 [0,2,0,0,0,0|1,0,1]=4 13594 B12R0.47 CCCCCC(C)OCCCCO 34a_100011215632_100011216708 [0,2,0,0,0,0|1,0,1]=4 13595 B12R0.47 CCCCCC(C)OCCCCO 7a_100011215632_100000210776 [0,2,0,0,0,0|1,0,1]=4 13596 B12R0.47 CCCCCC(C)OCCCNC 34a_100000213112_200011218191 [0,2,0,0,0,0|1,0,1]=4 13597 B12R0.47 CCCCCC(C)OCCCOC 34a_100000740835_200011218191 [0,2,0,0,0,0|1,0,1]=4 13598 B12R0.47 CCCCCC(C)OCCCOC 34a_100011215632_100000740836 [0,2,0,0,0,0|1,0,1]=4 13599 B12R0.47 CCCCCC(C)OCCCOC 7a_100011215632_100000740836 [0,2,0,0,0,0|1,0,1]=4 13600 B12R0.47 CCCCCC(C)OCCCSC 34a_100000690336_200011218191 [0,2,0,0,0,0|1,0,1]=4 13601 B12R0.47 CCCCCC(C)OCCCSC 7a_100000690336_200011218191 [0,2,0,0,0,0|1,0,1]=4 13602 B12R0.47 CCCCCC(C)OCCOCC 34a_100000210136_200011218191 [0,2,0,0,0,0|1,0,1]=4 13603 B12R0.47 CCCCCC(C)OCCOCC 34a_100011215632_100000210147 [0,2,0,0,0,0|1,0,1]=4 13604 B12R0.47 CCCCCC(C)OCCOCC 7a_100000210136_200011218191 [0,2,0,0,0,0|1,0,1]=4 13605 B12R0.47 CCCCCC(C)OCCOCC 7a_100011215632_100011215890 [0,2,0,0,0,0|1,0,1]=4 13606 B12R0.47 CCCCCC(C)OCCSCC 34a_100000212035_200011218191 [0,2,0,0,0,0|1,0,1]=4 13607 B12R0.47 CCCCCC(C)OCCSCC 34a_100011215632_100000757381 [0,2,0,0,0,0|1,0,1]=4 13608 B12R0.47 CCCCCC(C)OCCSCC 7a_100000212035_200011218191 [0,2,0,0,0,0|1,0,1]=4 13609 B12R0.47 CCCCCC(C)OCCSCC 7a_100011215632_100000757381 [0,2,0,0,0,0|1,0,1]=4 13610 B12R0.47 CCCCCCC(=NNCCC)C 4a_100000740057_100000210826 [0,2,0,0,0,0|2,0,0]=4 13611 B12R0.47 CCCCCCC(=O)C=CCOC 1458a_100016285016_100000210757 [0,2,0,0,0,0|1,0,1]=4 13612 B12R0.47 CCCCCCC(=O)C=COCC 1458a_100016266692_100000210757 [0,2,0,0,0,0|1,0,1]=4 13613 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100000075515_100000210757 [0,2,0,0,0,0|1,0,1]=4 13614 B12R0.47 CCCCCCC(=O)CCCC#N 1458a_100102632555_100000211468 [0,2,0,0,0,0|1,0,1]=4 13615 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100000212188_100000210757 [0,2,0,0,0,0|1,0,0]=3 13616 B12R0.47 CCCCCCC(=O)CCCCC 1458a_100102632555_100000210326 [0,2,0,0,0,0|1,0,0]=3 13617 B12R0.47 CCCCCCC(=O)CCCCF 1458a_100102632555_100000729493 [0,2,0,0,0,0|1,0,0]=3 13618 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100000695505_100000210757 [0,2,0,0,0,0|1,0,0]=3 13619 B12R0.47 CCCCCCC(=O)CCCCO 1458a_100102632555_100000210776 [0,2,0,0,0,0|1,0,0]=3 13620 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100000741012_100000210757 [0,2,0,0,0,0|1,0,0]=3 13621 B12R0.47 CCCCCCC(=O)CCCOC 1458a_100102632555_100000740836 [0,2,0,0,0,0|1,0,0]=3 13622 B12R0.47 CCCCCCC(=O)CCCSC 1458a_100000173376_100000210757 [0,2,0,0,0,0|1,0,0]=3 13623 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100000749530_100000210757 [0,2,0,0,0,0|1,0,0]=3 13624 B12R0.47 CCCCCCC(=O)CCOCC 1458a_100102632555_100011215890 [0,2,0,0,0,0|1,0,0]=3 13625 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100000230768_100000210757 [0,2,0,0,0,0|1,0,0]=3 13626 B12R0.47 CCCCCCC(=O)CCSCC 1458a_100102632555_100000757381 [0,2,0,0,0,0|1,0,0]=3 13627 B12R0.47 CCCCCCC(=O)COCCC 1458a_100000745993_100000210757 [0,2,0,0,0,0|0,0,0]=2 13628 B12R0.47 CCCCCCC(=O)COCCO 1458a_100000708028_100000210757 [0,2,0,0,0,0|1,0,0]=3 13629 B12R0.47 CCCCCCC(=O)CSCCC 1458a_100000217233_100000210757 [0,2,0,0,0,0|0,1,0]=3 13630 B12R0.47 CCCCCCC(=O)NCCC#N 11a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13631 B12R0.47 CCCCCCC(=O)NCCC#N 1626a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13632 B12R0.47 CCCCCCC(=O)NCCC#N 240690a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13633 B12R0.47 CCCCCCC(=O)NCCC#N 527a_100000720768_100102632555 [0,2,0,0,0,0|1,0,1]=4 13634 B12R0.47 CCCCCCC(=O)NCCCC 11a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13635 B12R0.47 CCCCCCC(=O)NCCCC 1626a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13636 B12R0.47 CCCCCCC(=O)NCCCC 240690a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13637 B12R0.47 CCCCCCC(=O)NCCCC 527a_100000102301_100102632555 [0,2,0,0,0,0|1,0,0]=3 13638 B12R0.47 CCCCCCC(=O)NCCCF 11a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13639 B12R0.47 CCCCCCC(=O)NCCCF 1626a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13640 B12R0.47 CCCCCCC(=O)NCCCF 240690a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13641 B12R0.47 CCCCCCC(=O)NCCCF 527a_100015189416_100102632555 [0,2,0,0,0,0|1,0,0]=3 13642 B12R0.47 CCCCCCC(=O)NCCCO 240690a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 13643 B12R0.47 CCCCCCC(=O)NCCCO 527a_100000182051_100102632555 [0,2,0,0,0,0|1,0,0]=3 13644 B12R0.47 CCCCCCC(=O)NCCOC 1626a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13645 B12R0.47 CCCCCCC(=O)NCCOC 240690a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13646 B12R0.47 CCCCCCC(=O)NCCOC 527a_100000209980_100102632555 [0,2,0,0,0,0|1,0,0]=3 13647 B12R0.47 CCCCCCC(=O)NCCSC 11a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13648 B12R0.47 CCCCCCC(=O)NCCSC 1626a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13649 B12R0.47 CCCCCCC(=O)NCCSC 240690a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13650 B12R0.47 CCCCCCC(=O)NCCSC 527a_100020590264_100102632555 [0,2,0,0,0,0|1,0,0]=3 13651 B12R0.47 CCCCCCC(=O)NNCCC 22a_100000740057_100102632555 [0,2,0,0,0,0|1,0,0]=3 13652 B12R0.47 CCCCCCC(=O)NNCCO 22a_100000210001_100102632555 [0,2,0,0,0,0|2,0,0]=4 13653 B12R0.47 CCCCCCC(C)OCCCBr 34a_100011217188_100011215978 [0,2,0,0,0,0|1,0,1]=4 13654 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 13655 B12R0.47 CCCCCCC(C)OCCCC 34a_100000210265_100000210210 [0,2,0,0,0,0|1,0,1]=4 13656 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210227_100011215978 [0,2,0,0,0,0|1,0,1]=4 13657 B12R0.47 CCCCCCC(C)OCCCC 7a_100000210265_100000210211 [0,2,0,0,0,0|1,0,1]=4 13658 B12R0.47 CCCCCCC(C)OCCCCl 34a_100000230001_100011215978 [0,2,0,0,0,0|1,0,1]=4 13659 B12R0.47 CCCCCCC(C)OCCCF 34a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 13660 B12R0.47 CCCCCCC(C)OCCCF 34a_100000759539_100011215978 [0,2,0,0,0,0|1,0,1]=4 13661 B12R0.47 CCCCCCC(C)OCCCF 7a_100000210265_100011934791 [0,2,0,0,0,0|1,0,1]=4 13662 B12R0.47 CCCCCCC(C)OCCCN 34a_100000182051_100011215978 [0,2,0,0,0,0|1,0,1]=4 13663 B12R0.47 CCCCCCC(C)OCCCO 34a_100000210265_100000230001 [0,2,0,0,0,0|1,0,1]=4 13664 B12R0.47 CCCCCCC(C)OCCCO 7a_100000210265_100011215043 [0,2,0,0,0,0|1,0,1]=4 13665 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210237_100011215978 [0,2,0,0,0,0|1,0,1]=4 13666 B12R0.47 CCCCCCC(C)OCCOC 34a_100000210265_100011201679 [0,2,0,0,0,0|1,0,1]=4 13667 B12R0.47 CCCCCCC(C)OCCOC 7a_100000210265_100000233755 [0,2,0,0,0,0|1,0,1]=4 13668 B12R0.47 CCCCCCC(C)OCCSC 34a_100000210265_100000212216 [0,2,0,0,0,0|1,0,1]=4 13669 B12R0.47 CCCCCCC(C)OCCSC 34a_100000230434_100011215978 [0,2,0,0,0,0|1,0,1]=4 13670 B12R0.47 CCCCCCC(C)OCCSC 7a_100000210265_100000212216 [0,2,0,0,0,0|1,0,1]=4 13671 B12R0.47 CCCCCCC(C)OCCSC 7a_100000230434_100011215978 [0,2,0,0,0,0|1,0,1]=4 13672 B12R0.47 CCCCCN(C)CCOCCC 2230a_100000223495_100011215938 [0,2,0,0,0,0|2,0,0]=4 13673 B12R0.47 CCCCCN(C)CCOCCC 269982a_100000223495_100011215938 [0,2,0,0,0,0|2,0,0]=4 13674 B12R0.47 CCCCCN(C)COCCCC 2230a_100000223495_100011995733 [0,2,0,0,0,0|2,0,0]=4 13675 B12R0.47 CCCCCN(C)COCCCC 269982a_100000223495_100011995733 [0,2,0,0,0,0|2,0,0]=4 13676 B12R0.47 CCCCCN(C)COCCOC 2230a_100000223495_100000231047 [0,2,0,0,0,0|2,0,0]=4 13677 B12R0.47 CCCCCN(C)COCCOC 269982a_100000223495_100000231047 [0,2,0,0,0,0|2,0,0]=4 13678 B12R0.47 CCCCCNC(=O)C=CCOC 11a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13679 B12R0.47 CCCCCNC(=O)C=CCOC 1626a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13680 B12R0.47 CCCCCNC(=O)C=CCOC 240690a_100000209983_100016285016 [0,2,0,0,0,0|1,0,1]=4 13681 B12R0.47 CCCCCNC(=O)C=COCC 11a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13682 B12R0.47 CCCCCNC(=O)C=COCC 1626a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13683 B12R0.47 CCCCCNC(=O)C=COCC 240690a_100000209983_100016266692 [0,2,0,0,0,0|1,0,1]=4 13684 B12R0.47 CCCCCNC(=O)CCCC#N 11a_100000209983_100000075515 [0,2,0,0,0,0|1,0,1]=4 13685 B12R0.47 CCCCCNC(=O)CCCC#N 1626a_100000209983_100000075515 [0,2,0,0,0,0|1,0,1]=4 13686 B12R0.47 CCCCCNC(=O)CCCC#N 240690a_100000209983_100000075515 [0,2,0,0,0,0|1,0,1]=4 13687 B12R0.47 CCCCCNC(=O)CCCC#N 527a_100000209983_100000075515 [0,2,0,0,0,0|1,0,1]=4 13688 B12R0.47 CCCCCNC(=O)CCCCC 11a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13689 B12R0.47 CCCCCNC(=O)CCCCC 1626a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13690 B12R0.47 CCCCCNC(=O)CCCCC 240690a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13691 B12R0.47 CCCCCNC(=O)CCCCC 527a_100000209983_100000212188 [0,2,0,0,0,0|1,0,0]=3 13692 B12R0.47 CCCCCNC(=O)CCCCO 1626a_100000209983_100000695505 [0,2,0,0,0,0|1,0,0]=3 13693 B12R0.47 CCCCCNC(=O)CCCOC 11a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13694 B12R0.47 CCCCCNC(=O)CCCOC 1626a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13695 B12R0.47 CCCCCNC(=O)CCCOC 240690a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13696 B12R0.47 CCCCCNC(=O)CCCOC 527a_100000209983_100000741012 [0,2,0,0,0,0|1,0,0]=3 13697 B12R0.47 CCCCCNC(=O)CCCSC 11a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13698 B12R0.47 CCCCCNC(=O)CCCSC 1626a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13699 B12R0.47 CCCCCNC(=O)CCCSC 240690a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13700 B12R0.47 CCCCCNC(=O)CCCSC 527a_100000209983_100000173376 [0,2,0,0,0,0|1,0,0]=3 13701 B12R0.47 CCCCCNC(=O)CCOCC 11a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13702 B12R0.47 CCCCCNC(=O)CCOCC 1626a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13703 B12R0.47 CCCCCNC(=O)CCOCC 240690a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13704 B12R0.47 CCCCCNC(=O)CCOCC 527a_100000209983_100000749530 [0,2,0,0,0,0|1,0,0]=3 13705 B12R0.47 CCCCCNC(=O)CCSCC 11a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13706 B12R0.47 CCCCCNC(=O)CCSCC 1626a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13707 B12R0.47 CCCCCNC(=O)CCSCC 240690a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13708 B12R0.47 CCCCCNC(=O)CCSCC 527a_100000209983_100000230768 [0,2,0,0,0,0|1,0,0]=3 13709 B12R0.47 CCCCCNC(=O)CNCCF 34a_100000724931_100000230301 [0,2,0,0,0,0|2,0,0]=4 13710 B12R0.47 CCCCCNC(=O)CNCCO 2230a_100016997473_100000230301 [0,2,0,0,0,0|2,0,0]=4 13711 B12R0.47 CCCCCNC(=O)CNCCO 34a_100016990907_100000230301 [0,2,0,0,0,0|2,0,0]=4 13712 B12R0.47 CCCCCNC(=O)COCCBr 34a_100000211926_100000230301 [0,2,0,0,0,0|1,0,0]=3 13713 B12R0.47 CCCCCNC(=O)COCCC 11a_100000209983_100000745993 [0,2,0,0,0,0|0,0,0]=2 13714 B12R0.47 CCCCCNC(=O)COCCC 1626a_100000209983_100000745993 [0,2,0,0,0,0|0,0,0]=2 13715 B12R0.47 CCCCCNC(=O)COCCC 240690a_100000209983_100000745993 [0,2,0,0,0,0|0,0,0]=2 13716 B12R0.47 CCCCCNC(=O)COCCC 34a_100000210258_100000230301 [0,2,0,0,0,0|0,0,0]=2 13717 B12R0.47 CCCCCNC(=O)COCCC 527a_100000209983_100000745993 [0,2,0,0,0,0|0,0,0]=2 13718 B12R0.47 CCCCCNC(=O)COCCN 34a_100000210304_100000230301 [0,2,0,0,0,0|1,0,0]=3 13719 B12R0.47 CCCCCNC(=O)COCCO 1626a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 13720 B12R0.47 CCCCCNC(=O)COCCO 240690a_100000209983_100000708028 [0,2,0,0,0,0|1,0,0]=3 13721 B12R0.47 CCCCCNC(=O)CSCCC 11a_100000209983_100000217233 [0,2,0,0,0,0|0,1,0]=3 13722 B12R0.47 CCCCCNC(=O)CSCCC 1626a_100000209983_100000217233 [0,2,0,0,0,0|0,1,0]=3 13723 B12R0.47 CCCCCNC(=O)CSCCC 240690a_100000209983_100000217233 [0,2,0,0,0,0|0,1,0]=3 13724 B12R0.47 CCCCCNC(=O)CSCCC 527a_100000209983_100000217233 [0,2,0,0,0,0|0,1,0]=3 13725 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000210303_100000230301 [0,2,0,0,0,0|0,1,0]=3 13726 B12R0.47 CCCCCNC(=O)CSCCC 62a_100000230301_100000210303 [0,2,0,0,0,0|0,1,0]=3 13727 B12R0.47 CCCCCNC(=O)CSCCF 62a_100000230301_100011217306 [0,2,0,0,0,0|1,1,0]=4 13728 B12R0.47 CCCCCNC(=O)CSCCF 62a_100011217306_100000230301 [0,2,0,0,0,0|1,1,0]=4 13729 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000211926_100000230301 [0,2,0,0,0,0|1,1,0]=4 13730 B12R0.47 CCCCCNC(=O)CSCCO 62a_100000230301_100000211926 [0,2,0,0,0,0|1,1,0]=4 13731 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000230301_100000766300 [0,2,0,0,0,0|1,1,0]=4 13732 B12R0.47 CCCCCNC(=O)CSCOC 62a_100000766300_100000230301 [0,2,0,0,0,0|1,1,0]=4 13733 B12R0.47 CCCCCNC(=O)CSCSC 62a_100000230301_100011218213 [0,2,0,0,0,0|1,1,0]=4 13734 B12R0.47 CCCCCNC(=O)CSCSC 62a_100011218213_100000230301 [0,2,0,0,0,0|1,1,0]=4 13735 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13736 B12R0.47 CCCCCNC(=O)NCCC#N 2708a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13737 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13738 B12R0.47 CCCCCNC(=O)NCCC#N 273464a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13739 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000209983_100000720768 [0,2,0,0,0,0|1,0,1]=4 13740 B12R0.47 CCCCCNC(=O)NCCC#N 512a_100000720768_100000209983 [0,2,0,0,0,0|1,0,1]=4 13741 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13742 B12R0.47 CCCCCNC(=O)NCCCC 2708a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13743 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13744 B12R0.47 CCCCCNC(=O)NCCCC 273464a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13745 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000102301_100000209983 [0,2,0,0,0,0|1,0,0]=3 13746 B12R0.47 CCCCCNC(=O)NCCCC 512a_100000209983_100000102301 [0,2,0,0,0,0|1,0,0]=3 13747 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13748 B12R0.47 CCCCCNC(=O)NCCCF 2708a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13749 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13750 B12R0.47 CCCCCNC(=O)NCCCF 273464a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13751 B12R0.47 CCCCCNC(=O)NCCCF 512a_100000209983_100015189416 [0,2,0,0,0,0|1,0,0]=3 13752 B12R0.47 CCCCCNC(=O)NCCCF 512a_100015189416_100000209983 [0,2,0,0,0,0|1,0,0]=3 13753 B12R0.47 CCCCCNC(=O)NCCCO 2708a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13754 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000182051_100000209983 [0,2,0,0,0,0|1,0,0]=3 13755 B12R0.47 CCCCCNC(=O)NCCCO 273464a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13756 B12R0.47 CCCCCNC(=O)NCCCO 512a_100000209983_100000182051 [0,2,0,0,0,0|1,0,0]=3 13757 B12R0.47 CCCCCNC(=O)NCCOC 2708a_100000209983_100000209980 [0,2,0,0,0,0|1,0,0]=3 13758 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209980_100000209983 [0,2,0,0,0,0|1,0,0]=3 13759 B12R0.47 CCCCCNC(=O)NCCOC 273464a_100000209983_100000209980 [0,2,0,0,0,0|1,0,0]=3 13760 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13761 B12R0.47 CCCCCNC(=O)NCCSC 2708a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13762 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13763 B12R0.47 CCCCCNC(=O)NCCSC 273464a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13764 B12R0.47 CCCCCNC(=O)NCCSC 512a_100000209983_100020590264 [0,2,0,0,0,0|1,0,0]=3 13765 B12R0.47 CCCCCNC(=O)NCCSC 512a_100020590264_100000209983 [0,2,0,0,0,0|1,0,0]=3 13766 B12R0.47 CCCCCNC(=O)NNCCC 273464a_100000209983_100000740057 [0,2,0,0,0,0|1,0,0]=3 13767 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000209983_100000740057 [0,2,0,0,0,0|1,0,0]=3 13768 B12R0.47 CCCCCNC(=O)NNCCC 512a_100000740057_100000209983 [0,2,0,0,0,0|1,0,0]=3 13769 B12R0.47 CCCCCNC(=O)NNCCO 273464a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 13770 B12R0.47 CCCCCNC(=O)NNCCO 512a_100000209983_100000210001 [0,2,0,0,0,0|2,0,0]=4 13771 B12R0.47 CCCCCOC(C)CCCCC 34a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 13772 B12R0.47 CCCCCOC(C)CCCCC 34a_100011215632_100000718602 [0,2,0,0,0,0|1,0,1]=4 13773 B12R0.47 CCCCCOC(C)CCCCC 7a_100000210253_200011218191 [0,2,0,0,0,0|1,0,1]=4 13774 B12R0.47 CCCCCOC(C)CCCCC 7a_100011215632_100000210326 [0,2,0,0,0,0|1,0,1]=4 13775 B12R0.47 CCCCNC(=O)CCCCCO 240690a_100000102301_100102619762 [0,2,0,0,0,0|1,0,0]=3 13776 B12R0.47 CCCCNC(=O)CCOCCO 1626a_100000102301_100011229844 [0,2,0,0,0,0|2,0,0]=4 13777 B12R0.47 CCCCNC(=O)CCOCCO 240690a_100000102301_100011229844 [0,2,0,0,0,0|2,0,0]=4 13778 B12R0.47 CCCCNC(=O)CNCCCF 2230a_100015189416_100000182744 [0,2,0,0,0,0|2,0,0]=4 13779 B12R0.47 CCCCNC(=O)CNCCCF 34a_100015189416_100000182744 [0,2,0,0,0,0|2,0,0]=4 13780 B12R0.47 CCCCNC(=O)CNCCOC 2230a_100000209980_100000182744 [0,2,0,0,0,0|2,0,0]=4 13781 B12R0.47 CCCCNC(=O)CNCCSC 2230a_100020590264_100000182744 [0,2,0,0,0,0|2,0,0]=4 13782 B12R0.47 CCCCNC(=O)COCCCBr 34a_100011217188_100000182744 [0,2,0,0,0,0|1,0,0]=3 13783 B12R0.47 CCCCNC(=O)COCCCC 11a_100000102301_100000757543 [0,2,0,0,0,0|1,0,0]=3 13784 B12R0.47 CCCCNC(=O)COCCCC 1626a_100000102301_100000757543 [0,2,0,0,0,0|1,0,0]=3 13785 B12R0.47 CCCCNC(=O)COCCCC 240690a_100000102301_100000757543 [0,2,0,0,0,0|1,0,0]=3 13786 B12R0.47 CCCCNC(=O)COCCCC 34a_100000210227_100000182744 [0,2,0,0,0,0|1,0,0]=3 13787 B12R0.47 CCCCNC(=O)COCCCC 527a_100000102301_100000757543 [0,2,0,0,0,0|1,0,0]=3 13788 B12R0.47 CCCCNC(=O)COCCCC 7a_100000210227_100000182744 [0,2,0,0,0,0|1,0,0]=3 13789 B12R0.47 CCCCNC(=O)COCCCCl 34a_100000230001_100000182744 [0,2,0,0,0,0|1,0,0]=3 13790 B12R0.47 CCCCNC(=O)COCCCF 34a_100000759539_100000182744 [0,2,0,0,0,0|1,0,0]=3 13791 B12R0.47 CCCCNC(=O)COCCCN 34a_100000182051_100000182744 [0,2,0,0,0,0|1,0,0]=3 13792 B12R0.47 CCCCNC(=O)COCCOC 11a_100000102301_100000211095 [0,2,0,0,0,0|1,0,0]=3 13793 B12R0.47 CCCCNC(=O)COCCOC 1626a_100000102301_100000211095 [0,2,0,0,0,0|1,0,0]=3 13794 B12R0.47 CCCCNC(=O)COCCOC 240690a_100000102301_100000211095 [0,2,0,0,0,0|1,0,0]=3 13795 B12R0.47 CCCCNC(=O)COCCOC 34a_100000210237_100000182744 [0,2,0,0,0,0|1,0,0]=3 13796 B12R0.47 CCCCNC(=O)COCCOC 527a_100000102301_100000211095 [0,2,0,0,0,0|1,0,0]=3 13797 B12R0.47 CCCCNC(=O)COCCON 34a_100000700252_100000182744 [0,2,0,0,0,0|2,0,0]=4 13798 B12R0.47 CCCCNC(=O)COCCSC 34a_100000230434_100000182744 [0,2,0,0,0,0|1,0,0]=3 13799 B12R0.47 CCCCNC(=O)COCCSC 7a_100000230434_100000182744 [0,2,0,0,0,0|1,0,0]=3 13800 B12R0.47 CCCCNC(=O)CSCCCC 11a_100000102301_100000191162 [0,2,0,0,0,0|1,0,0]=3 13801 B12R0.47 CCCCNC(=O)CSCCCC 1626a_100000102301_100000191162 [0,2,0,0,0,0|1,0,0]=3 13802 B12R0.47 CCCCNC(=O)CSCCCC 240690a_100000102301_100000191162 [0,2,0,0,0,0|1,0,0]=3 13803 B12R0.47 CCCCNC(=O)CSCCCC 527a_100000102301_100000191162 [0,2,0,0,0,0|1,0,0]=3 13804 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000182744_100000210210 [0,2,0,0,0,0|1,0,0]=3 13805 B12R0.47 CCCCNC(=O)CSCCCC 62a_100000210211_100000182744 [0,2,0,0,0,0|1,0,0]=3 13806 B12R0.47 CCCCNC(=O)CSCCCF 62a_100000182744_100011934791 [0,2,0,0,0,0|1,1,0]=4 13807 B12R0.47 CCCCNC(=O)CSCCCF 62a_100011934791_100000182744 [0,2,0,0,0,0|1,1,0]=4 13808 B12R0.47 CCCCNC(=O)CSCCCO 62a_100000182744_100011215043 [0,2,0,0,0,0|1,1,0]=4 13809 B12R0.47 CCCCNC(=O)CSCCCO 62a_100011215043_100000182744 [0,2,0,0,0,0|1,1,0]=4 13810 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000182744_100000233755 [0,2,0,0,0,0|1,1,0]=4 13811 B12R0.47 CCCCNC(=O)CSCCOC 62a_100000233755_100000182744 [0,2,0,0,0,0|1,1,0]=4 13812 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000182744_100000751147 [0,2,0,0,0,0|1,1,0]=4 13813 B12R0.47 CCCCNC(=O)CSCCSC 62a_100000212216_100000182744 [0,2,0,0,0,0|1,1,0]=4 13814 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000182744_100000739092 [0,2,0,0,0,0|1,1,0]=4 13815 B12R0.47 CCCCNC(=O)CSCOCC 62a_100000739092_100000182744 [0,2,0,0,0,0|1,1,0]=4 13816 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13817 B12R0.47 CCCCNC(=O)NCCCCO 2708a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13818 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13819 B12R0.47 CCCCNC(=O)NCCCCO 273464a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13820 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000102301_100000750430 [0,2,0,0,0,0|2,0,0]=4 13821 B12R0.47 CCCCNC(=O)NCCCCO 512a_100000750430_100000102301 [0,2,0,0,0,0|2,0,0]=4 13822 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13823 B12R0.47 CCCCNC(=O)NCCCOC 2708a_100150723488_100000102301 [0,2,0,0,0,0|2,0,0]=4 13824 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13825 B12R0.47 CCCCNC(=O)NCCCOC 273464a_100150723488_100000102301 [0,2,0,0,0,0|2,0,0]=4 13826 B12R0.47 CCCCNC(=O)NCCCOC 512a_100000102301_100150723488 [0,2,0,0,0,0|2,0,0]=4 13827 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13828 B12R0.47 CCCCNC(=O)NCCCSC 2708a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13829 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13830 B12R0.47 CCCCNC(=O)NCCCSC 273464a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13831 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000102301_100000749238 [0,2,0,0,0,0|2,0,0]=4 13832 B12R0.47 CCCCNC(=O)NCCCSC 512a_100000749238_100000102301 [0,2,0,0,0,0|2,0,0]=4 13833 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100000102301_100011200944 [0,2,0,0,0,0|2,0,0]=4 13834 B12R0.47 CCCCNC(=O)NCCOCC 2708a_100011200944_100000102301 [0,2,0,0,0,0|2,0,0]=4 13835 B12R0.47 CCCCNC(=O)NCCOCC 273464a_100000102301_102516460346 [0,2,0,0,0,0|2,0,0]=4 13836 B12R0.47 CCCCNC(=O)NCCOCC 273464a_102516460346_100000102301 [0,2,0,0,0,0|2,0,0]=4 13837 B12R0.47 CCCCNC(=O)NCCOCC 512a_100000102301_100011200944 [0,2,0,0,0,0|2,0,0]=4 13838 B12R0.47 CCCCNC(=O)NCCOCC 512a_100011200944_100000102301 [0,2,0,0,0,0|2,0,0]=4 13839 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13840 B12R0.47 CCCCNC(=O)NCCSCC 2708a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13841 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13842 B12R0.47 CCCCNC(=O)NCCSCC 273464a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13843 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000102301_100000106463 [0,2,0,0,0,0|2,0,0]=4 13844 B12R0.47 CCCCNC(=O)NCCSCC 512a_100000106463_100000102301 [0,2,0,0,0,0|2,0,0]=4 13845 B12R0.47 CCCCNC(=O)NNCCOC 273464a_100000102301_100000741390 [0,2,0,0,0,0|2,0,0]=4 13846 B12R0.47 CCCCNCC(=O)NCCCC 2230a_100000102301_100000182744 [0,2,0,0,0,0|1,0,0]=3 13847 B12R0.47 CCCCNCC(=O)NCCCC 7a_106832991798_100000182744 [0,2,0,0,0,0|1,0,0]=3 13848 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000102301_100000183275 [0,2,0,0,0,0|1,0,0]=3 13849 B12R0.47 CCCCNCC(=O)NCCOC 2230a_100000754632_100000210211 [0,2,0,0,0,0|1,0,0]=3 13850 B12R0.47 CCCCNCC(=O)NCCOC 7a_106832991798_100000183275 [0,2,0,0,0,0|1,0,0]=3 13851 B12R0.47 CCCCNCC(=O)OCCCC 2230a_100000102301_100000211628 [0,2,0,0,0,0|0,0,0]=2 13852 B12R0.47 CCCCNCC(=O)OCCCC 7a_106832991798_100000211628 [0,2,0,0,0,0|0,0,0]=2 13853 B12R0.47 CCCCNCC(=O)OCCOC 2230a_100000102301_200000040189 [0,2,0,0,0,0|0,0,0]=2 13854 B12R0.47 CCCCNCC(=O)OCCOC 7a_106832991798_200000040189 [0,2,0,0,0,0|0,0,0]=2 13855 B12R0.47 CCCCNNC(=O)CCCOC 22a_100025702795_100000741012 [0,2,0,0,0,0|2,0,0]=4 13856 B12R0.47 CCCCNNC(=O)CCCSC 22a_100025702795_100000173376 [0,2,0,0,0,0|2,0,0]=4 13857 B12R0.47 CCCCNNC(=O)CCOCC 22a_100025702795_100000749530 [0,2,0,0,0,0|2,0,0]=4 13858 B12R0.47 CCCCNNC(=O)CCSCC 22a_100025702795_100000230768 [0,2,0,0,0,0|2,0,0]=4 13859 B12R0.47 CCCCNNC(=O)COCCC 22a_100025702795_100000745993 [0,2,0,0,0,0|1,0,0]=3 13860 B12R0.47 CCCCNNC(=O)CSCCC 22a_100025702795_100000217233 [0,2,0,0,0,0|1,1,0]=4 13861 B12R0.47 CCCCNNC(=O)NCCCC 273464a_100000102301_100025702795 [0,2,0,0,0,0|2,0,0]=4 13862 B12R0.47 CCCCNNC(=O)NCCCC 512a_100000102301_100025702795 [0,2,0,0,0,0|2,0,0]=4 13863 B12R0.47 CCCCNNC(=O)NCCCC 512a_100025702795_100000102301 [0,2,0,0,0,0|2,0,0]=4 13864 B12R0.47 CCCCNNC(=O)NCCCF 273464a_100015189416_100025702795 [0,2,0,0,0,0|2,0,0]=4 13865 B12R0.47 CCCCNNC(=O)NCCCF 512a_100015189416_100025702795 [0,2,0,0,0,0|2,0,0]=4 13866 B12R0.47 CCCCNNC(=O)NCCCF 512a_100025702795_100015189416 [0,2,0,0,0,0|2,0,0]=4 13867 B12R0.47 CCCCNNC(=O)NCCCO 273464a_100000182051_100025702795 [0,2,0,0,0,0|2,0,0]=4 13868 B12R0.47 CCCCNNC(=O)NCCCO 512a_100025702795_100000182051 [0,2,0,0,0,0|2,0,0]=4 13869 B12R0.47 CCCCNNC(=O)NCCOC 273464a_100000209980_100025702795 [0,2,0,0,0,0|2,0,0]=4 13870 B12R0.47 CCCCNNC(=O)NCCSC 273464a_100020590264_100025702795 [0,2,0,0,0,0|2,0,0]=4 13871 B12R0.47 CCCCNNC(=O)NCCSC 512a_100020590264_100025702795 [0,2,0,0,0,0|2,0,0]=4 13872 B12R0.47 CCCCNNC(=O)NCCSC 512a_100025702795_100020590264 [0,2,0,0,0,0|2,0,0]=4 13873 B12R0.47 CCCCNNC(=O)NNCCC 512a_100000740057_100025702795 [0,2,0,0,0,0|2,0,0]=4 13874 B12R0.47 CCCCNNC(=O)NNCCC 512a_100025702795_100000740057 [0,2,0,0,0,0|2,0,0]=4 13875 B12R0.47 CCCCOC(=O)CNCCCF 2230a_100015189416_100000211628 [0,2,0,0,0,0|1,0,0]=3 13876 B12R0.47 CCCCOC(=O)CNCCCF 34a_100015189416_100000211628 [0,2,0,0,0,0|1,0,0]=3 13877 B12R0.47 CCCCOC(=O)CNCCOC 2230a_100000209980_100000211628 [0,2,0,0,0,0|1,0,0]=3 13878 B12R0.47 CCCCOC(=O)CNCCSC 2230a_100020590264_100000211628 [0,2,0,0,0,0|1,0,0]=3 13879 B12R0.47 CCCCOC(=O)COCCCBr 34a_100011217188_100000211628 [0,2,0,0,0,0|1,0,0]=3 13880 B12R0.47 CCCCOC(=O)COCCCCl 34a_100000230001_100000211628 [0,2,0,0,0,0|1,0,0]=3 13881 B12R0.47 CCCCOC(=O)COCCCF 34a_100000759539_100000211628 [0,2,0,0,0,0|1,0,0]=3 13882 B12R0.47 CCCCOC(=O)COCCCN 34a_100000182051_100000211628 [0,2,0,0,0,0|1,0,0]=3 13883 B12R0.47 CCCCOC(=O)COCCOC 34a_100000210237_100000211628 [0,2,0,0,0,0|1,0,0]=3 13884 B12R0.47 CCCCOC(=O)COCCON 34a_100000700252_100000211628 [0,2,0,0,0,0|2,0,0]=4 13885 B12R0.47 CCCCOC(=O)COCCSC 34a_100000230434_100000211628 [0,2,0,0,0,0|1,0,0]=3 13886 B12R0.47 CCCCOC(=O)COCCSC 7a_100000230434_100000211628 [0,2,0,0,0,0|1,0,0]=3 13887 B12R0.47 CCCCOC(=O)CSCCC#N 62a_100000211628_100011215226 [0,2,0,0,0,0|1,0,1]=4 13888 B12R0.47 CCCCOC(=O)CSCCC#N 62a_100011215226_100000211628 [0,2,0,0,0,0|1,0,1]=4 13889 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000210211_100000211628 [0,2,0,0,0,0|0,0,0]=2 13890 B12R0.47 CCCCOC(=O)CSCCCC 62a_100000211628_100000210210 [0,2,0,0,0,0|0,0,0]=2 13891 B12R0.47 CCCCOC(=O)CSCCCF 62a_100000211628_100011934791 [0,2,0,0,0,0|1,0,0]=3 13892 B12R0.47 CCCCOC(=O)CSCCCF 62a_100011934791_100000211628 [0,2,0,0,0,0|1,0,0]=3 13893 B12R0.47 CCCCOC(=O)CSCCCO 62a_100000211628_100011215043 [0,2,0,0,0,0|1,0,0]=3 13894 B12R0.47 CCCCOC(=O)CSCCCO 62a_100011215043_100000211628 [0,2,0,0,0,0|1,0,0]=3 13895 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000211628_100000233755 [0,2,0,0,0,0|1,0,0]=3 13896 B12R0.47 CCCCOC(=O)CSCCOC 62a_100000233755_100000211628 [0,2,0,0,0,0|1,0,0]=3 13897 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000211628_100000751147 [0,2,0,0,0,0|1,0,0]=3 13898 B12R0.47 CCCCOC(=O)CSCCSC 62a_100000212216_100000211628 [0,2,0,0,0,0|1,0,0]=3 13899 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000211628_100000739092 [0,2,0,0,0,0|1,0,0]=3 13900 B12R0.47 CCCCOC(=O)CSCOCC 62a_100000739092_100000211628 [0,2,0,0,0,0|1,0,0]=3 13901 B12R0.47 CCCCOCC(=O)C=CCOC 1458a_100016285016_100011995733 [0,2,0,0,0,0|1,0,1]=4 13902 B12R0.47 CCCCOCC(=O)C=COCC 1458a_100016266692_100011995733 [0,2,0,0,0,0|1,0,1]=4 13903 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000075515_100011995733 [0,2,0,0,0,0|1,0,1]=4 13904 B12R0.47 CCCCOCC(=O)CCCC#N 1458a_100000757543_100000211468 [0,2,0,0,0,0|1,0,1]=4 13905 B12R0.47 CCCCOCC(=O)CCCCF 1458a_100000757543_100000729493 [0,2,0,0,0,0|1,0,0]=3 13906 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000695505_100011995733 [0,2,0,0,0,0|1,0,0]=3 13907 B12R0.47 CCCCOCC(=O)CCCCO 1458a_100000757543_100000210776 [0,2,0,0,0,0|1,0,0]=3 13908 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000741012_100011995733 [0,2,0,0,0,0|1,0,0]=3 13909 B12R0.47 CCCCOCC(=O)CCCOC 1458a_100000757543_100000740836 [0,2,0,0,0,0|1,0,0]=3 13910 B12R0.47 CCCCOCC(=O)CCCSC 1458a_100000173376_100011995733 [0,2,0,0,0,0|1,0,0]=3 13911 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000749530_100011995733 [0,2,0,0,0,0|1,0,0]=3 13912 B12R0.47 CCCCOCC(=O)CCOCC 1458a_100000757543_100011215890 [0,2,0,0,0,0|1,0,0]=3 13913 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000230768_100011995733 [0,2,0,0,0,0|1,0,0]=3 13914 B12R0.47 CCCCOCC(=O)CCSCC 1458a_100000757543_100000757381 [0,2,0,0,0,0|1,0,0]=3 13915 B12R0.47 CCCCOCC(=O)COCCC 1458a_100000745993_100011995733 [0,2,0,0,0,0|0,0,0]=2 13916 B12R0.47 CCCCOCC(=O)COCCO 1458a_100000708028_100011995733 [0,2,0,0,0,0|1,0,0]=3 13917 B12R0.47 CCCCOCC(=O)CSCCC 1458a_100000217233_100011995733 [0,2,0,0,0,0|0,1,0]=3 13918 B12R0.47 CCCCOCC(=O)NCCC#N 11a_100000720768_100000757543 [0,2,0,0,0,0|1,0,1]=4 13919 B12R0.47 CCCCOCC(=O)NCCC#N 1626a_100000720768_100000757543 [0,2,0,0,0,0|1,0,1]=4 13920 B12R0.47 CCCCOCC(=O)NCCC#N 240690a_100000720768_100000757543 [0,2,0,0,0,0|1,0,1]=4 13921 B12R0.47 CCCCOCC(=O)NCCC#N 527a_100000720768_100000757543 [0,2,0,0,0,0|1,0,1]=4 13922 B12R0.47 CCCCOCC(=O)NCCCF 11a_100015189416_100000757543 [0,2,0,0,0,0|1,0,0]=3 13923 B12R0.47 CCCCOCC(=O)NCCCF 1626a_100015189416_100000757543 [0,2,0,0,0,0|1,0,0]=3 13924 B12R0.47 CCCCOCC(=O)NCCCF 240690a_100015189416_100000757543 [0,2,0,0,0,0|1,0,0]=3 13925 B12R0.47 CCCCOCC(=O)NCCCF 527a_100015189416_100000757543 [0,2,0,0,0,0|1,0,0]=3 13926 B12R0.47 CCCCOCC(=O)NCCCO 240690a_100000182051_100000757543 [0,2,0,0,0,0|1,0,0]=3 13927 B12R0.47 CCCCOCC(=O)NCCCO 527a_100000182051_100000757543 [0,2,0,0,0,0|1,0,0]=3 13928 B12R0.47 CCCCOCC(=O)NCCOC 1626a_100000209980_100000757543 [0,2,0,0,0,0|1,0,0]=3 13929 B12R0.47 CCCCOCC(=O)NCCOC 240690a_100000209980_100000757543 [0,2,0,0,0,0|1,0,0]=3 13930 B12R0.47 CCCCOCC(=O)NCCOC 34a_100000210227_100000183275 [0,2,0,0,0,0|1,0,0]=3 13931 B12R0.47 CCCCOCC(=O)NCCOC 527a_100000209980_100000757543 [0,2,0,0,0,0|1,0,0]=3 13932 B12R0.47 CCCCOCC(=O)NCCOC 7a_100000210227_100000183275 [0,2,0,0,0,0|1,0,0]=3 13933 B12R0.47 CCCCOCC(=O)NCCSC 11a_100020590264_100000757543 [0,2,0,0,0,0|1,0,0]=3 13934 B12R0.47 CCCCOCC(=O)NCCSC 1626a_100020590264_100000757543 [0,2,0,0,0,0|1,0,0]=3 13935 B12R0.47 CCCCOCC(=O)NCCSC 240690a_100020590264_100000757543 [0,2,0,0,0,0|1,0,0]=3 13936 B12R0.47 CCCCOCC(=O)NCCSC 527a_100020590264_100000757543 [0,2,0,0,0,0|1,0,0]=3 13937 B12R0.47 CCCCOCC(=O)NNCCC 22a_100000740057_100000757543 [0,2,0,0,0,0|1,0,0]=3 13938 B12R0.47 CCCCOCC(=O)NNCCO 22a_100000210001_100000757543 [0,2,0,0,0,0|2,0,0]=4 13939 B12R0.47 CCCCOCC(=O)OCCCC 34a_100000210227_100000211628 [0,2,0,0,0,0|0,0,0]=2 13940 B12R0.47 CCCCOCC(=O)OCCCC 7a_100000210227_100000211628 [0,2,0,0,0,0|0,0,0]=2 13941 B12R0.47 CCCCOCC(=O)OCCOC 34a_100000210227_200000040189 [0,2,0,0,0,0|0,0,0]=2 13942 B12R0.47 CCCCOCC(=O)OCCOC 7a_100000210227_200000040189 [0,2,0,0,0,0|0,0,0]=2 13943 B12R0.47 CCCCOCC(C)OCCCC 34a_100011217071_100000210210 [0,2,0,0,0,0|1,0,1]=4 13944 B12R0.47 CCCCOCC(C)OCCCC 7a_100011217071_100000210211 [0,2,0,0,0,0|1,0,1]=4 13945 B12R0.47 CCCCOCC(C)OCCCF 34a_100011217071_100011934791 [0,2,0,0,0,0|1,0,1]=4 13946 B12R0.47 CCCCOCC(C)OCCCF 7a_100011217071_100011934791 [0,2,0,0,0,0|1,0,1]=4 13947 B12R0.47 CCCCOCC(C)OCCCO 34a_100011217071_100000230001 [0,2,0,0,0,0|1,0,1]=4 13948 B12R0.47 CCCCOCC(C)OCCCO 7a_100011217071_100011215043 [0,2,0,0,0,0|1,0,1]=4 13949 B12R0.47 CCCCOCC(C)OCCOC 34a_100011217071_100011201679 [0,2,0,0,0,0|1,0,1]=4 13950 B12R0.47 CCCCOCC(C)OCCOC 7a_100011217071_100000233755 [0,2,0,0,0,0|1,0,1]=4 13951 B12R0.47 CCCCOCC(C)OCCSC 34a_100011217071_100000212216 [0,2,0,0,0,0|1,0,1]=4 13952 B12R0.47 CCCCOCC(C)OCCSC 7a_100011217071_100000212216 [0,2,0,0,0,0|1,0,1]=4 13953 B12R0.47 CCCCSCC(=O)CCCC#N 1458a_100000191162_100000211468 [0,2,0,0,0,0|1,0,1]=4 13954 B12R0.47 CCCCSCC(=O)CCCCF 1458a_100000191162_100000729493 [0,2,0,0,0,0|1,0,0]=3 13955 B12R0.47 CCCCSCC(=O)CCCCO 1458a_100000191162_100000210776 [0,2,0,0,0,0|1,0,0]=3 13956 B12R0.47 CCCCSCC(=O)CCCOC 1458a_100000191162_100000740836 [0,2,0,0,0,0|1,0,0]=3 13957 B12R0.47 CCCCSCC(=O)CCOCC 1458a_100000191162_100011215890 [0,2,0,0,0,0|1,0,0]=3 13958 B12R0.47 CCCCSCC(=O)CCSCC 1458a_100000191162_100000757381 [0,2,0,0,0,0|1,0,0]=3 13959 B12R0.47 CCCCSCC(=O)NCCC#N 11a_100000720768_100000191162 [0,2,0,0,0,0|1,0,1]=4 13960 B12R0.47 CCCCSCC(=O)NCCC#N 1626a_100000720768_100000191162 [0,2,0,0,0,0|1,0,1]=4 13961 B12R0.47 CCCCSCC(=O)NCCC#N 240690a_100000720768_100000191162 [0,2,0,0,0,0|1,0,1]=4 13962 B12R0.47 CCCCSCC(=O)NCCC#N 527a_100000720768_100000191162 [0,2,0,0,0,0|1,0,1]=4 13963 B12R0.47 CCCCSCC(=O)NCCCF 11a_100015189416_100000191162 [0,2,0,0,0,0|1,0,0]=3 13964 B12R0.47 CCCCSCC(=O)NCCCF 1626a_100015189416_100000191162 [0,2,0,0,0,0|1,0,0]=3 13965 B12R0.47 CCCCSCC(=O)NCCCF 240690a_100015189416_100000191162 [0,2,0,0,0,0|1,0,0]=3 13966 B12R0.47 CCCCSCC(=O)NCCCF 527a_100015189416_100000191162 [0,2,0,0,0,0|1,0,0]=3 13967 B12R0.47 CCCCSCC(=O)NCCCO 240690a_100000182051_100000191162 [0,2,0,0,0,0|1,0,0]=3 13968 B12R0.47 CCCCSCC(=O)NCCCO 527a_100000182051_100000191162 [0,2,0,0,0,0|1,0,0]=3 13969 B12R0.47 CCCCSCC(=O)NCCOC 1626a_100000209980_100000191162 [0,2,0,0,0,0|1,0,0]=3 13970 B12R0.47 CCCCSCC(=O)NCCOC 240690a_100000209980_100000191162 [0,2,0,0,0,0|1,0,0]=3 13971 B12R0.47 CCCCSCC(=O)NCCOC 527a_100000209980_100000191162 [0,2,0,0,0,0|1,0,0]=3 13972 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000183275_100000210210 [0,2,0,0,0,0|1,0,0]=3 13973 B12R0.47 CCCCSCC(=O)NCCOC 62a_100000210211_100000183275 [0,2,0,0,0,0|1,0,0]=3 13974 B12R0.47 CCCCSCC(=O)NCCSC 11a_100020590264_100000191162 [0,2,0,0,0,0|1,0,0]=3 13975 B12R0.47 CCCCSCC(=O)NCCSC 1626a_100020590264_100000191162 [0,2,0,0,0,0|1,0,0]=3 13976 B12R0.47 CCCCSCC(=O)NCCSC 240690a_100020590264_100000191162 [0,2,0,0,0,0|1,0,0]=3 13977 B12R0.47 CCCCSCC(=O)NCCSC 527a_100020590264_100000191162 [0,2,0,0,0,0|1,0,0]=3 13978 B12R0.47 CCCCSCC(=O)NNCCC 22a_100000740057_100000191162 [0,2,0,0,0,0|1,0,0]=3 13979 B12R0.47 CCCCSCC(=O)NNCCO 22a_100000210001_100000191162 [0,2,0,0,0,0|2,0,0]=4 13980 B12R0.47 CCCCSCC(=O)OCCOC 62a_100000210211_200000040189 [0,2,0,0,0,0|0,0,0]=2 13981 B12R0.47 CCCCSCC(=O)OCCOC 62a_200000040189_100000210210 [0,2,0,0,0,0|0,0,0]=2 13982 B12R0.47 CCCNNC(=O)CCCCCO 22a_100000740057_100102619762 [0,2,0,0,0,0|1,0,0]=3 13983 B12R0.47 CCCNNC(=O)CCOCCO 22a_100000740057_100011229844 [0,2,0,0,0,0|2,0,0]=4 13984 B12R0.47 CCCNNC(=O)COCCOC 22a_100000740057_100000211095 [0,2,0,0,0,0|2,0,0]=4 13985 B12R0.47 CCCNNC(=O)NCCCCO 273464a_100000750430_100000740057 [0,2,0,0,0,0|2,0,0]=4 13986 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000740057_100000750430 [0,2,0,0,0,0|2,0,0]=4 13987 B12R0.47 CCCNNC(=O)NCCCCO 512a_100000750430_100000740057 [0,2,0,0,0,0|2,0,0]=4 13988 B12R0.47 CCCNNC(=O)NCCCOC 273464a_100150723488_100000740057 [0,2,0,0,0,0|2,0,0]=4 13989 B12R0.47 CCCNNC(=O)NCCCOC 512a_100000740057_100150723488 [0,2,0,0,0,0|2,0,0]=4 13990 B12R0.47 CCCNNC(=O)NCCCSC 273464a_100000749238_100000740057 [0,2,0,0,0,0|2,0,0]=4 13991 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000740057_100000749238 [0,2,0,0,0,0|2,0,0]=4 13992 B12R0.47 CCCNNC(=O)NCCCSC 512a_100000749238_100000740057 [0,2,0,0,0,0|2,0,0]=4 13993 B12R0.47 CCCNNC(=O)NCCOCC 273464a_102516460346_100000740057 [0,2,0,0,0,0|2,0,0]=4 13994 B12R0.47 CCCNNC(=O)NCCOCC 512a_100000740057_100011200944 [0,2,0,0,0,0|2,0,0]=4 13995 B12R0.47 CCCNNC(=O)NCCOCC 512a_100011200944_100000740057 [0,2,0,0,0,0|2,0,0]=4 13996 B12R0.47 CCCNNC(=O)NCCSCC 273464a_100000106463_100000740057 [0,2,0,0,0,0|2,0,0]=4 13997 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000106463_100000740057 [0,2,0,0,0,0|2,0,0]=4 13998 B12R0.47 CCCNNC(=O)NCCSCC 512a_100000740057_100000106463 [0,2,0,0,0,0|2,0,0]=4 13999 B12R0.47 CCCOCC(=O)CCCCC#N 1458a_100000745993_100000211819 [0,2,0,0,0,0|0,0,1]=3 14000 B12R0.47 CCCOCC(=O)CCCCCF 1458a_100000745993_100000729378 [0,2,0,0,0,0|0,0,0]=2 14001 B12R0.47 CCCOCC(=O)CCCCCO 1458a_100000745993_100000746330 [0,2,0,0,0,0|0,0,0]=2 14002 B12R0.47 CCCOCC(=O)CCCCOC 1458a_100000745993_100000755781 [0,2,0,0,0,0|0,0,0]=2 14003 B12R0.47 CCCOCC(=O)CCCOCC 1458a_100000745993_100012232248 [0,2,0,0,0,0|0,0,0]=2 14004 B12R0.47 CCCOCC(=O)CCOCC#N 1458a_100000745993_200000047693 [0,2,0,0,0,0|1,0,1]=4 14005 B12R0.47 CCCOCC(=O)CCOCCO 1458a_100000745993_100011215305 [0,2,0,0,0,0|1,0,0]=3 14006 B12R0.47 CCCOCC(=O)NCCCCO 240690a_100000750430_100000745993 [0,2,0,0,0,0|1,0,0]=3 14007 B12R0.47 CCCOCC(=O)NCCCCO 527a_100000750430_100000745993 [0,2,0,0,0,0|1,0,0]=3 14008 B12R0.47 CCCOCC(=O)NCCCOC 1626a_100150723488_100000745993 [0,2,0,0,0,0|1,0,0]=3 14009 B12R0.47 CCCOCC(=O)NCCCOC 240690a_100150723488_100000745993 [0,2,0,0,0,0|1,0,0]=3 14010 B12R0.47 CCCOCC(=O)NCCCOC 34a_100000210258_100000183178 [0,2,0,0,0,0|1,0,0]=3 14011 B12R0.47 CCCOCC(=O)NCCCOC 527a_100150723488_100000745993 [0,2,0,0,0,0|1,0,0]=3 14012 B12R0.47 CCCOCC(=O)NCCCSC 11a_100000749238_100000745993 [0,2,0,0,0,0|1,0,0]=3 14013 B12R0.47 CCCOCC(=O)NCCCSC 1626a_100000749238_100000745993 [0,2,0,0,0,0|1,0,0]=3 14014 B12R0.47 CCCOCC(=O)NCCCSC 240690a_100000749238_100000745993 [0,2,0,0,0,0|1,0,0]=3 14015 B12R0.47 CCCOCC(=O)NCCCSC 527a_100000749238_100000745993 [0,2,0,0,0,0|1,0,0]=3 14016 B12R0.47 CCCOCC(=O)NCCOCC 11a_100011200944_100000745993 [0,2,0,0,0,0|1,0,0]=3 14017 B12R0.47 CCCOCC(=O)NCCOCC 1626a_102516460346_100000745993 [0,2,0,0,0,0|1,0,0]=3 14018 B12R0.47 CCCOCC(=O)NCCOCC 240690a_100011200944_100000745993 [0,2,0,0,0,0|1,0,0]=3 14019 B12R0.47 CCCOCC(=O)NCCOCC 527a_100011200944_100000745993 [0,2,0,0,0,0|1,0,0]=3 14020 B12R0.47 CCCOCC(=O)NCCSCC 11a_100000106463_100000745993 [0,2,0,0,0,0|1,0,0]=3 14021 B12R0.47 CCCOCC(=O)NCCSCC 1626a_100000106463_100000745993 [0,2,0,0,0,0|1,0,0]=3 14022 B12R0.47 CCCOCC(=O)NCCSCC 240690a_100000106463_100000745993 [0,2,0,0,0,0|1,0,0]=3 14023 B12R0.47 CCCOCC(=O)NCCSCC 527a_100000106463_100000745993 [0,2,0,0,0,0|1,0,0]=3 14024 B12R0.47 CCCOCC(=O)NNCCOC 22a_100000741390_100000745993 [0,2,0,0,0,0|2,0,0]=4 14025 B12R0.47 CCCOCC(=O)OCCOCC 34a_100000210258_200000101388 [0,2,0,0,0,0|1,0,0]=3 14026 B12R0.47 CCCOCCC(=O)C=CCOC 1458a_100016285016_100011215938 [0,2,0,0,0,0|1,0,1]=4 14027 B12R0.47 CCCOCCC(=O)C=COCC 1458a_100016266692_100011215938 [0,2,0,0,0,0|1,0,1]=4 14028 B12R0.47 CCCOCCC(=O)CCCC#N 1458a_100000075515_100011215938 [0,2,0,0,0,0|1,0,1]=4 14029 B12R0.47 CCCOCCC(=O)CCCCO 1458a_100000695505_100011215938 [0,2,0,0,0,0|1,0,0]=3 14030 B12R0.47 CCCOCCC(=O)CCCOC 1458a_100000741012_100011215938 [0,2,0,0,0,0|1,0,0]=3 14031 B12R0.47 CCCOCCC(=O)CCCSC 1458a_100000173376_100011215938 [0,2,0,0,0,0|1,0,0]=3 14032 B12R0.47 CCCOCCC(=O)CCOCC 1458a_100000749530_100011215938 [0,2,0,0,0,0|1,0,0]=3 14033 B12R0.47 CCCOCCC(=O)CCSCC 1458a_100000230768_100011215938 [0,2,0,0,0,0|1,0,0]=3 14034 B12R0.47 CCCOCCC(=O)COCCC 1458a_100000745993_100011215938 [0,2,0,0,0,0|0,0,0]=2 14035 B12R0.47 CCCOCCC(=O)COCCO 1458a_100000708028_100011215938 [0,2,0,0,0,0|1,0,0]=3 14036 B12R0.47 CCCOCCC(=O)CSCCC 1458a_100000217233_100011215938 [0,2,0,0,0,0|0,1,0]=3 14037 B12R0.47 CCCSCC(=O)CCCCC#N 1458a_100000217233_100000211819 [0,2,0,0,0,0|0,1,1]=4 14038 B12R0.47 CCCSCC(=O)CCCCCF 1458a_100000217233_100000729378 [0,2,0,0,0,0|0,1,0]=3 14039 B12R0.47 CCCSCC(=O)CCCCCO 1458a_100000217233_100000746330 [0,2,0,0,0,0|0,1,0]=3 14040 B12R0.47 CCCSCC(=O)CCCCOC 1458a_100000217233_100000755781 [0,2,0,0,0,0|0,1,0]=3 14041 B12R0.47 CCCSCC(=O)CCCOCC 1458a_100000217233_100012232248 [0,2,0,0,0,0|0,1,0]=3 14042 B12R0.47 CCCSCC(=O)CCOCCO 1458a_100000217233_100011215305 [0,2,0,0,0,0|1,1,0]=4 14043 B12R0.47 CCCSCC(=O)NCCCCO 240690a_100000750430_100000217233 [0,2,0,0,0,0|1,1,0]=4 14044 B12R0.47 CCCSCC(=O)NCCCCO 527a_100000750430_100000217233 [0,2,0,0,0,0|1,1,0]=4 14045 B12R0.47 CCCSCC(=O)NCCCOC 1626a_100150723488_100000217233 [0,2,0,0,0,0|1,1,0]=4 14046 B12R0.47 CCCSCC(=O)NCCCOC 240690a_100150723488_100000217233 [0,2,0,0,0,0|1,1,0]=4 14047 B12R0.47 CCCSCC(=O)NCCCOC 527a_100150723488_100000217233 [0,2,0,0,0,0|1,1,0]=4 14048 B12R0.47 CCCSCC(=O)NCCCOC 62a_100000183178_100000210303 [0,2,0,0,0,0|1,1,0]=4 14049 B12R0.47 CCCSCC(=O)NCCCSC 11a_100000749238_100000217233 [0,2,0,0,0,0|1,1,0]=4 14050 B12R0.47 CCCSCC(=O)NCCCSC 1626a_100000749238_100000217233 [0,2,0,0,0,0|1,1,0]=4 14051 B12R0.47 CCCSCC(=O)NCCCSC 240690a_100000749238_100000217233 [0,2,0,0,0,0|1,1,0]=4 14052 B12R0.47 CCCSCC(=O)NCCCSC 527a_100000749238_100000217233 [0,2,0,0,0,0|1,1,0]=4 14053 B12R0.47 CCCSCC(=O)NCCOCC 11a_100011200944_100000217233 [0,2,0,0,0,0|1,1,0]=4 14054 B12R0.47 CCCSCC(=O)NCCOCC 1626a_102516460346_100000217233 [0,2,0,0,0,0|1,1,0]=4 14055 B12R0.47 CCCSCC(=O)NCCOCC 240690a_100011200944_100000217233 [0,2,0,0,0,0|1,1,0]=4 14056 B12R0.47 CCCSCC(=O)NCCOCC 527a_100011200944_100000217233 [0,2,0,0,0,0|1,1,0]=4 14057 B12R0.47 CCCSCC(=O)NCCSCC 11a_100000106463_100000217233 [0,2,0,0,0,0|1,1,0]=4 14058 B12R0.47 CCCSCC(=O)NCCSCC 1626a_100000106463_100000217233 [0,2,0,0,0,0|1,1,0]=4 14059 B12R0.47 CCCSCC(=O)NCCSCC 240690a_100000106463_100000217233 [0,2,0,0,0,0|1,1,0]=4 14060 B12R0.47 CCCSCC(=O)NCCSCC 527a_100000106463_100000217233 [0,2,0,0,0,0|1,1,0]=4 14061 B12R0.47 CCCSCC(=O)NNCCOC 22a_100000741390_100000217233 [0,2,0,0,0,0|2,0,0]=4 14062 B12R0.47 CCCSCC(=O)OCCOCC 62a_100000210303_200000101388 [0,2,0,0,0,0|1,0,0]=3 14063 B12R0.47 CCCSCC(=O)OCCOCC 62a_200000101388_100000210303 [0,2,0,0,0,0|1,0,0]=3 14064 B12R0.47 CCOC=CC(=O)CCCCCF 1458a_100016266692_100000729378 [0,2,0,0,0,0|1,0,1]=4 14065 B12R0.47 CCOC=CC(=O)CCCCCO 1458a_100016266692_100000746330 [0,2,0,0,0,0|1,0,1]=4 14066 B12R0.47 CCOC=CC(=O)CCCCOC 1458a_100016266692_100000755781 [0,2,0,0,0,0|1,0,1]=4 14067 B12R0.47 CCOC=CC(=O)CCCOCC 1458a_100016266692_100012232248 [0,2,0,0,0,0|1,0,1]=4 14068 B12R0.47 CCOCCC(=O)CCCCC#N 1458a_100000749530_100000211819 [0,2,0,0,0,0|1,0,1]=4 14069 B12R0.47 CCOCCC(=O)CCCCCF 1458a_100000749530_100000729378 [0,2,0,0,0,0|1,0,0]=3 14070 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100000749530_100000746330 [0,2,0,0,0,0|1,0,0]=3 14071 B12R0.47 CCOCCC(=O)CCCCCO 1458a_100102619762_100011215890 [0,2,0,0,0,0|1,0,0]=3 14072 B12R0.47 CCOCCC(=O)CCCCOC 1458a_100000749530_100000755781 [0,2,0,0,0,0|1,0,0]=3 14073 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100000749530_100011215305 [0,2,0,0,0,0|2,0,0]=4 14074 B12R0.47 CCOCCC(=O)CCOCCO 1458a_100011229844_100011215890 [0,2,0,0,0,0|2,0,0]=4 14075 B12R0.47 CCOCCC(=O)COCCOC 1458a_100000211095_100011215890 [0,2,0,0,0,0|1,0,0]=3 14076 B12R0.47 CCOCCC(=O)NCCCCO 240690a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14077 B12R0.47 CCOCCC(=O)NCCCCO 527a_100000750430_100000749530 [0,2,0,0,0,0|2,0,0]=4 14078 B12R0.47 CCOCCC(=O)NCCCOC 1626a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14079 B12R0.47 CCOCCC(=O)NCCCOC 240690a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14080 B12R0.47 CCOCCC(=O)NCCCOC 527a_100150723488_100000749530 [0,2,0,0,0,0|2,0,0]=4 14081 B12R0.47 CCOCCC(=O)NCCCSC 11a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14082 B12R0.47 CCOCCC(=O)NCCCSC 1626a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14083 B12R0.47 CCOCCC(=O)NCCCSC 240690a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14084 B12R0.47 CCOCCC(=O)NCCCSC 527a_100000749238_100000749530 [0,2,0,0,0,0|2,0,0]=4 14085 B12R0.47 CCOCCC(=O)NCCSCC 11a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14086 B12R0.47 CCOCCC(=O)NCCSCC 1626a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14087 B12R0.47 CCOCCC(=O)NCCSCC 240690a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14088 B12R0.47 CCOCCC(=O)NCCSCC 527a_100000106463_100000749530 [0,2,0,0,0,0|2,0,0]=4 14089 B12R0.47 CCOCCC(=O)NNCCOC 22a_100000741390_100000749530 [0,2,0,0,0,0|2,0,0]=4 14090 B12R0.47 CCOCCCC(=O)C=CCOC 1458a_100016285016_100012232248 [0,2,0,0,0,0|1,0,1]=4 14091 B12R0.47 CCOCCCC(=O)CCCC#N 1458a_100000075515_100012232248 [0,2,0,0,0,0|1,0,1]=4 14092 B12R0.47 CCOCCCC(=O)CCCCO 1458a_100000695505_100012232248 [0,2,0,0,0,0|1,0,0]=3 14093 B12R0.47 CCOCCCC(=O)CCCOC 1458a_100000741012_100012232248 [0,2,0,0,0,0|1,0,0]=3 14094 B12R0.47 CCOCCCC(=O)CCCSC 1458a_100000173376_100012232248 [0,2,0,0,0,0|1,0,0]=3 14095 B12R0.47 CCOCCCC(=O)CCOCC 1458a_100000749530_100012232248 [0,2,0,0,0,0|1,0,0]=3 14096 B12R0.47 CCOCCCC(=O)CCSCC 1458a_100000230768_100012232248 [0,2,0,0,0,0|1,0,0]=3 14097 B12R0.47 CCOCCCC(=O)COCCO 1458a_100000708028_100012232248 [0,2,0,0,0,0|1,0,0]=3 14098 B12R0.47 CCOCCNC(=O)CCCCO 1626a_102516460346_100000695505 [0,2,0,0,0,0|2,0,0]=4 14099 B12R0.47 CCOCCNC(=O)CCCOC 11a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14100 B12R0.47 CCOCCNC(=O)CCCOC 1626a_102516460346_100000741012 [0,2,0,0,0,0|2,0,0]=4 14101 B12R0.47 CCOCCNC(=O)CCCOC 240690a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14102 B12R0.47 CCOCCNC(=O)CCCOC 527a_100011200944_100000741012 [0,2,0,0,0,0|2,0,0]=4 14103 B12R0.47 CCOCCNC(=O)CCCSC 11a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14104 B12R0.47 CCOCCNC(=O)CCCSC 1626a_102516460346_100000173376 [0,2,0,0,0,0|2,0,0]=4 14105 B12R0.47 CCOCCNC(=O)CCCSC 240690a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14106 B12R0.47 CCOCCNC(=O)CCCSC 527a_100011200944_100000173376 [0,2,0,0,0,0|2,0,0]=4 14107 B12R0.47 CCOCCNC(=O)CCOCC 11a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14108 B12R0.47 CCOCCNC(=O)CCOCC 1626a_102516460346_100000749530 [0,2,0,0,0,0|2,0,0]=4 14109 B12R0.47 CCOCCNC(=O)CCOCC 240690a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14110 B12R0.47 CCOCCNC(=O)CCOCC 527a_100011200944_100000749530 [0,2,0,0,0,0|2,0,0]=4 14111 B12R0.47 CCOCCNC(=O)CCSCC 11a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14112 B12R0.47 CCOCCNC(=O)CCSCC 1626a_102516460346_100000230768 [0,2,0,0,0,0|2,0,0]=4 14113 B12R0.47 CCOCCNC(=O)CCSCC 240690a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14114 B12R0.47 CCOCCNC(=O)CCSCC 527a_100011200944_100000230768 [0,2,0,0,0,0|2,0,0]=4 14115 B12R0.47 CCOCCNC(=O)COCCO 1626a_102516460346_100000708028 [0,2,0,0,0,0|2,0,0]=4 14116 B12R0.47 CCOCCNC(=O)COCCO 240690a_100011200944_100000708028 [0,2,0,0,0,0|2,0,0]=4 14117 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100011200944_100015189416 [0,2,0,0,0,0|2,0,0]=4 14118 B12R0.47 CCOCCNC(=O)NCCCF 2708a_100015189416_100011200944 [0,2,0,0,0,0|2,0,0]=4 14119 B12R0.47 CCOCCNC(=O)NCCCF 273464a_100015189416_102516460346 [0,2,0,0,0,0|2,0,0]=4 14120 B12R0.47 CCOCCNC(=O)NCCCF 273464a_102516460346_100015189416 [0,2,0,0,0,0|2,0,0]=4 14121 B12R0.47 CCOCCNC(=O)NCCCF 512a_100011200944_100015189416 [0,2,0,0,0,0|2,0,0]=4 14122 B12R0.47 CCOCCNC(=O)NCCCF 512a_100015189416_100011200944 [0,2,0,0,0,0|2,0,0]=4 14123 B12R0.47 CCOCCNC(=O)NCCCO 2708a_100011200944_100000182051 [0,2,0,0,0,0|2,0,0]=4 14124 B12R0.47 CCOCCNC(=O)NCCCO 273464a_100000182051_102516460346 [0,2,0,0,0,0|2,0,0]=4 14125 B12R0.47 CCOCCNC(=O)NCCCO 273464a_102516460346_100000182051 [0,2,0,0,0,0|2,0,0]=4 14126 B12R0.47 CCOCCNC(=O)NCCCO 512a_100011200944_100000182051 [0,2,0,0,0,0|2,0,0]=4 14127 B12R0.47 CCOCCNC(=O)NCCOC 2708a_100011200944_100000209980 [0,2,0,0,0,0|2,0,0]=4 14128 B12R0.47 CCOCCNC(=O)NCCOC 273464a_100000209980_102516460346 [0,2,0,0,0,0|2,0,0]=4 14129 B12R0.47 CCOCCNC(=O)NCCOC 273464a_102516460346_100000209980 [0,2,0,0,0,0|2,0,0]=4 14130 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100011200944_100020590264 [0,2,0,0,0,0|2,0,0]=4 14131 B12R0.47 CCOCCNC(=O)NCCSC 2708a_100020590264_100011200944 [0,2,0,0,0,0|2,0,0]=4 14132 B12R0.47 CCOCCNC(=O)NCCSC 273464a_100020590264_102516460346 [0,2,0,0,0,0|2,0,0]=4 14133 B12R0.47 CCOCCNC(=O)NCCSC 273464a_102516460346_100020590264 [0,2,0,0,0,0|2,0,0]=4 14134 B12R0.47 CCOCCNC(=O)NCCSC 512a_100011200944_100020590264 [0,2,0,0,0,0|2,0,0]=4 14135 B12R0.47 CCOCCNC(=O)NCCSC 512a_100020590264_100011200944 [0,2,0,0,0,0|2,0,0]=4 14136 B12R0.47 CCOCCOC(=O)CNCCF 34a_100000724931_200000101388 [0,2,0,0,0,0|2,0,0]=4 14137 B12R0.47 CCOCCOC(=O)CNCCO 2230a_100016997473_200000101388 [0,2,0,0,0,0|2,0,0]=4 14138 B12R0.47 CCOCCOC(=O)CNCCO 34a_100016990907_200000101388 [0,2,0,0,0,0|2,0,0]=4 14139 B12R0.47 CCOCCOC(=O)COCCBr 34a_100000211926_200000101388 [0,2,0,0,0,0|2,0,0]=4 14140 B12R0.47 CCOCCOC(=O)COCCN 34a_100000210304_200000101388 [0,2,0,0,0,0|2,0,0]=4 14141 B12R0.47 CCOCCOC(=O)CSCCF 62a_100011217306_200000101388 [0,2,0,0,0,0|2,0,0]=4 14142 B12R0.47 CCOCCOC(=O)CSCCF 62a_200000101388_100011217306 [0,2,0,0,0,0|2,0,0]=4 14143 B12R0.47 CCOCCOC(=O)CSCCO 62a_100000211926_200000101388 [0,2,0,0,0,0|2,0,0]=4 14144 B12R0.47 CCOCCOC(=O)CSCCO 62a_200000101388_100000211926 [0,2,0,0,0,0|2,0,0]=4 14145 B12R0.47 CCOCCOC(=O)CSCOC 62a_100000766300_200000101388 [0,2,0,0,0,0|2,0,0]=4 14146 B12R0.47 CCOCCOC(=O)CSCOC 62a_200000101388_100000766300 [0,2,0,0,0,0|2,0,0]=4 14147 B12R0.47 CCOCCOC(=O)CSCSC 62a_100011218213_200000101388 [0,2,0,0,0,0|2,0,0]=4 14148 B12R0.47 CCOCCOC(=O)CSCSC 62a_200000101388_100011218213 [0,2,0,0,0,0|2,0,0]=4 14149 B12R0.47 CCOCSCC(=O)NCCOC 62a_100000183275_100000739092 [0,2,0,0,0,0|2,0,0]=4 14150 B12R0.47 CCOCSCC(=O)NCCOC 62a_100000739092_100000183275 [0,2,0,0,0,0|2,0,0]=4 14151 B12R0.47 CCOCSCC(=O)OCCOC 62a_100000739092_200000040189 [0,2,0,0,0,0|1,0,0]=3 14152 B12R0.47 CCOCSCC(=O)OCCOC 62a_200000040189_100000739092 [0,2,0,0,0,0|1,0,0]=3 14153 B12R0.47 CCSCCC(=O)CCCCC#N 1458a_100000230768_100000211819 [0,2,0,0,0,0|1,0,1]=4 14154 B12R0.47 CCSCCC(=O)CCCCCF 1458a_100000230768_100000729378 [0,2,0,0,0,0|1,0,0]=3 14155 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100000230768_100000746330 [0,2,0,0,0,0|1,0,0]=3 14156 B12R0.47 CCSCCC(=O)CCCCCO 1458a_100102619762_100000757381 [0,2,0,0,0,0|1,0,0]=3 14157 B12R0.47 CCSCCC(=O)CCCCOC 1458a_100000230768_100000755781 [0,2,0,0,0,0|1,0,0]=3 14158 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100000230768_100011215305 [0,2,0,0,0,0|2,0,0]=4 14159 B12R0.47 CCSCCC(=O)CCOCCO 1458a_100011229844_100000757381 [0,2,0,0,0,0|2,0,0]=4 14160 B12R0.47 CCSCCC(=O)COCCOC 1458a_100000211095_100000757381 [0,2,0,0,0,0|1,0,0]=3 14161 B12R0.47 CCSCCC(=O)NCCCCO 240690a_100000750430_100000230768 [0,2,0,0,0,0|2,0,0]=4 14162 B12R0.47 CCSCCC(=O)NCCCCO 527a_100000750430_100000230768 [0,2,0,0,0,0|2,0,0]=4 14163 B12R0.47 CCSCCC(=O)NCCCOC 1626a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14164 B12R0.47 CCSCCC(=O)NCCCOC 240690a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14165 B12R0.47 CCSCCC(=O)NCCCOC 527a_100150723488_100000230768 [0,2,0,0,0,0|2,0,0]=4 14166 B12R0.47 CCSCCC(=O)NCCCSC 11a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14167 B12R0.47 CCSCCC(=O)NCCCSC 1626a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14168 B12R0.47 CCSCCC(=O)NCCCSC 240690a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14169 B12R0.47 CCSCCC(=O)NCCCSC 527a_100000749238_100000230768 [0,2,0,0,0,0|2,0,0]=4 14170 B12R0.47 CCSCCC(=O)NNCCOC 22a_100000741390_100000230768 [0,2,0,0,0,0|2,0,0]=4 14171 B12R0.47 CCSCCNC(=O)CCCCO 1626a_100000106463_100000695505 [0,2,0,0,0,0|2,0,0]=4 14172 B12R0.47 CCSCCNC(=O)CCCOC 11a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14173 B12R0.47 CCSCCNC(=O)CCCOC 1626a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14174 B12R0.47 CCSCCNC(=O)CCCOC 240690a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14175 B12R0.47 CCSCCNC(=O)CCCOC 527a_100000106463_100000741012 [0,2,0,0,0,0|2,0,0]=4 14176 B12R0.47 CCSCCNC(=O)CCCSC 11a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14177 B12R0.47 CCSCCNC(=O)CCCSC 1626a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14178 B12R0.47 CCSCCNC(=O)CCCSC 240690a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14179 B12R0.47 CCSCCNC(=O)CCCSC 527a_100000106463_100000173376 [0,2,0,0,0,0|2,0,0]=4 14180 B12R0.47 CCSCCNC(=O)CCSCC 11a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14181 B12R0.47 CCSCCNC(=O)CCSCC 1626a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14182 B12R0.47 CCSCCNC(=O)CCSCC 240690a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14183 B12R0.47 CCSCCNC(=O)CCSCC 527a_100000106463_100000230768 [0,2,0,0,0,0|2,0,0]=4 14184 B12R0.47 CCSCCNC(=O)COCCO 1626a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14185 B12R0.47 CCSCCNC(=O)COCCO 240690a_100000106463_100000708028 [0,2,0,0,0,0|2,0,0]=4 14186 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14187 B12R0.47 CCSCCNC(=O)NCCCF 2708a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14188 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14189 B12R0.47 CCSCCNC(=O)NCCCF 273464a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14190 B12R0.47 CCSCCNC(=O)NCCCF 512a_100000106463_100015189416 [0,2,0,0,0,0|2,0,0]=4 14191 B12R0.47 CCSCCNC(=O)NCCCF 512a_100015189416_100000106463 [0,2,0,0,0,0|2,0,0]=4 14192 B12R0.47 CCSCCNC(=O)NCCCO 2708a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14193 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14194 B12R0.47 CCSCCNC(=O)NCCCO 273464a_100000182051_100000106463 [0,2,0,0,0,0|2,0,0]=4 14195 B12R0.47 CCSCCNC(=O)NCCCO 512a_100000106463_100000182051 [0,2,0,0,0,0|2,0,0]=4 14196 B12R0.47 CCSCCNC(=O)NCCOC 2708a_100000106463_100000209980 [0,2,0,0,0,0|2,0,0]=4 14197 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000106463_100000209980 [0,2,0,0,0,0|2,0,0]=4 14198 B12R0.47 CCSCCNC(=O)NCCOC 273464a_100000209980_100000106463 [0,2,0,0,0,0|2,0,0]=4 14199 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14200 B12R0.47 CCSCCNC(=O)NCCSC 2708a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14201 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14202 B12R0.47 CCSCCNC(=O)NCCSC 273464a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14203 B12R0.47 CCSCCNC(=O)NCCSC 512a_100000106463_100020590264 [0,2,0,0,0,0|2,0,0]=4 14204 B12R0.47 CCSCCNC(=O)NCCSC 512a_100020590264_100000106463 [0,2,0,0,0,0|2,0,0]=4 14205 B12R0.47 COCC=CC(=O)CCCCCF 1458a_100016285016_100000729378 [0,2,0,0,0,0|1,0,1]=4 14206 B12R0.47 COCC=CC(=O)CCCCCO 1458a_100016285016_100000746330 [0,2,0,0,0,0|1,0,1]=4 14207 B12R0.47 COCC=CC(=O)CCCCOC 1458a_100016285016_100000755781 [0,2,0,0,0,0|1,0,1]=4 14208 B12R0.47 COCCCC(=O)CCCCC#N 1458a_100000741012_100000211819 [0,2,0,0,0,0|1,0,1]=4 14209 B12R0.47 COCCCC(=O)CCCCCF 1458a_100000741012_100000729378 [0,2,0,0,0,0|1,0,0]=3 14210 B12R0.47 COCCCC(=O)CCCCCO 1458a_100000741012_100000746330 [0,2,0,0,0,0|1,0,0]=3 14211 B12R0.47 COCCCC(=O)CCCCCO 1458a_100102619762_100000740836 [0,2,0,0,0,0|1,0,0]=3 14212 B12R0.47 COCCCC(=O)CCOCCO 1458a_100000741012_100011215305 [0,2,0,0,0,0|2,0,0]=4 14213 B12R0.47 COCCCC(=O)CCOCCO 1458a_100011229844_100000740836 [0,2,0,0,0,0|2,0,0]=4 14214 B12R0.47 COCCCC(=O)COCCOC 1458a_100000211095_100000740836 [0,2,0,0,0,0|1,0,0]=3 14215 B12R0.47 COCCCC(=O)NCCCCO 240690a_100000750430_100000741012 [0,2,0,0,0,0|2,0,0]=4 14216 B12R0.47 COCCCC(=O)NCCCCO 527a_100000750430_100000741012 [0,2,0,0,0,0|2,0,0]=4 14217 B12R0.47 COCCCC(=O)NCCCSC 11a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14218 B12R0.47 COCCCC(=O)NCCCSC 1626a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14219 B12R0.47 COCCCC(=O)NCCCSC 240690a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14220 B12R0.47 COCCCC(=O)NCCCSC 527a_100000749238_100000741012 [0,2,0,0,0,0|2,0,0]=4 14221 B12R0.47 COCCCC(=O)NNCCOC 22a_100000741390_100000741012 [0,2,0,0,0,0|2,0,0]=4 14222 B12R0.47 COCCCCC(=O)CCCC#N 1458a_100000075515_100000755781 [0,2,0,0,0,0|1,0,1]=4 14223 B12R0.47 COCCCCC(=O)CCCCO 1458a_100000695505_100000755781 [0,2,0,0,0,0|1,0,0]=3 14224 B12R0.47 COCCCCC(=O)CCCOC 1458a_100000741012_100000755781 [0,2,0,0,0,0|1,0,0]=3 14225 B12R0.47 COCCCCC(=O)CCCSC 1458a_100000173376_100000755781 [0,2,0,0,0,0|1,0,0]=3 14226 B12R0.47 COCCCCC(=O)COCCO 1458a_100000708028_100000755781 [0,2,0,0,0,0|1,0,0]=3 14227 B12R0.47 COCCCNC(=O)CCCCO 1626a_100150723488_100000695505 [0,2,0,0,0,0|2,0,0]=4 14228 B12R0.47 COCCCNC(=O)CCCOC 1626a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14229 B12R0.47 COCCCNC(=O)CCCOC 240690a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14230 B12R0.47 COCCCNC(=O)CCCOC 527a_100150723488_100000741012 [0,2,0,0,0,0|2,0,0]=4 14231 B12R0.47 COCCCNC(=O)CCCSC 1626a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14232 B12R0.47 COCCCNC(=O)CCCSC 240690a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14233 B12R0.47 COCCCNC(=O)CCCSC 527a_100150723488_100000173376 [0,2,0,0,0,0|2,0,0]=4 14234 B12R0.47 COCCCNC(=O)COCCBr 34a_100000211926_100000183178 [0,2,0,0,0,0|2,0,0]=4 14235 B12R0.47 COCCCNC(=O)COCCN 34a_100000210304_100000183178 [0,2,0,0,0,0|2,0,0]=4 14236 B12R0.47 COCCCNC(=O)COCCO 1626a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14237 B12R0.47 COCCCNC(=O)COCCO 240690a_100150723488_100000708028 [0,2,0,0,0,0|2,0,0]=4 14238 B12R0.47 COCCCNC(=O)NCCCF 2708a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14239 B12R0.47 COCCCNC(=O)NCCCF 2708a_100150723488_100015189416 [0,2,0,0,0,0|2,0,0]=4 14240 B12R0.47 COCCCNC(=O)NCCCF 273464a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14241 B12R0.47 COCCCNC(=O)NCCCF 273464a_100150723488_100015189416 [0,2,0,0,0,0|2,0,0]=4 14242 B12R0.47 COCCCNC(=O)NCCCF 512a_100015189416_100150723488 [0,2,0,0,0,0|2,0,0]=4 14243 B12R0.47 COCCCNC(=O)NCCCO 2708a_100150723488_100000182051 [0,2,0,0,0,0|2,0,0]=4 14244 B12R0.47 COCCCNC(=O)NCCCO 273464a_100000182051_100150723488 [0,2,0,0,0,0|2,0,0]=4 14245 B12R0.47 COCCCNC(=O)NCCCO 273464a_100150723488_100000182051 [0,2,0,0,0,0|2,0,0]=4 14246 B12R0.47 COCCCNC(=O)NCCOC 2708a_100150723488_100000209980 [0,2,0,0,0,0|2,0,0]=4 14247 B12R0.47 COCCCNC(=O)NCCOC 273464a_100000209980_100150723488 [0,2,0,0,0,0|2,0,0]=4 14248 B12R0.47 COCCCNC(=O)NCCOC 273464a_100150723488_100000209980 [0,2,0,0,0,0|2,0,0]=4 14249 B12R0.47 COCCCNC(=O)NCCSC 2708a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14250 B12R0.47 COCCCNC(=O)NCCSC 2708a_100150723488_100020590264 [0,2,0,0,0,0|2,0,0]=4 14251 B12R0.47 COCCCNC(=O)NCCSC 273464a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14252 B12R0.47 COCCCNC(=O)NCCSC 273464a_100150723488_100020590264 [0,2,0,0,0,0|2,0,0]=4 14253 B12R0.47 COCCCNC(=O)NCCSC 512a_100020590264_100150723488 [0,2,0,0,0,0|2,0,0]=4 14254 B12R0.47 COCCNC(=O)CCCCCO 240690a_100000209980_100102619762 [0,2,0,0,0,0|1,0,0]=3 14255 B12R0.47 COCCNC(=O)CCOCCO 1626a_100000209980_100011229844 [0,2,0,0,0,0|2,0,0]=4 14256 B12R0.47 COCCNC(=O)CCOCCO 240690a_100000209980_100011229844 [0,2,0,0,0,0|2,0,0]=4 14257 B12R0.47 COCCNC(=O)CNCCCF 2230a_100000754632_100011934791 [0,2,0,0,0,0|2,0,0]=4 14258 B12R0.47 COCCNC(=O)CNCCCF 2230a_100015189416_100000183275 [0,2,0,0,0,0|2,0,0]=4 14259 B12R0.47 COCCNC(=O)CNCCCF 34a_100015189416_100000183275 [0,2,0,0,0,0|2,0,0]=4 14260 B12R0.47 COCCNC(=O)CNCCCO 2230a_100000754632_100000230001 [0,2,0,0,0,0|2,0,0]=4 14261 B12R0.47 COCCNC(=O)CNCCSC 2230a_100000754632_100000751147 [0,2,0,0,0,0|2,0,0]=4 14262 B12R0.47 COCCNC(=O)CNCCSC 2230a_100020590264_100000183275 [0,2,0,0,0,0|2,0,0]=4 14263 B12R0.47 COCCNC(=O)COCCCBr 34a_100011217188_100000183275 [0,2,0,0,0,0|2,0,0]=4 14264 B12R0.47 COCCNC(=O)COCCCCl 34a_100000230001_100000183275 [0,2,0,0,0,0|2,0,0]=4 14265 B12R0.47 COCCNC(=O)COCCCF 34a_100000759539_100000183275 [0,2,0,0,0,0|2,0,0]=4 14266 B12R0.47 COCCNC(=O)COCCCN 34a_100000182051_100000183275 [0,2,0,0,0,0|2,0,0]=4 14267 B12R0.47 COCCNC(=O)COCCOC 1626a_100000209980_100000211095 [0,2,0,0,0,0|2,0,0]=4 14268 B12R0.47 COCCNC(=O)COCCOC 240690a_100000209980_100000211095 [0,2,0,0,0,0|2,0,0]=4 14269 B12R0.47 COCCNC(=O)COCCOC 34a_100000210237_100000183275 [0,2,0,0,0,0|2,0,0]=4 14270 B12R0.47 COCCNC(=O)COCCOC 527a_100000209980_100000211095 [0,2,0,0,0,0|2,0,0]=4 14271 B12R0.47 COCCNC(=O)COCCSC 34a_100000230434_100000183275 [0,2,0,0,0,0|2,0,0]=4 14272 B12R0.47 COCCNC(=O)COCCSC 7a_100000230434_100000183275 [0,2,0,0,0,0|2,0,0]=4 14273 B12R0.47 COCCNC(=O)CSCCCF 62a_100000183275_100011934791 [0,2,0,0,0,0|2,0,0]=4 14274 B12R0.47 COCCNC(=O)CSCCCF 62a_100011934791_100000183275 [0,2,0,0,0,0|2,0,0]=4 14275 B12R0.47 COCCNC(=O)CSCCCO 62a_100000183275_100011215043 [0,2,0,0,0,0|2,0,0]=4 14276 B12R0.47 COCCNC(=O)CSCCCO 62a_100011215043_100000183275 [0,2,0,0,0,0|2,0,0]=4 14277 B12R0.47 COCCNC(=O)CSCCOC 62a_100000183275_100000233755 [0,2,0,0,0,0|2,0,0]=4 14278 B12R0.47 COCCNC(=O)CSCCOC 62a_100000233755_100000183275 [0,2,0,0,0,0|2,0,0]=4 14279 B12R0.47 COCCNC(=O)CSCCSC 62a_100000183275_100000751147 [0,2,0,0,0,0|2,0,0]=4 14280 B12R0.47 COCCNC(=O)CSCCSC 62a_100000212216_100000183275 [0,2,0,0,0,0|2,0,0]=4 14281 B12R0.47 COCCNC(=O)NCCCCO 2708a_100000750430_100000209980 [0,2,0,0,0,0|2,0,0]=4 14282 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000209980_100000750430 [0,2,0,0,0,0|2,0,0]=4 14283 B12R0.47 COCCNC(=O)NCCCCO 273464a_100000750430_100000209980 [0,2,0,0,0,0|2,0,0]=4 14284 B12R0.47 COCCNC(=O)NCCCSC 2708a_100000749238_100000209980 [0,2,0,0,0,0|2,0,0]=4 14285 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000209980_100000749238 [0,2,0,0,0,0|2,0,0]=4 14286 B12R0.47 COCCNC(=O)NCCCSC 273464a_100000749238_100000209980 [0,2,0,0,0,0|2,0,0]=4 14287 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000209980_100000183275 [0,2,0,0,0,0|2,0,0]=4 14288 B12R0.47 COCCNCC(=O)NCCOC 2230a_100000754632_100011201679 [0,2,0,0,0,0|2,0,0]=4 14289 B12R0.47 COCCNCC(=O)OCCOC 2230a_100000209980_200000040189 [0,2,0,0,0,0|1,0,0]=3 14290 B12R0.47 COCCNNC(=O)CCCSC 22a_100000741390_100000173376 [0,2,0,0,0,0|2,0,0]=4 14291 B12R0.47 COCCOC(=O)CNCCCF 2230a_100015189416_200000040189 [0,2,0,0,0,0|1,0,0]=3 14292 B12R0.47 COCCOC(=O)CNCCCF 34a_100015189416_200000040189 [0,2,0,0,0,0|1,0,0]=3 14293 B12R0.47 COCCOC(=O)CNCCSC 2230a_100020590264_200000040189 [0,2,0,0,0,0|1,0,0]=3 14294 B12R0.47 COCCOC(=O)COCCCBr 34a_100011217188_200000040189 [0,2,0,0,0,0|1,0,0]=3 14295 B12R0.47 COCCOC(=O)COCCCCl 34a_100000230001_200000040189 [0,2,0,0,0,0|1,0,0]=3 14296 B12R0.47 COCCOC(=O)COCCCF 34a_100000759539_200000040189 [0,2,0,0,0,0|1,0,0]=3 14297 B12R0.47 COCCOC(=O)COCCCN 34a_100000182051_200000040189 [0,2,0,0,0,0|1,0,0]=3 14298 B12R0.47 COCCOC(=O)COCCON 34a_100000700252_200000040189 [0,2,0,0,0,0|2,0,0]=4 14299 B12R0.47 COCCOC(=O)COCCSC 34a_100000230434_200000040189 [0,2,0,0,0,0|1,0,0]=3 14300 B12R0.47 COCCOC(=O)COCCSC 7a_100000230434_200000040189 [0,2,0,0,0,0|1,0,0]=3 14301 B12R0.47 COCCOC(=O)CSCCC#N 62a_100011215226_200000040189 [0,2,0,0,0,0|1,0,1]=4 14302 B12R0.47 COCCOC(=O)CSCCC#N 62a_200000040189_100011215226 [0,2,0,0,0,0|1,0,1]=4 14303 B12R0.47 COCCOC(=O)CSCCCF 62a_100011934791_200000040189 [0,2,0,0,0,0|1,0,0]=3 14304 B12R0.47 COCCOC(=O)CSCCCF 62a_200000040189_100011934791 [0,2,0,0,0,0|1,0,0]=3 14305 B12R0.47 COCCOC(=O)CSCCCO 62a_100011215043_200000040189 [0,2,0,0,0,0|1,0,0]=3 14306 B12R0.47 COCCOC(=O)CSCCCO 62a_200000040189_100011215043 [0,2,0,0,0,0|1,0,0]=3 14307 B12R0.47 COCCOC(=O)CSCCOC 62a_100000233755_200000040189 [0,2,0,0,0,0|1,0,0]=3 14308 B12R0.47 COCCOC(=O)CSCCOC 62a_200000040189_100000233755 [0,2,0,0,0,0|1,0,0]=3 14309 B12R0.47 COCCOC(=O)CSCCSC 62a_100000212216_200000040189 [0,2,0,0,0,0|1,0,0]=3 14310 B12R0.47 COCCOC(=O)CSCCSC 62a_200000040189_100000751147 [0,2,0,0,0,0|1,0,0]=3 14311 B12R0.47 COCCOCC(=O)CCCC#N 1458a_100000211095_100000211468 [0,2,0,0,0,0|1,0,1]=4 14312 B12R0.47 COCCOCC(=O)CCCCF 1458a_100000211095_100000729493 [0,2,0,0,0,0|1,0,0]=3 14313 B12R0.47 COCCOCC(=O)CCCCO 1458a_100000211095_100000210776 [0,2,0,0,0,0|1,0,0]=3 14314 B12R0.47 COCCOCC(=O)NCCCF 11a_100015189416_100000211095 [0,2,0,0,0,0|2,0,0]=4 14315 B12R0.47 COCCOCC(=O)NCCCF 1626a_100015189416_100000211095 [0,2,0,0,0,0|2,0,0]=4 14316 B12R0.47 COCCOCC(=O)NCCCF 240690a_100015189416_100000211095 [0,2,0,0,0,0|2,0,0]=4 14317 B12R0.47 COCCOCC(=O)NCCCF 527a_100015189416_100000211095 [0,2,0,0,0,0|2,0,0]=4 14318 B12R0.47 COCCOCC(=O)NCCCO 240690a_100000182051_100000211095 [0,2,0,0,0,0|2,0,0]=4 14319 B12R0.47 COCCOCC(=O)NCCCO 527a_100000182051_100000211095 [0,2,0,0,0,0|2,0,0]=4 14320 B12R0.47 COCCOCC(=O)NCCSC 11a_100020590264_100000211095 [0,2,0,0,0,0|2,0,0]=4 14321 B12R0.47 COCCOCC(=O)NCCSC 1626a_100020590264_100000211095 [0,2,0,0,0,0|2,0,0]=4 14322 B12R0.47 COCCOCC(=O)NCCSC 240690a_100020590264_100000211095 [0,2,0,0,0,0|2,0,0]=4 14323 B12R0.47 COCCOCC(=O)NCCSC 527a_100020590264_100000211095 [0,2,0,0,0,0|2,0,0]=4 14324 B12R0.47 COCCOCC(=O)OCCOC 34a_100000210237_200000040189 [0,2,0,0,0,0|1,0,0]=3 14325 B12R0.47 CSCCCC(=O)CCCCC#N 1458a_100000173376_100000211819 [0,2,0,0,0,0|1,0,1]=4 14326 B12R0.47 CSCCCC(=O)CCCCCF 1458a_100000173376_100000729378 [0,2,0,0,0,0|1,0,0]=3 14327 B12R0.47 CSCCCC(=O)CCCCCO 1458a_100000173376_100000746330 [0,2,0,0,0,0|1,0,0]=3 14328 B12R0.47 CSCCCC(=O)CCOCCO 1458a_100000173376_100011215305 [0,2,0,0,0,0|2,0,0]=4 14329 B12R0.47 CSCCCC(=O)NCCCCO 240690a_100000750430_100000173376 [0,2,0,0,0,0|2,0,0]=4 14330 B12R0.47 CSCCCC(=O)NCCCCO 527a_100000750430_100000173376 [0,2,0,0,0,0|2,0,0]=4 14331 B12R0.47 CSCCCNC(=O)CCCCO 1626a_100000749238_100000695505 [0,2,0,0,0,0|2,0,0]=4 14332 B12R0.47 CSCCCNC(=O)CCCSC 11a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14333 B12R0.47 CSCCCNC(=O)CCCSC 1626a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14334 B12R0.47 CSCCCNC(=O)CCCSC 240690a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14335 B12R0.47 CSCCCNC(=O)CCCSC 527a_100000749238_100000173376 [0,2,0,0,0,0|2,0,0]=4 14336 B12R0.47 CSCCCNC(=O)COCCO 1626a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14337 B12R0.47 CSCCCNC(=O)COCCO 240690a_100000749238_100000708028 [0,2,0,0,0,0|2,0,0]=4 14338 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14339 B12R0.47 CSCCCNC(=O)NCCCF 2708a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14340 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14341 B12R0.47 CSCCCNC(=O)NCCCF 273464a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14342 B12R0.47 CSCCCNC(=O)NCCCF 512a_100000749238_100015189416 [0,2,0,0,0,0|2,0,0]=4 14343 B12R0.47 CSCCCNC(=O)NCCCF 512a_100015189416_100000749238 [0,2,0,0,0,0|2,0,0]=4 14344 B12R0.47 CSCCCNC(=O)NCCCO 2708a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14345 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000182051_100000749238 [0,2,0,0,0,0|2,0,0]=4 14346 B12R0.47 CSCCCNC(=O)NCCCO 273464a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14347 B12R0.47 CSCCCNC(=O)NCCCO 512a_100000749238_100000182051 [0,2,0,0,0,0|2,0,0]=4 14348 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14349 B12R0.47 CSCCCNC(=O)NCCSC 2708a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14350 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14351 B12R0.47 CSCCCNC(=O)NCCSC 273464a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14352 B12R0.47 CSCCCNC(=O)NCCSC 512a_100000749238_100020590264 [0,2,0,0,0,0|2,0,0]=4 14353 B12R0.47 CSCCCNC(=O)NCCSC 512a_100020590264_100000749238 [0,2,0,0,0,0|2,0,0]=4 14354 B12R0.47 CSCCNC(=O)CCCCCO 240690a_100020590264_100102619762 [0,2,0,0,0,0|1,0,0]=3 14355 B12R0.47 CSCCNC(=O)CCOCCO 1626a_100020590264_100011229844 [0,2,0,0,0,0|2,0,0]=4 14356 B12R0.47 CSCCNC(=O)CCOCCO 240690a_100020590264_100011229844 [0,2,0,0,0,0|2,0,0]=4 14357 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14358 B12R0.47 CSCCNC(=O)NCCCCO 2708a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14359 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14360 B12R0.47 CSCCNC(=O)NCCCCO 273464a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14361 B12R0.47 CSCCNC(=O)NCCCCO 512a_100000750430_100020590264 [0,2,0,0,0,0|2,0,0]=4 14362 B12R0.47 CSCCNC(=O)NCCCCO 512a_100020590264_100000750430 [0,2,0,0,0,0|2,0,0]=4 14363 B12R0.47 N#CCCCC(=O)CCCCCF 1458a_100000075515_100000729378 [0,2,0,0,0,0|1,0,1]=4 14364 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100000075515_100000746330 [0,2,0,0,0,0|1,0,1]=4 14365 B12R0.47 N#CCCCC(=O)CCCCCO 1458a_100102619762_100000211468 [0,2,0,0,0,0|1,0,1]=4 14366 B12R0.47 N#CCCCCC(=O)CCCCO 1458a_100000695505_100000211819 [0,2,0,0,0,0|1,0,1]=4 14367 B12R0.47 N#CCCCCC(=O)COCCO 1458a_100000708028_100000211819 [0,2,0,0,0,0|1,0,1]=4 14368 B12R0.47 N#CCCNC(=O)CCCCCO 240690a_100000720768_100102619762 [0,2,0,0,0,0|1,0,1]=4 14369 B12R0.47 O=C(CCCCCF)COCCO 1458a_100000708028_100000729378 [0,2,0,0,0,0|1,0,0]=3 14370 B12R0.47 O=C(CCCCCO)COCCO 1458a_100000708028_100000746330 [0,2,0,0,0,0|1,0,0]=3 14371 B12R0.47 O=C(CCCCCO)NCCCF 240690a_100015189416_100102619762 [0,2,0,0,0,0|1,0,0]=3 14372 B12R0.47 O=C(CCCCCO)NCCCO 240690a_100000182051_100102619762 [0,2,0,0,0,0|1,0,0]=3 14373 B12R0.47 O=C(CCCCCO)NNCCO 22a_100000210001_100102619762 [0,2,0,0,0,0|2,0,0]=4 14374 B12R0.47 O=C(CCCCF)CCCCCO 1458a_100102619762_100000729493 [0,2,0,0,0,0|1,0,0]=3 14375 B12R0.47 O=C(CCCCF)CCOCCO 1458a_100011229844_100000729493 [0,2,0,0,0,0|2,0,0]=4 14376 B12R0.47 O=C(CCCCO)CCCCCF 1458a_100000695505_100000729378 [0,2,0,0,0,0|1,0,0]=3 14377 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100000695505_100000746330 [0,2,0,0,0,0|1,0,0]=3 14378 B12R0.47 O=C(CCCCO)CCCCCO 1458a_100102619762_100000210776 [0,2,0,0,0,0|1,0,0]=3 14379 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100000695505_100011215305 [0,2,0,0,0,0|2,0,0]=4 14380 B12R0.47 O=C(CCCCO)CCOCCO 1458a_100011229844_100000210776 [0,2,0,0,0,0|2,0,0]=4 14381 B12R0.47 O=C(CCOCCO)COCCO 1458a_100000708028_100011215305 [0,2,0,0,0,0|2,0,0]=4 14382 B12R0.47 O=C(CCOCCO)NCCCF 1626a_100015189416_100011229844 [0,2,0,0,0,0|2,0,0]=4 14383 B12R0.47 O=C(CCOCCO)NCCCF 240690a_100015189416_100011229844 [0,2,0,0,0,0|2,0,0]=4 14384 B12R0.47 O=C(CCOCCO)NCCCO 240690a_100000182051_100011229844 [0,2,0,0,0,0|2,0,0]=4 14385 B12R0.47 O=C(COCCO)NCCCCO 240690a_100000750430_100000708028 [0,2,0,0,0,0|2,0,0]=4 14386 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14387 B12R0.47 O=C(NCCCF)NCCCCO 2708a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14388 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14389 B12R0.47 O=C(NCCCF)NCCCCO 273464a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14390 B12R0.47 O=C(NCCCF)NCCCCO 512a_100000750430_100015189416 [0,2,0,0,0,0|2,0,0]=4 14391 B12R0.47 O=C(NCCCF)NCCCCO 512a_100015189416_100000750430 [0,2,0,0,0,0|2,0,0]=4 14392 B12R0.47 O=C(NCCCO)NCCCCO 2708a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14393 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000182051_100000750430 [0,2,0,0,0,0|2,0,0]=4 14394 B12R0.47 O=C(NCCCO)NCCCCO 273464a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14395 B12R0.47 O=C(NCCCO)NCCCCO 512a_100000750430_100000182051 [0,2,0,0,0,0|2,0,0]=4 14396 B12R0.95 C=C(Br)CCOCC(=O)OCCC 34a_100009813270_200011215008 [0,2,0,0,0,0|0,0,2]=4 14397 B12R0.95 C=C(C)CCNCC(=O)NCCC 2230a_100000174927_100000730704 [0,2,0,0,0,0|1,0,1]=4 14398 B12R0.95 C=C(C)CCOCC(=O)NCCC 34a_100000764851_100000183358 [0,2,0,0,0,0|1,0,1]=4 14399 B12R0.95 C=C(C)CCOCC(=O)OCCC 34a_100000764851_200011215008 [0,2,0,0,0,0|0,0,1]=3 14400 B12R0.95 C=C(C)CCSCC(=O)NCCC 62a_100000183358_100000730704 [0,2,0,0,0,0|1,0,1]=4 14401 B12R0.95 C=C(C)CCSCC(=O)NCCC 62a_100000730704_100000183358 [0,2,0,0,0,0|1,0,1]=4 14402 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_100000730704_200011215008 [0,2,0,0,0,0|0,0,1]=3 14403 B12R0.95 C=C(C)CCSCC(=O)OCCC 62a_200011215008_100000730704 [0,2,0,0,0,0|0,0,1]=3 14404 B12R0.95 C=C(C)COCOC(=O)OCCC 34a_100000210245_200000139673 [0,2,0,0,0,0|1,0,1]=4 14405 B12R0.95 C=C(C)CSCOC(=O)OCCC 62a_100000748629_200000139673 [0,2,0,0,0,0|1,0,1]=4 14406 B12R0.95 C=C(COCCC(C)Br)OCOC 34a_100009893172_100000042856 [0,2,0,0,0,0|2,0,0]=4 14407 B12R0.95 C=C(COCCC(C)C)OCOC 34a_100000210254_100000042856 [0,2,0,0,0,0|2,0,0]=4 14408 B12R0.95 C=C(COCC[C@@H](C)N)OCOC 34a_100000706166_100000042856 [0,2,0,0,0,0|2,0,0]=4 14409 B12R0.95 C=C(CSCCC(C)C)OCOC 62a_100000042856_100000210312 [0,2,0,0,0,0|2,0,0]=4 14410 B12R0.95 C=C(CSCCC(C)C)OCOC 62a_100000210312_100000042856 [0,2,0,0,0,0|2,0,0]=4 14411 B12R0.95 C=C(CSCCC(C)O)OCOC 62a_100000042856_100012276601 [0,2,0,0,0,0|2,0,0]=4 14412 B12R0.95 C=C(CSCCC(C)O)OCOC 62a_100012276601_100000042856 [0,2,0,0,0,0|2,0,0]=4 14413 B12R0.95 C=CCOC(=O)CNCCC(C)O 2230a_200000755665_100000033060 [0,2,0,0,0,0|0,0,2]=4 14414 B12R0.95 C=CCOC(=O)COCCC(C)Br 34a_100009893172_100000033060 [0,2,0,0,0,0|0,0,2]=4 14415 B12R0.95 C=CCOC(=O)COCCC(C)C 34a_100000210254_100000033060 [0,2,0,0,0,0|0,0,2]=4 14416 B12R0.95 C=CCOC(=O)COCCC(C)C 7a_100000210254_100000033060 [0,2,0,0,0,0|0,0,2]=4 14417 B12R0.95 C=CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000033060 [0,2,0,0,0,0|0,0,2]=4 14418 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000033060_100000210312 [0,2,0,0,0,0|0,0,2]=4 14419 B12R0.95 C=CCOC(=O)CSCCC(C)C 62a_100000210312_100000033060 [0,2,0,0,0,0|0,0,2]=4 14420 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100000033060_100012276601 [0,2,0,0,0,0|0,0,2]=4 14421 B12R0.95 C=CCOC(=O)CSCCC(C)O 62a_100012276601_100000033060 [0,2,0,0,0,0|0,0,2]=4 14422 B12R0.95 CC(C)CCCCC(=O)CCCF 1458a_100011933920_100011934791 [0,2,0,0,0,0|2,0,0]=4 14423 B12R0.95 CC(C)CCCCC(=O)CCCO 1458a_100011933920_100011215043 [0,2,0,0,0,0|2,0,0]=4 14424 B12R0.95 CC(C)CCCCC(=O)NCCF 11a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14425 B12R0.95 CC(C)CCCCC(=O)NCCF 1626a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14426 B12R0.95 CC(C)CCCCC(=O)NCCF 240690a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14427 B12R0.95 CC(C)CCCCC(=O)NCCF 527a_100000724931_100011933920 [0,2,0,0,0,0|2,0,0]=4 14428 B12R0.95 CC(C)CCCCC(=O)NCCO 240690a_100000210304_100011933920 [0,2,0,0,0,0|2,0,0]=4 14429 B12R0.95 CC(C)CCCCC(=O)NCCO 527a_100000210304_100011933920 [0,2,0,0,0,0|2,0,0]=4 14430 B12R0.95 CC(C)CCCNC(=O)NCCF 2708a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14431 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_100000724931_200000737386 [0,2,0,0,0,0|2,0,0]=4 14432 B12R0.95 CC(C)CCCNC(=O)NCCF 273464a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14433 B12R0.95 CC(C)CCCNC(=O)NCCF 512a_200000737386_100000724931 [0,2,0,0,0,0|2,0,0]=4 14434 B12R0.95 CC(C)CCCNC(=O)NCCO 2708a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14435 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_100000210304_200000737386 [0,2,0,0,0,0|2,0,0]=4 14436 B12R0.95 CC(C)CCCNC(=O)NCCO 273464a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14437 B12R0.95 CC(C)CCCNC(=O)NCCO 512a_200000737386_100000210304 [0,2,0,0,0,0|2,0,0]=4 14438 B12R0.95 CC(C)CCNCC(=O)NCCF 2230a_100000725713_100000210312 [0,2,0,0,0,0|2,0,0]=4 14439 B12R0.95 CC(O)CCNCC(=O)NCCF 2230a_100000725713_100012276601 [0,2,0,0,0,0|2,0,0]=4 14440 B12R0.95 CCC#CC(=O)CCCCC(=O)C 1458a_100011827653_100000735457 [0,2,0,0,0,0|1,0,1]=4 14441 B12R0.95 CCC#CC(=O)CCCCC(C)C 1458a_100011827653_100011216152 [0,2,0,0,0,0|1,0,1]=4 14442 B12R0.95 CCC=CC(=O)CCCCC(=O)C 1458a_100000212282_100000735457 [0,2,0,0,0,0|1,0,1]=4 14443 B12R0.95 CCC=CC(=O)CCCCC(C)C 1458a_100000212282_100011216152 [0,2,0,0,0,0|1,0,1]=4 14444 B12R0.95 CCC=CC(=O)NCCCC(C)C 11a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14445 B12R0.95 CCC=CC(=O)NCCCC(C)C 1626a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14446 B12R0.95 CCC=CC(=O)NCCCC(C)C 240690a_200000737386_100000212282 [0,2,0,0,0,0|1,0,1]=4 14447 B12R0.95 CCCCC(=O)CCCCB(O)O 1458a_100000210183_200009817182 [0,2,0,0,0,0|2,0,0]=4 14448 B12R0.95 CCCCC(=O)CCCCC(=O)C 1458a_100000210183_100000735457 [0,2,0,0,0,0|1,0,0]=3 14449 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100000210183_100011216152 [0,2,0,0,0,0|1,0,0]=3 14450 B12R0.95 CCCCC(=O)CCCCC(C)C 1458a_100011933920_100000210211 [0,2,0,0,0,0|1,0,0]=3 14451 B12R0.95 CCCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210211 [0,2,0,0,0,0|1,0,1]=4 14452 B12R0.95 CCCCC(=O)CCCOC(=O)C 1458a_100000210183_100000042594 [0,2,0,0,0,0|1,0,1]=4 14453 B12R0.95 CCCCC(=O)CCCOC(=S)C 1458a_100000210183_200135323944 [0,2,0,0,0,0|1,0,1]=4 14454 B12R0.95 CCCCC(=O)CCCSC(=O)C 1458a_100000210183_100000038929 [0,2,0,0,0,0|1,0,1]=4 14455 B12R0.95 CCCCC(=O)CCOCC(F)F 1458a_100000210183_200012177212 [0,2,0,0,0,0|2,0,0]=4 14456 B12R0.95 CCCCC(=O)NCCCC(C)C 11a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14457 B12R0.95 CCCCC(=O)NCCCC(C)C 1626a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14458 B12R0.95 CCCCC(=O)NCCCC(C)C 240690a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14459 B12R0.95 CCCCC(=O)NCCCC(C)C 527a_200000737386_100000210183 [0,2,0,0,0,0|1,0,0]=3 14460 B12R0.95 CCCCC(=O)NCCCN(C)C 240690a_102531767803_100000210183 [0,2,0,0,0,0|2,0,0]=4 14461 B12R0.95 CCCCC(=O)NCCCN(C)C 527a_102531767803_100000210183 [0,2,0,0,0,0|2,0,0]=4 14462 B12R0.95 CCCCC(=O)NCCCS(=O)C 11a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14463 B12R0.95 CCCCC(=O)NCCCS(=O)C 240690a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14464 B12R0.95 CCCCC(=O)NCCCS(=O)C 527a_200000753449_100000210183 [0,2,0,0,0,0|2,0,0]=4 14465 B12R0.95 CCCCC(=O)NCCOC(C)C 11a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14466 B12R0.95 CCCCC(=O)NCCOC(C)C 1626a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14467 B12R0.95 CCCCC(=O)NCCOC(C)C 240690a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14468 B12R0.95 CCCCC(=O)NCCOC(C)C 527a_100000701111_100000210183 [0,2,0,0,0,0|2,0,0]=4 14469 B12R0.95 CCCCC(=O)NCCSC(C)C 11a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14470 B12R0.95 CCCCC(=O)NCCSC(C)C 1626a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14471 B12R0.95 CCCCC(=O)NCCSC(C)C 240690a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14472 B12R0.95 CCCCC(=O)NCCSC(C)C 527a_100000731138_100000210183 [0,2,0,0,0,0|2,0,0]=4 14473 B12R0.95 CCCNC(=O)CCCCC(C)C 11a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14474 B12R0.95 CCCNC(=O)CCCCC(C)C 1626a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14475 B12R0.95 CCCNC(=O)CCCCC(C)C 240690a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14476 B12R0.95 CCCNC(=O)CCCCC(C)C 527a_100020643023_100011933920 [0,2,0,0,0,0|1,0,0]=3 14477 B12R0.95 CCCNC(=O)CCCCN(C)C 11a_100020643023_100000751710 [0,2,0,0,0,0|1,0,0]=3 14478 B12R0.95 CCCNC(=O)CCCCN(C)C 240690a_100020643023_100000751710 [0,2,0,0,0,0|1,0,0]=3 14479 B12R0.95 CCCNC(=O)CCCCN(C)C 527a_100020643023_100000751710 [0,2,0,0,0,0|1,0,0]=3 14480 B12R0.95 CCCNC(=O)CCCNC(=O)C 11a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 14481 B12R0.95 CCCNC(=O)CCCNC(=O)C 1626a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 14482 B12R0.95 CCCNC(=O)CCCNC(=O)C 240690a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 14483 B12R0.95 CCCNC(=O)CCCNC(=O)C 527a_100020643023_100000194741 [0,2,0,0,0,0|1,0,1]=4 14484 B12R0.95 CCCNC(=O)CCCNC(C)C 2230a_100138425928_100011194427 [0,2,0,0,0,0|1,0,0]=3 14485 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100000210206_100011194427 [0,2,0,0,0,0|1,0,0]=3 14486 B12R0.95 CCCNC(=O)CCCSC(C)C 62a_100011194427_100000210206 [0,2,0,0,0,0|1,0,0]=3 14487 B12R0.95 CCCNC(=O)CNCCC(C)C 2230a_100000174927_100000210312 [0,2,0,0,0,0|1,0,0]=3 14488 B12R0.95 CCCNC(=O)CNCCC(C)C 269862a_100000174927_100000185833 [0,2,0,0,0,0|1,0,0]=3 14489 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_100000174927_100012276601 [0,2,0,0,0,0|1,0,0]=3 14490 B12R0.95 CCCNC(=O)CNCCC(C)O 2230a_200000755665_100000183358 [0,2,0,0,0,0|1,0,0]=3 14491 B12R0.95 CCCNC(=O)CNCOC(C)C 2230a_100000174927_100000709892 [0,2,0,0,0,0|2,0,0]=4 14492 B12R0.95 CCCNC(=O)COCCC(=O)C 34a_100000759926_100000183358 [0,2,0,0,0,0|1,0,1]=4 14493 B12R0.95 CCCNC(=O)COCCC(=O)C 7a_100000759926_100000183358 [0,2,0,0,0,0|1,0,1]=4 14494 B12R0.95 CCCNC(=O)COCCC(C)Br 34a_100009893172_100000183358 [0,2,0,0,0,0|1,0,0]=3 14495 B12R0.95 CCCNC(=O)COCCC(C)C 34a_100000210254_100000183358 [0,2,0,0,0,0|1,0,0]=3 14496 B12R0.95 CCCNC(=O)COCCC(C)C 7a_100000210254_100000183358 [0,2,0,0,0,0|1,0,0]=3 14497 B12R0.95 CCCNC(=O)COCCC(F)F 34a_100103093639_100000183358 [0,2,0,0,0,0|2,0,0]=4 14498 B12R0.95 CCCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183358 [0,2,0,0,0,0|1,0,0]=3 14499 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000053229_100000183358 [0,2,0,0,0,0|1,0,1]=4 14500 B12R0.95 CCCNC(=O)CSCCC(=O)C 62a_100000183358_100000053229 [0,2,0,0,0,0|1,0,1]=4 14501 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000183358_100000210312 [0,2,0,0,0,0|1,0,0]=3 14502 B12R0.95 CCCNC(=O)CSCCC(C)C 62a_100000210312_100000183358 [0,2,0,0,0,0|1,0,0]=3 14503 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100000183358_100012276601 [0,2,0,0,0,0|1,0,0]=3 14504 B12R0.95 CCCNC(=O)CSCCC(C)O 62a_100012276601_100000183358 [0,2,0,0,0,0|1,0,0]=3 14505 B12R0.95 CCCNC(=O)CSCCN(C)C 62a_100000183358_100000755713 [0,2,0,0,0,0|2,0,0]=4 14506 B12R0.95 CCCNC(=O)CSCOC(C)C 62a_100000183358_100000709892 [0,2,0,0,0,0|2,0,0]=4 14507 B12R0.95 CCCNC(=O)CSCOC(C)C 62a_100000709892_100000183358 [0,2,0,0,0,0|2,0,0]=4 14508 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14509 B12R0.95 CCCNC(=O)NCCCC(C)C 2708a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14510 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14511 B12R0.95 CCCNC(=O)NCCCC(C)C 273464a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14512 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_100020643023_200000737386 [0,2,0,0,0,0|1,0,0]=3 14513 B12R0.95 CCCNC(=O)NCCCC(C)C 512a_200000737386_100020643023 [0,2,0,0,0,0|1,0,0]=3 14514 B12R0.95 CCCNC(=O)NCCCN(C)C 2708a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14515 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14516 B12R0.95 CCCNC(=O)NCCCN(C)C 273464a_102531767803_100020643023 [0,2,0,0,0,0|2,0,0]=4 14517 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_100020643023_102531767803 [0,2,0,0,0,0|2,0,0]=4 14518 B12R0.95 CCCNC(=O)NCCCN(C)C 512a_102531767803_100020643023 [0,2,0,0,0,0|2,0,0]=4 14519 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14520 B12R0.95 CCCNC(=O)NCCCS(=O)C 2708a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14521 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14522 B12R0.95 CCCNC(=O)NCCCS(=O)C 273464a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14523 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_100020643023_200000753449 [0,2,0,0,0,0|2,0,0]=4 14524 B12R0.95 CCCNC(=O)NCCCS(=O)C 512a_200000753449_100020643023 [0,2,0,0,0,0|2,0,0]=4 14525 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14526 B12R0.95 CCCNC(=O)NCCOC(C)C 2708a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14527 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14528 B12R0.95 CCCNC(=O)NCCOC(C)C 273464a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14529 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100000701111_100020643023 [0,2,0,0,0,0|2,0,0]=4 14530 B12R0.95 CCCNC(=O)NCCOC(C)C 512a_100020643023_100000701111 [0,2,0,0,0,0|2,0,0]=4 14531 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14532 B12R0.95 CCCNC(=O)NCCSC(C)C 2708a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14533 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14534 B12R0.95 CCCNC(=O)NCCSC(C)C 273464a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14535 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100000731138_100020643023 [0,2,0,0,0,0|2,0,0]=4 14536 B12R0.95 CCCNC(=O)NCCSC(C)C 512a_100020643023_100000731138 [0,2,0,0,0,0|2,0,0]=4 14537 B12R0.95 CCCOC(=O)CNCC=C(C)C 34a_100000718196_200011215008 [0,2,0,0,0,0|0,0,2]=4 14538 B12R0.95 CCCOC(=O)CNCCC(C)O 2230a_200000755665_200011215008 [0,2,0,0,0,0|0,0,0]=2 14539 B12R0.95 CCCOC(=O)COCC=C(C)C 34a_100000753907_200011215008 [0,2,0,0,0,0|0,0,2]=4 14540 B12R0.95 CCCOC(=O)COCCC(=O)C 34a_100000759926_200011215008 [0,2,0,0,0,0|0,0,1]=3 14541 B12R0.95 CCCOC(=O)COCCC(=O)C 7a_100000759926_200011215008 [0,2,0,0,0,0|0,0,1]=3 14542 B12R0.95 CCCOC(=O)COCCC(=O)N 34a_100000757172_200011215008 [0,2,0,0,0,0|1,0,1]=4 14543 B12R0.95 CCCOC(=O)COCCC(=O)N 7a_100000757172_200011215008 [0,2,0,0,0,0|1,0,1]=4 14544 B12R0.95 CCCOC(=O)COCCC(C)Br 34a_100009893172_200011215008 [0,2,0,0,0,0|0,0,0]=2 14545 B12R0.95 CCCOC(=O)COCCC(C)C 34a_100000210254_200011215008 [0,2,0,0,0,0|0,0,0]=2 14546 B12R0.95 CCCOC(=O)COCCC(C)C 7a_100000210254_200011215008 [0,2,0,0,0,0|0,0,0]=2 14547 B12R0.95 CCCOC(=O)COCCC(F)F 34a_100103093639_200011215008 [0,2,0,0,0,0|1,0,0]=3 14548 B12R0.95 CCCOC(=O)COCC[C@@H](C)N 34a_100000706166_200011215008 [0,2,0,0,0,0|0,0,0]=2 14549 B12R0.95 CCCOC(=O)CSCC=C(C)C 62a_100000761012_200011215008 [0,2,0,0,0,0|0,0,2]=4 14550 B12R0.95 CCCOC(=O)CSCC=C(C)C 62a_200011215008_100000761012 [0,2,0,0,0,0|0,0,2]=4 14551 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_100000053229_200011215008 [0,2,0,0,0,0|0,0,1]=3 14552 B12R0.95 CCCOC(=O)CSCCC(=O)C 62a_200011215008_100000053229 [0,2,0,0,0,0|0,0,1]=3 14553 B12R0.95 CCCOC(=O)CSCCC(=O)N 62a_100000744528_200011215008 [0,2,0,0,0,0|1,0,1]=4 14554 B12R0.95 CCCOC(=O)CSCCC(=O)N 62a_200011215008_100000744528 [0,2,0,0,0,0|1,0,1]=4 14555 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_100000210312_200011215008 [0,2,0,0,0,0|0,0,0]=2 14556 B12R0.95 CCCOC(=O)CSCCC(C)C 62a_200011215008_100000210312 [0,2,0,0,0,0|0,0,0]=2 14557 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_100012276601_200011215008 [0,2,0,0,0,0|0,0,0]=2 14558 B12R0.95 CCCOC(=O)CSCCC(C)O 62a_200011215008_100012276601 [0,2,0,0,0,0|0,0,0]=2 14559 B12R0.95 CCCOC(=O)CSCCN(C)C 62a_200011215008_100000755713 [0,2,0,0,0,0|1,0,0]=3 14560 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_100000076356_200011215008 [0,2,0,0,0,0|1,0,1]=4 14561 B12R0.95 CCCOC(=O)CSCOC(=O)C 62a_200011215008_100000076356 [0,2,0,0,0,0|1,0,1]=4 14562 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_100000709892_200011215008 [0,2,0,0,0,0|1,0,0]=3 14563 B12R0.95 CCCOC(=O)CSCOC(C)C 62a_200011215008_100000709892 [0,2,0,0,0,0|1,0,0]=3 14564 B12R0.95 CCCOC(=O)OCNCC(C)C 34a_100000210953_200000139673 [0,2,0,0,0,0|1,0,0]=3 14565 B12R0.95 CCCOC(=O)OCNCC(C)O 34a_100000210904_200000139673 [0,2,0,0,0,0|1,0,0]=3 14566 B12R0.95 CCCOC(=O)OCNCC(F)F 34a_100000765723_200000139673 [0,2,0,0,0,0|2,0,0]=4 14567 B12R0.95 CCCOC(=O)OCOCC(=O)C 34a_100000211253_200000139673 [0,2,0,0,0,0|1,0,1]=4 14568 B12R0.95 CCCOC(=O)OCOCC(C)Br 34a_100012180447_200000139673 [0,2,0,0,0,0|1,0,0]=3 14569 B12R0.95 CCCOC(=O)OCOCC(C)C 34a_100000210257_200000139673 [0,2,0,0,0,0|1,0,0]=3 14570 B12R0.95 CCCOC(=O)OCOCC(C)F 34a_100015925927_200000139673 [0,2,0,0,0,0|1,0,0]=3 14571 B12R0.95 CCCOC(=O)OCOCC(F)F 34a_100000743014_200000139673 [0,2,0,0,0,0|2,0,0]=4 14572 B12R0.95 CCCOC(=O)OCOC[C@@H](C)Cl 34a_100016084084_200000139673 [0,2,0,0,0,0|1,0,0]=3 14573 B12R0.95 CCCOC(=O)OCOC[C@@H](C)N 34a_100000737577_200000139673 [0,2,0,0,0,0|1,0,0]=3 14574 B12R0.95 CCCOC(=O)OCSCC(C)C 62a_100000210624_200000139673 [0,2,0,0,0,0|1,0,0]=3 14575 B12R0.95 CCCOC(=O)OCSCC(C)O 62a_100011218427_200000139673 [0,2,0,0,0,0|1,0,0]=3 14576 B12R0.95 CCCOC(=O)OCSCC(F)F 62a_100011934356_200000139673 [0,2,0,0,0,0|2,0,0]=4 14577 B12R0.95 CCCOC(=O)OCSC[C@@H](C)O 62a_100009817552_200000139673 [0,2,0,0,0,0|1,0,0]=3 14578 B12R0.95 CCCOC(C)CNCCC(C)C 2230a_100015185124_100000210312 [0,2,0,0,0,0|1,0,1]=4 14579 B12R0.95 CCCOC(C)CNCCC(C)C 269862a_100015185124_100000185833 [0,2,0,0,0,0|1,0,1]=4 14580 B12R0.95 CCCOC(C)CNCCC(C)C 34a_100015185124_100000210312 [0,2,0,0,0,0|1,0,1]=4 14581 B12R0.95 CCCOC(C)CNCCC(C)O 2230a_100015185124_100012276601 [0,2,0,0,0,0|1,0,1]=4 14582 B12R0.95 CCCOC(C)CNCCC(C)O 34a_100015185124_100012276601 [0,2,0,0,0,0|1,0,1]=4 14583 B12R0.95 CCNNC(=O)CCCCC(C)C 22a_100000756455_100011933920 [0,2,0,0,0,0|2,0,0]=4 14584 B12R0.95 CCNNC(=O)CCCCN(C)C 22a_100000756455_100000751710 [0,2,0,0,0,0|2,0,0]=4 14585 B12R0.95 CCNNC(=O)NCCCC(C)C 273464a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14586 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_100000756455_200000737386 [0,2,0,0,0,0|2,0,0]=4 14587 B12R0.95 CCNNC(=O)NCCCC(C)C 512a_200000737386_100000756455 [0,2,0,0,0,0|2,0,0]=4 14588 B12R0.95 CCOCC(=O)CCCCC(=O)C 1458a_100000211967_100000735457 [0,2,0,0,0,0|2,0,0]=4 14589 B12R0.95 CCOCC(=O)CCCCC(C)C 1458a_100000211967_100011216152 [0,2,0,0,0,0|2,0,0]=4 14590 B12R0.95 CCOCC(=O)NCCCC(C)C 11a_200000737386_100000211967 [0,2,0,0,0,0|2,0,0]=4 14591 B12R0.95 CCOCC(=O)NCCCC(C)C 1626a_200000737386_100000211967 [0,2,0,0,0,0|2,0,0]=4 14592 B12R0.95 CCOCC(=O)NCCCC(C)C 240690a_200000737386_100000211967 [0,2,0,0,0,0|2,0,0]=4 14593 B12R0.95 CCOCC(=O)NCCCC(C)C 527a_200000737386_100000211967 [0,2,0,0,0,0|2,0,0]=4 14594 B12R0.95 CCSCC(=O)CCCCC(=O)C 1458a_100000230394_100000735457 [0,2,0,0,0,0|2,0,0]=4 14595 B12R0.95 CCSCC(=O)CCCCC(C)C 1458a_100000230394_100011216152 [0,2,0,0,0,0|2,0,0]=4 14596 B12R0.95 CCSCC(=O)NCCCC(C)C 11a_200000737386_100000230394 [0,2,0,0,0,0|2,0,0]=4 14597 B12R0.95 CCSCC(=O)NCCCC(C)C 1626a_200000737386_100000230394 [0,2,0,0,0,0|2,0,0]=4 14598 B12R0.95 CCSCC(=O)NCCCC(C)C 240690a_200000737386_100000230394 [0,2,0,0,0,0|2,0,0]=4 14599 B12R0.95 CCSCC(=O)NCCCC(C)C 527a_200000737386_100000230394 [0,2,0,0,0,0|2,0,0]=4 14600 B12R0.95 CN(C)CCCCC(=O)NCCF 11a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14601 B12R0.95 CN(C)CCCCC(=O)NCCF 240690a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14602 B12R0.95 CN(C)CCCCC(=O)NCCF 527a_100000724931_100000751710 [0,2,0,0,0,0|2,0,0]=4 14603 B12R0.95 CN(C)CCCCC(=O)NCCO 240690a_100000210304_100000751710 [0,2,0,0,0,0|2,0,0]=4 14604 B12R0.95 CN(C)CCCCC(=O)NCCO 527a_100000210304_100000751710 [0,2,0,0,0,0|2,0,0]=4 14605 B12R0.95 COCCC(=O)CCCCC(=O)C 1458a_100000749529_100000735457 [0,2,0,0,0,0|2,0,0]=4 14606 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100000749529_100011216152 [0,2,0,0,0,0|2,0,0]=4 14607 B12R0.95 COCCC(=O)CCCCC(C)C 1458a_100011933920_100000233755 [0,2,0,0,0,0|2,0,0]=4 14608 B12R0.95 COCCC(=O)NCCCC(C)C 11a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14609 B12R0.95 COCCC(=O)NCCCC(C)C 1626a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14610 B12R0.95 COCCC(=O)NCCCC(C)C 240690a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14611 B12R0.95 COCCC(=O)NCCCC(C)C 527a_200000737386_100000749529 [0,2,0,0,0,0|2,0,0]=4 14612 B12R0.95 CSCCC(=O)CCCCC(=O)C 1458a_100000174002_100000735457 [0,2,0,0,0,0|2,0,0]=4 14613 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100000174002_100011216152 [0,2,0,0,0,0|2,0,0]=4 14614 B12R0.95 CSCCC(=O)CCCCC(C)C 1458a_100011933920_100000751147 [0,2,0,0,0,0|2,0,0]=4 14615 B12R0.95 CSCCC(=O)NCCCC(C)C 11a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14616 B12R0.95 CSCCC(=O)NCCCC(C)C 1626a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14617 B12R0.95 CSCCC(=O)NCCCC(C)C 240690a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14618 B12R0.95 CSCCC(=O)NCCCC(C)C 527a_200000737386_100000174002 [0,2,0,0,0,0|2,0,0]=4 14619 B12R0.102 C#CC(C)NCOC(=O)OCCC 34a_100000707721_200000139673 [0,2,0,0,0,0|2,0,0]=4 14620 B12R0.102 C#CC(C)SCOC(=O)OCCC 62a_200000035995_200000139673 [0,2,0,0,0,0|2,0,0]=4 14621 B12R0.102 C#C[C@@H](C)OCOC(=O)OCCC 34a_100009815206_200000139673 [0,2,0,0,0,0|2,0,0]=4 14622 B12R0.102 C#C[C@@H](C)OCOC(=O)OCCC 7a_100009815206_200000139673 [0,2,0,0,0,0|2,0,0]=4 14623 B12R0.102 C=C(CSCC(C)CC)OCOC 62a_100000042856_100000748023 [0,2,0,0,0,0|2,0,0]=4 14624 B12R0.102 C=C(CSCC(C)CC)OCOC 62a_100000748023_100000042856 [0,2,0,0,0,0|2,0,0]=4 14625 B12R0.102 C=C(CSCC(O)CC)OCOC 62a_100000042856_100011218378 [0,2,0,0,0,0|2,0,0]=4 14626 B12R0.102 C=C(CSCC(O)CC)OCOC 62a_100011218378_100000042856 [0,2,0,0,0,0|2,0,0]=4 14627 B12R0.102 C=C(CSC[C@@H](C)CC)OCOC 62a_100000042856_100009816398 [0,2,0,0,0,0|2,0,0]=4 14628 B12R0.102 C=C(CSC[C@@H](C)CC)OCOC 62a_100009816398_100000042856 [0,2,0,0,0,0|2,0,0]=4 14629 B12R0.102 C=CC(C)COCC(=O)NCCC 34a_100011215527_100000183358 [0,2,0,0,0,0|2,0,0]=4 14630 B12R0.102 C=CC(C)COCC(=O)NCCC 7a_100011215527_100000183358 [0,2,0,0,0,0|2,0,0]=4 14631 B12R0.102 C=CC(C)COCC(=O)OCCC 34a_100011215527_200011215008 [0,2,0,0,0,0|1,0,0]=3 14632 B12R0.102 C=CC(C)COCC(=O)OCCC 7a_100011215527_200011215008 [0,2,0,0,0,0|1,0,0]=3 14633 B12R0.102 C=CC(C)OCOC(=O)OCCC 34a_100000695699_200000139673 [0,2,0,0,0,0|2,0,0]=4 14634 B12R0.102 C=CC(C)SCOC(=O)OCCC 62a_100011215867_200000139673 [0,2,0,0,0,0|2,0,0]=4 14635 B12R0.102 C=CC(O)CSCC(=O)OCCC 62a_100000730141_200011215008 [0,2,0,0,0,0|0,0,2]=4 14636 B12R0.102 C=CC(O)CSCC(=O)OCCC 62a_200011215008_100000730141 [0,2,0,0,0,0|0,0,2]=4 14637 B12R0.102 C=CCOC(=O)CNCC(C)CC 2230a_100020588543_100000033060 [0,2,0,0,0,0|0,0,2]=4 14638 B12R0.102 C=CCOC(=O)CNCC(O)CC 2230a_100011218483_100000033060 [0,2,0,0,0,0|0,0,2]=4 14639 B12R0.102 C=CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000033060 [0,2,0,0,0,0|0,0,2]=4 14640 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000033060_100000748023 [0,2,0,0,0,0|0,0,2]=4 14641 B12R0.102 C=CCOC(=O)CSCC(C)CC 62a_100000748023_100000033060 [0,2,0,0,0,0|0,0,2]=4 14642 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100000033060_100011218378 [0,2,0,0,0,0|0,0,2]=4 14643 B12R0.102 C=CCOC(=O)CSCC(O)CC 62a_100011218378_100000033060 [0,2,0,0,0,0|0,0,2]=4 14644 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100000033060_100009816398 [0,2,0,0,0,0|0,0,2]=4 14645 B12R0.102 C=CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000033060 [0,2,0,0,0,0|0,0,2]=4 14646 B12R0.102 C=C[C@H](N)COCC(=O)OCCC 34a_100016989147_200011215008 [0,2,0,0,0,0|0,0,2]=4 14647 B12R0.102 CCC#CC(=O)CCCN(C)CC 1458a_100011827653_100015186262 [0,2,0,0,0,0|1,0,1]=4 14648 B12R0.102 CCC(C)CCNC(=O)CCOC 11a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14649 B12R0.102 CCC(C)CCNC(=O)CCOC 1626a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14650 B12R0.102 CCC(C)CCNC(=O)CCOC 240690a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14651 B12R0.102 CCC(C)CCNC(=O)CCOC 527a_100020591266_100000749529 [0,2,0,0,0,0|2,0,0]=4 14652 B12R0.102 CCC(C)CCNC(=O)CCSC 11a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14653 B12R0.102 CCC(C)CCNC(=O)CCSC 1626a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14654 B12R0.102 CCC(C)CCNC(=O)CCSC 240690a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14655 B12R0.102 CCC(C)CCNC(=O)CCSC 527a_100020591266_100000174002 [0,2,0,0,0,0|2,0,0]=4 14656 B12R0.102 CCC(C)CCNC(=O)NCCF 2708a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14657 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100000724931_100020591266 [0,2,0,0,0,0|2,0,0]=4 14658 B12R0.102 CCC(C)CCNC(=O)NCCF 273464a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14659 B12R0.102 CCC(C)CCNC(=O)NCCF 512a_100020591266_100000724931 [0,2,0,0,0,0|2,0,0]=4 14660 B12R0.102 CCC(C)CCNC(=O)NCCO 2708a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14661 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100000210304_100020591266 [0,2,0,0,0,0|2,0,0]=4 14662 B12R0.102 CCC(C)CCNC(=O)NCCO 273464a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14663 B12R0.102 CCC(C)CCNC(=O)NCCO 512a_100020591266_100000210304 [0,2,0,0,0,0|2,0,0]=4 14664 B12R0.102 CCC(C)CNCC(=O)NCCF 2230a_100000725713_100000748023 [0,2,0,0,0,0|2,0,0]=4 14665 B12R0.102 CCC(C)CNCC(=O)NCCF 270004a_100000725713_100000243153 [0,2,0,0,0,0|2,0,0]=4 14666 B12R0.102 CCC(O)CNCC(=O)NCCF 2230a_100000725713_100011218378 [0,2,0,0,0,0|2,0,0]=4 14667 B12R0.102 CCC=CC(=O)CCCN(C)CC 1458a_100000212282_100015186262 [0,2,0,0,0,0|1,0,1]=4 14668 B12R0.102 CCC=CC(=O)NCCC(C)CC 11a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14669 B12R0.102 CCC=CC(=O)NCCC(C)CC 1626a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14670 B12R0.102 CCC=CC(=O)NCCC(C)CC 240690a_100020591266_100000212282 [0,2,0,0,0,0|1,0,1]=4 14671 B12R0.102 CCCCC(=O)CCCC(=O)NC 1458a_100000210183_100000741757 [0,2,0,0,0,0|1,0,1]=4 14672 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000210183_100011218270 [0,2,0,0,0,0|1,0,1]=4 14673 B12R0.102 CCCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210211 [0,2,0,0,0,0|1,0,1]=4 14674 B12R0.102 CCCCC(=O)CCCN(C)CC 1458a_100000210183_100015186262 [0,2,0,0,0,0|1,0,0]=3 14675 B12R0.102 CCCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210211 [0,2,0,0,0,0|2,0,0]=4 14676 B12R0.102 CCCCC(=O)NCCC(C)CC 11a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14677 B12R0.102 CCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14678 B12R0.102 CCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14679 B12R0.102 CCCCC(=O)NCCC(C)CC 527a_100020591266_100000210183 [0,2,0,0,0,0|1,0,0]=3 14680 B12R0.102 CCCCC(=O)NCCC(C)CO 240690a_106354213184_100000210183 [0,2,0,0,0,0|2,0,0]=4 14681 B12R0.102 CCCCC(=O)NCCC(C)CO 527a_106354213184_100000210183 [0,2,0,0,0,0|2,0,0]=4 14682 B12R0.102 CCCCC(=O)NNCC(O)CC 22a_100015206393_100000210183 [0,2,0,0,0,0|2,0,0]=4 14683 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000199544_100000210202 [0,2,0,0,0,0|1,0,0]=3 14684 B12R0.102 CCCNC(=O)CCCC(=O)CC 1458a_100000210414_100011194427 [0,2,0,0,0,0|1,0,0]=3 14685 B12R0.102 CCCNC(=O)CCCC(=O)CF 1458a_100000199544_100015361967 [0,2,0,0,0,0|1,0,1]=4 14686 B12R0.102 CCCNC(=O)CCCC(=O)CO 1458a_100000210174_100011194427 [0,2,0,0,0,0|1,0,1]=4 14687 B12R0.102 CCCNC(=O)CCCC(=O)NC 11a_106832991635_100000199544 [0,2,0,0,0,0|1,0,1]=4 14688 B12R0.102 CCCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 14689 B12R0.102 CCCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 14690 B12R0.102 CCCNC(=O)CCCC(=O)NC 527a_100102657272_100000199544 [0,2,0,0,0,0|1,0,1]=4 14691 B12R0.102 CCCNC(=O)CCCC(=O)OC 11a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 14692 B12R0.102 CCCNC(=O)CCCC(=O)OC 1626a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 14693 B12R0.102 CCCNC(=O)CCCC(=O)OC 240690a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 14694 B12R0.102 CCCNC(=O)CCCC(=O)OC 527a_100020643023_100000239890 [0,2,0,0,0,0|1,0,1]=4 14695 B12R0.102 CCCNC(=O)CCCN(C)CC 2230a_100000225621_100011194427 [0,2,0,0,0,0|1,0,0]=3 14696 B12R0.102 CCCNC(=O)CCCN(C)CC 269982a_100000225621_100011194427 [0,2,0,0,0,0|1,0,0]=3 14697 B12R0.102 CCCNC(=O)CCCN(C)N=O 11a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 14698 B12R0.102 CCCNC(=O)CCCN(C)N=O 1626a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 14699 B12R0.102 CCCNC(=O)CCCN(C)N=O 240690a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 14700 B12R0.102 CCCNC(=O)CCCN(C)N=O 527a_100020643023_200000076914 [0,2,0,0,0,0|2,0,0]=4 14701 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100000174927_100000748023 [0,2,0,0,0,0|1,0,0]=3 14702 B12R0.102 CCCNC(=O)CNCC(C)CC 2230a_100020588543_100000183358 [0,2,0,0,0,0|1,0,0]=3 14703 B12R0.102 CCCNC(=O)CNCC(C)CC 270004a_100000174927_100000243153 [0,2,0,0,0,0|1,0,0]=3 14704 B12R0.102 CCCNC(=O)CNCC(C)CO 34a_100000744482_100000183358 [0,2,0,0,0,0|2,0,0]=4 14705 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100000174927_100011218378 [0,2,0,0,0,0|1,0,0]=3 14706 B12R0.102 CCCNC(=O)CNCC(O)CC 2230a_100011218483_100000183358 [0,2,0,0,0,0|1,0,0]=3 14707 B12R0.102 CCCNC(=O)CNCC(O)CO 2230a_100000174927_100011219619 [0,2,0,0,0,0|2,0,0]=4 14708 B12R0.102 CCCNC(=O)CNC[C@@H](C)CC 2230a_100000174927_100009816398 [0,2,0,0,0,0|1,0,0]=3 14709 B12R0.102 CCCNC(=O)CNC[C@@H](C)CO 2230a_100000174927_100000059175 [0,2,0,0,0,0|2,0,0]=4 14710 B12R0.102 CCCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183358 [0,2,0,0,0,0|2,0,0]=4 14711 B12R0.102 CCCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183358 [0,2,0,0,0,0|2,0,0]=4 14712 B12R0.102 CCCNC(=O)CNC[C@@H](O)CF 2230a_100000174927_100015614560 [0,2,0,0,0,0|2,0,0]=4 14713 B12R0.102 CCCNC(=O)CNC[C@@H](O)CO 2230a_100000174927_100009815848 [0,2,0,0,0,0|2,0,0]=4 14714 B12R0.102 CCCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183358 [0,2,0,0,0,0|2,0,0]=4 14715 B12R0.102 CCCNC(=O)COCC(=O)CC 34a_100000725409_100000183358 [0,2,0,0,0,0|1,0,1]=4 14716 B12R0.102 CCCNC(=O)COCC(C)CN 34a_100000744482_100000183358 [0,2,0,0,0,0|2,0,0]=4 14717 B12R0.102 CCCNC(=O)COCC(C)OC 34a_100000690652_100000183358 [0,2,0,0,0,0|2,0,0]=4 14718 B12R0.102 CCCNC(=O)COCC(Cl)CCl 34a_100000033668_100000183358 [0,2,0,0,0,0|2,0,0]=4 14719 B12R0.102 CCCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183358 [0,2,0,0,0,0|1,0,0]=3 14720 B12R0.102 CCCNC(=O)COC[C@H](F)CN 34a_100015665980_100000183358 [0,2,0,0,0,0|2,0,0]=4 14721 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000183358_100000747405 [0,2,0,0,0,0|1,0,1]=4 14722 B12R0.102 CCCNC(=O)CSCC(=O)CC 62a_100000747405_100000183358 [0,2,0,0,0,0|1,0,1]=4 14723 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000183358_100000748023 [0,2,0,0,0,0|1,0,0]=3 14724 B12R0.102 CCCNC(=O)CSCC(C)CC 62a_100000748023_100000183358 [0,2,0,0,0,0|1,0,0]=3 14725 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100000183358_100011218378 [0,2,0,0,0,0|1,0,0]=3 14726 B12R0.102 CCCNC(=O)CSCC(O)CC 62a_100011218378_100000183358 [0,2,0,0,0,0|1,0,0]=3 14727 B12R0.102 CCCNC(=O)CSCC(O)CO 62a_100000183358_100011219619 [0,2,0,0,0,0|2,0,0]=4 14728 B12R0.102 CCCNC(=O)CSCC(O)CO 62a_100011219619_100000183358 [0,2,0,0,0,0|2,0,0]=4 14729 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100000183358_100009816398 [0,2,0,0,0,0|1,0,0]=3 14730 B12R0.102 CCCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183358 [0,2,0,0,0,0|1,0,0]=3 14731 B12R0.102 CCCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183358 [0,2,0,0,0,0|2,0,0]=4 14732 B12R0.102 CCCNC(=O)CSC[C@@H](C)CO 62a_100000183358_100000059175 [0,2,0,0,0,0|2,0,0]=4 14733 B12R0.102 CCCNC(=O)CSC[C@@H](O)CF 62a_100000183358_100015614560 [0,2,0,0,0,0|2,0,0]=4 14734 B12R0.102 CCCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183358 [0,2,0,0,0,0|2,0,0]=4 14735 B12R0.102 CCCNC(=O)CSC[C@@H](O)CO 62a_100000183358_100009815848 [0,2,0,0,0,0|2,0,0]=4 14736 B12R0.102 CCCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183358 [0,2,0,0,0,0|2,0,0]=4 14737 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14738 B12R0.102 CCCNC(=O)NCCC(C)CC 2708a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14739 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14740 B12R0.102 CCCNC(=O)NCCC(C)CC 273464a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14741 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020591266_100020643023 [0,2,0,0,0,0|1,0,0]=3 14742 B12R0.102 CCCNC(=O)NCCC(C)CC 512a_100020643023_100020591266 [0,2,0,0,0,0|1,0,0]=3 14743 B12R0.102 CCCNC(=O)NCCC(C)CO 2708a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14744 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14745 B12R0.102 CCCNC(=O)NCCC(C)CO 273464a_106354213184_100020643023 [0,2,0,0,0,0|2,0,0]=4 14746 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_100020643023_106354213184 [0,2,0,0,0,0|2,0,0]=4 14747 B12R0.102 CCCNC(=O)NCCC(C)CO 512a_106354213184_100020643023 [0,2,0,0,0,0|2,0,0]=4 14748 B12R0.102 CCCNC(=O)NNCC(O)CC 273464a_100020643023_100015206393 [0,2,0,0,0,0|2,0,0]=4 14749 B12R0.102 CCCNC(=O)NNCC(O)CC 512a_100015206393_100020643023 [0,2,0,0,0,0|2,0,0]=4 14750 B12R0.102 CCCNC(=O)NNCC(O)CC 512a_100020643023_100015206393 [0,2,0,0,0,0|2,0,0]=4 14751 B12R0.102 CCCOC(=O)CNCC(=O)NC 2230a_100000693194_200011215008 [0,2,0,0,0,0|1,0,1]=4 14752 B12R0.102 CCCOC(=O)CNCC(C)CC 2230a_100020588543_200011215008 [0,2,0,0,0,0|0,0,0]=2 14753 B12R0.102 CCCOC(=O)CNCC(C)CO 34a_100000744482_200011215008 [0,2,0,0,0,0|1,0,0]=3 14754 B12R0.102 CCCOC(=O)CNCC(O)CC 2230a_100011218483_200011215008 [0,2,0,0,0,0|0,0,0]=2 14755 B12R0.102 CCCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_200011215008 [0,2,0,0,0,0|1,0,0]=3 14756 B12R0.102 CCCOC(=O)CNC[C@@H](F)CO 34a_100015665980_200011215008 [0,2,0,0,0,0|1,0,0]=3 14757 B12R0.102 CCCOC(=O)CNC[C@H](O)CO 2230a_100020644852_200011215008 [0,2,0,0,0,0|1,0,0]=3 14758 B12R0.102 CCCOC(=O)COCC(=O)CC 34a_100000725409_200011215008 [0,2,0,0,0,0|0,0,1]=3 14759 B12R0.102 CCCOC(=O)COCC(=O)NC 34a_100000750040_200011215008 [0,2,0,0,0,0|1,0,1]=4 14760 B12R0.102 CCCOC(=O)COCC(C)CN 34a_100000744482_200011215008 [0,2,0,0,0,0|1,0,0]=3 14761 B12R0.102 CCCOC(=O)COCC(C)OC 34a_100000690652_200011215008 [0,2,0,0,0,0|1,0,0]=3 14762 B12R0.102 CCCOC(=O)COCC(Cl)CCl 34a_100000033668_200011215008 [0,2,0,0,0,0|1,0,0]=3 14763 B12R0.102 CCCOC(=O)COC[C@@H](C)CC 7a_100009816381_200011215008 [0,2,0,0,0,0|0,0,0]=2 14764 B12R0.102 CCCOC(=O)COC[C@H](F)CN 34a_100015665980_200011215008 [0,2,0,0,0,0|1,0,0]=3 14765 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_100000747405_200011215008 [0,2,0,0,0,0|0,0,1]=3 14766 B12R0.102 CCCOC(=O)CSCC(=O)CC 62a_200011215008_100000747405 [0,2,0,0,0,0|0,0,1]=3 14767 B12R0.102 CCCOC(=O)CSCC(=O)NC 62a_100000183359_200011215008 [0,2,0,0,0,0|1,0,1]=4 14768 B12R0.102 CCCOC(=O)CSCC(=O)NC 62a_200011215008_100000183359 [0,2,0,0,0,0|1,0,1]=4 14769 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_100000747449_200011215008 [0,2,0,0,0,0|1,0,1]=4 14770 B12R0.102 CCCOC(=O)CSCC(=O)OC 62a_200011215008_100000747449 [0,2,0,0,0,0|1,0,1]=4 14771 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_100000748023_200011215008 [0,2,0,0,0,0|0,0,0]=2 14772 B12R0.102 CCCOC(=O)CSCC(C)CC 62a_200011215008_100000748023 [0,2,0,0,0,0|0,0,0]=2 14773 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_100011218378_200011215008 [0,2,0,0,0,0|0,0,0]=2 14774 B12R0.102 CCCOC(=O)CSCC(O)CC 62a_200011215008_100011218378 [0,2,0,0,0,0|0,0,0]=2 14775 B12R0.102 CCCOC(=O)CSCC(O)CO 62a_100011219619_200011215008 [0,2,0,0,0,0|1,0,0]=3 14776 B12R0.102 CCCOC(=O)CSCC(O)CO 62a_200011215008_100011219619 [0,2,0,0,0,0|1,0,0]=3 14777 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_100009816398_200011215008 [0,2,0,0,0,0|0,0,0]=2 14778 B12R0.102 CCCOC(=O)CSC[C@@H](C)CC 62a_200011215008_100009816398 [0,2,0,0,0,0|0,0,0]=2 14779 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_100000059175_200011215008 [0,2,0,0,0,0|1,0,0]=3 14780 B12R0.102 CCCOC(=O)CSC[C@@H](C)CO 62a_200011215008_100000059175 [0,2,0,0,0,0|1,0,0]=3 14781 B12R0.102 CCCOC(=O)CSC[C@@H](O)CF 62a_100015614560_200011215008 [0,2,0,0,0,0|1,0,0]=3 14782 B12R0.102 CCCOC(=O)CSC[C@@H](O)CF 62a_200011215008_100015614560 [0,2,0,0,0,0|1,0,0]=3 14783 B12R0.102 CCCOC(=O)CSC[C@@H](O)CO 62a_100009815848_200011215008 [0,2,0,0,0,0|1,0,0]=3 14784 B12R0.102 CCCOC(=O)CSC[C@@H](O)CO 62a_200011215008_100009815848 [0,2,0,0,0,0|1,0,0]=3 14785 B12R0.102 CCCOC(=O)OCOC(C)C#N 34a_100011218135_200000139673 [0,2,0,0,0,0|2,0,0]=4 14786 B12R0.102 CCCOC(=O)OCOC(C)CC 7a_100000210228_200000139673 [0,2,0,0,0,0|1,0,0]=3 14787 B12R0.102 CCCOC(=O)OCOC(C)CF 34a_100016041109_200000139673 [0,2,0,0,0,0|2,0,0]=4 14788 B12R0.102 CCCOC(=O)OCOC(C)CF 7a_100016041109_200000139673 [0,2,0,0,0,0|2,0,0]=4 14789 B12R0.102 CCCOC(=O)OCOC(C)CN 34a_100000210904_200000139673 [0,2,0,0,0,0|2,0,0]=4 14790 B12R0.102 CCCOC(=O)OCSC(C)C#N 62a_100000703298_200000139673 [0,2,0,0,0,0|2,0,0]=4 14791 B12R0.102 CCCOC(=O)OCSC(C)CC 62a_100000758301_200000139673 [0,2,0,0,0,0|1,0,0]=3 14792 B12R0.102 CCCOC(=O)OCSC(C)CO 62a_100012180447_200000139673 [0,2,0,0,0,0|2,0,0]=4 14793 B12R0.102 CCCOC(=O)OCSC(C)OC 62a_100009879195_200000139673 [0,2,0,0,0,0|2,0,0]=4 14794 B12R0.102 CCCOC(=O)OCS[C@H](C)CO 62a_100016084084_200000139673 [0,2,0,0,0,0|2,0,0]=4 14795 B12R0.102 CCCOC(C)CNCC(C)CC 2230a_100015185124_100000748023 [0,2,0,0,0,0|1,0,1]=4 14796 B12R0.102 CCCOC(C)CNCC(C)CC 270004a_100015185124_100000243153 [0,2,0,0,0,0|1,0,1]=4 14797 B12R0.102 CCCOC(C)CNCC(C)CC 34a_100015185124_100000748023 [0,2,0,0,0,0|1,0,1]=4 14798 B12R0.102 CCCOC(C)CNCC(O)CC 2230a_100015185124_100011218378 [0,2,0,0,0,0|1,0,1]=4 14799 B12R0.102 CCCOC(C)CNCC(O)CC 34a_100015185124_100011218378 [0,2,0,0,0,0|1,0,1]=4 14800 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 2230a_100015185124_100009816398 [0,2,0,0,0,0|1,0,1]=4 14801 B12R0.102 CCCOC(C)CNC[C@@H](C)CC 34a_100015185124_100009816398 [0,2,0,0,0,0|1,0,1]=4 14802 B12R0.102 CCN(C)CCCC(=O)CCOC 1458a_100000749529_100015186262 [0,2,0,0,0,0|2,0,0]=4 14803 B12R0.102 CCN(C)CCCC(=O)CCSC 1458a_100000174002_100015186262 [0,2,0,0,0,0|2,0,0]=4 14804 B12R0.102 CCNNC(=O)NCCC(C)CC 273464a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14805 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100000756455_100020591266 [0,2,0,0,0,0|2,0,0]=4 14806 B12R0.102 CCNNC(=O)NCCC(C)CC 512a_100020591266_100000756455 [0,2,0,0,0,0|2,0,0]=4 14807 B12R0.102 CCOCC(=O)CCCN(C)CC 1458a_100000211967_100015186262 [0,2,0,0,0,0|2,0,0]=4 14808 B12R0.102 CCOCC(=O)NCCC(C)CC 11a_100020591266_100000211967 [0,2,0,0,0,0|2,0,0]=4 14809 B12R0.102 CCOCC(=O)NCCC(C)CC 1626a_100020591266_100000211967 [0,2,0,0,0,0|2,0,0]=4 14810 B12R0.102 CCOCC(=O)NCCC(C)CC 240690a_100020591266_100000211967 [0,2,0,0,0,0|2,0,0]=4 14811 B12R0.102 CCOCC(=O)NCCC(C)CC 527a_100020591266_100000211967 [0,2,0,0,0,0|2,0,0]=4 14812 B12R0.102 CCSCC(=O)CCCN(C)CC 1458a_100000230394_100015186262 [0,2,0,0,0,0|2,0,0]=4 14813 B12R0.102 CCSCC(=O)NCCC(C)CC 11a_100020591266_100000230394 [0,2,0,0,0,0|2,0,0]=4 14814 B12R0.102 CCSCC(=O)NCCC(C)CC 1626a_100020591266_100000230394 [0,2,0,0,0,0|2,0,0]=4 14815 B12R0.102 CCSCC(=O)NCCC(C)CC 240690a_100020591266_100000230394 [0,2,0,0,0,0|2,0,0]=4 14816 B12R0.102 CCSCC(=O)NCCC(C)CC 527a_100020591266_100000230394 [0,2,0,0,0,0|2,0,0]=4 14817 B12R0.102 CC[C@H](C)CNCC(=O)NCCF 2230a_100000725713_100009816398 [0,2,0,0,0,0|2,0,0]=4 14818 B12R0.111 C#CC(CCCCCBr)OCCC 34a_200010408556_100000210303 [0,2,0,0,0,0|1,0,1]=4 14819 B12R0.111 C#CC(CCCCCBr)OCCC 7a_200010408556_100000210303 [0,2,0,0,0,0|1,0,1]=4 14820 B12R0.111 C=CC(CCCCCC)OCCC 34a_200011215977_100000210303 [0,2,0,0,0,0|1,0,1]=4 14821 B12R0.111 C=CC(CCCCCC)OCCC 7a_200011215977_100000210303 [0,2,0,0,0,0|1,0,1]=4 14822 B12R0.111 CCC/C=C(\CC)/CNCCCC 269862a_100000102301_100020616858 [0,2,0,0,0,0|2,0,0]=4 14823 B12R0.111 CCC/C=C(\CC)/COCCCC 34a_200015372368_100000210210 [0,2,0,0,0,0|2,0,0]=4 14824 B12R0.111 CCC/C=C(\CC)/COCCCC 7a_200015372368_100000210211 [0,2,0,0,0,0|2,0,0]=4 14825 B12R0.111 CCCCCCC(CC)OCCC 34a_100011215785_100000210303 [0,2,0,0,0,0|1,0,1]=4 14826 B12R0.111 CCCCCCC(CC)OCCC 7a_100011215785_100000210303 [0,2,0,0,0,0|1,0,1]=4 14827 B12R0.111 CCCCN(CCCCOC)N=O 34a_200000034022_200000210301 [0,2,0,0,0,0|2,0,0]=4 14828 B12R0.111 CCCCN(CCCCOC)N=O 7a_200000034022_200000210301 [0,2,0,0,0,0|2,0,0]=4 14829 B12R0.111 CCCCN(CCCCO[13CH3])N=O 34a_200000034022_200025704644 [0,2,0,0,0,0|2,0,0]=4 14830 B12R0.111 CCCCN(CCCCO[13CH3])N=O 7a_200000034022_200025704644 [0,2,0,0,0,0|2,0,0]=4 14831 B12R0.113 C#CCCCCC(=O)CC(C)CC 1458a_100000696528_100000748023 [0,2,0,0,0,0|1,0,1]=4 14832 B12R0.113 C#CCCCCC(=O)CC(C)CC 1458a_100000708755_100010269958 [0,2,0,0,0,0|1,0,1]=4 14833 B12R0.113 C#CCCCCC(=O)CC(O)CC 1458a_100000696528_100011218378 [0,2,0,0,0,0|1,0,1]=4 14834 B12R0.113 C#CCCCCC(=O)CC(O)CC 1458a_100011667805_100010269958 [0,2,0,0,0,0|1,0,1]=4 14835 B12R0.113 C#CCCCCC(=O)C[C@@H](C)CC 1458a_100000696528_100009816398 [0,2,0,0,0,0|1,0,1]=4 14836 B12R0.113 C#CCCCCC(=O)NC(C)CC 11a_100000209981_100000696528 [0,2,0,0,0,0|1,0,1]=4 14837 B12R0.113 C#CCCCCC(=O)NC(C)CC 1626a_100000209981_100000696528 [0,2,0,0,0,0|1,0,1]=4 14838 B12R0.113 C#CCCCCC(=O)NC(C)CC 240690a_100000209981_100000696528 [0,2,0,0,0,0|1,0,1]=4 14839 B12R0.113 C#CCCCCC(=O)NC(C)CC 527a_100000209981_100000696528 [0,2,0,0,0,0|1,0,1]=4 14840 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100000708755_100011215482 [0,2,0,0,0,0|1,0,1]=4 14841 B12R0.113 C=CCCCCC(=O)CC(C)CC 1458a_100011215552_100000748023 [0,2,0,0,0,0|1,0,1]=4 14842 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011215552_100011218378 [0,2,0,0,0,0|1,0,1]=4 14843 B12R0.113 C=CCCCCC(=O)CC(O)CC 1458a_100011667805_100011215482 [0,2,0,0,0,0|1,0,1]=4 14844 B12R0.113 C=CCCCCC(=O)C[C@@H](C)CC 1458a_100011215552_100009816398 [0,2,0,0,0,0|1,0,1]=4 14845 B12R0.113 C=CCCCCC(=O)NC(C)CC 11a_100000209981_100011215552 [0,2,0,0,0,0|1,0,1]=4 14846 B12R0.113 C=CCCCCC(=O)NC(C)CC 1626a_100000209981_100011215552 [0,2,0,0,0,0|1,0,1]=4 14847 B12R0.113 C=CCCCCC(=O)NC(C)CC 240690a_100000209981_100011215552 [0,2,0,0,0,0|1,0,1]=4 14848 B12R0.113 C=CCCCCC(=O)NC(C)CC 527a_100000209981_100011215552 [0,2,0,0,0,0|1,0,1]=4 14849 B12R0.113 CC/C=C\CCC(=O)CC(C)CC 1458a_100000708755_100015370543 [0,2,0,0,0,0|1,0,1]=4 14850 B12R0.113 CC/C=C\CCC(=O)CC(O)CC 1458a_100011667805_100015370543 [0,2,0,0,0,0|1,0,1]=4 14851 B12R0.113 CCC(=CC(=O)CCCCCF)C 1458a_100020758463_100000729378 [0,2,0,0,0,0|1,0,1]=4 14852 B12R0.113 CCC(=CC(=O)CCCCCO)C 1458a_100020758463_100000746330 [0,2,0,0,0,0|1,0,1]=4 14853 B12R0.113 CCC(=CC(=O)CCCCOC)C 1458a_100020758463_100000755781 [0,2,0,0,0,0|1,0,1]=4 14854 B12R0.113 CCC(=O)CC(=O)CCCCCO 1458a_100102619762_100000747405 [0,2,0,0,0,0|1,0,1]=4 14855 B12R0.113 CCC(C)CC(=O)CCCCC#N 1458a_100000708755_100000211819 [0,2,0,0,0,0|1,0,1]=4 14856 B12R0.113 CCC(C)CC(=O)CCCCCF 1458a_100000708755_100000729378 [0,2,0,0,0,0|1,0,0]=3 14857 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100000708755_100000746330 [0,2,0,0,0,0|1,0,0]=3 14858 B12R0.113 CCC(C)CC(=O)CCCCCO 1458a_100102619762_100000748023 [0,2,0,0,0,0|1,0,0]=3 14859 B12R0.113 CCC(C)CC(=O)CCCCOC 1458a_100000708755_100000755781 [0,2,0,0,0,0|1,0,0]=3 14860 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100000708755_100011215305 [0,2,0,0,0,0|2,0,0]=4 14861 B12R0.113 CCC(C)CC(=O)CCOCCO 1458a_100011229844_100000748023 [0,2,0,0,0,0|2,0,0]=4 14862 B12R0.113 CCC(C)CC(=O)COCCOC 1458a_100000211095_100000748023 [0,2,0,0,0,0|2,0,0]=4 14863 B12R0.113 CCC(C)CC(=O)NCCCCO 240690a_100000750430_100000708755 [0,2,0,0,0,0|2,0,0]=4 14864 B12R0.113 CCC(C)CC(=O)NCCCCO 527a_100000750430_100000708755 [0,2,0,0,0,0|2,0,0]=4 14865 B12R0.113 CCC(C)CC(=O)NCCCOC 1626a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 14866 B12R0.113 CCC(C)CC(=O)NCCCOC 240690a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 14867 B12R0.113 CCC(C)CC(=O)NCCCOC 527a_100150723488_100000708755 [0,2,0,0,0,0|2,0,0]=4 14868 B12R0.113 CCC(C)CC(=O)NCCCSC 11a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 14869 B12R0.113 CCC(C)CC(=O)NCCCSC 1626a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 14870 B12R0.113 CCC(C)CC(=O)NCCCSC 240690a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 14871 B12R0.113 CCC(C)CC(=O)NCCCSC 527a_100000749238_100000708755 [0,2,0,0,0,0|2,0,0]=4 14872 B12R0.113 CCC(C)NC(=O)CCCCCO 240690a_100000209981_100102619762 [0,2,0,0,0,0|1,0,0]=3 14873 B12R0.113 CCC(C)NC(=O)CCOCCO 1626a_100000209981_100011229844 [0,2,0,0,0,0|2,0,0]=4 14874 B12R0.113 CCC(C)NC(=O)CCOCCO 240690a_100000209981_100011229844 [0,2,0,0,0,0|2,0,0]=4 14875 B12R0.113 CCC(C)NC(=O)CNCCCF 2230a_100015189416_100000182745 [0,2,0,0,0,0|2,0,0]=4 14876 B12R0.113 CCC(C)NC(=O)CNCCCF 34a_100015189416_100000182745 [0,2,0,0,0,0|2,0,0]=4 14877 B12R0.113 CCC(C)NC(=O)CNCCOC 2230a_100000209980_100000182745 [0,2,0,0,0,0|2,0,0]=4 14878 B12R0.113 CCC(C)NC(=O)CNCCSC 2230a_100020590264_100000182745 [0,2,0,0,0,0|2,0,0]=4 14879 B12R0.113 CCC(C)NC(=O)COCCCBr 34a_100011217188_100000182745 [0,2,0,0,0,0|2,0,0]=4 14880 B12R0.113 CCC(C)NC(=O)COCCCCl 34a_100000230001_100000182745 [0,2,0,0,0,0|2,0,0]=4 14881 B12R0.113 CCC(C)NC(=O)COCCCF 34a_100000759539_100000182745 [0,2,0,0,0,0|2,0,0]=4 14882 B12R0.113 CCC(C)NC(=O)COCCCN 34a_100000182051_100000182745 [0,2,0,0,0,0|2,0,0]=4 14883 B12R0.113 CCC(C)NC(=O)COCCOC 11a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 14884 B12R0.113 CCC(C)NC(=O)COCCOC 1626a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 14885 B12R0.113 CCC(C)NC(=O)COCCOC 240690a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 14886 B12R0.113 CCC(C)NC(=O)COCCOC 34a_100000210237_100000182745 [0,2,0,0,0,0|2,0,0]=4 14887 B12R0.113 CCC(C)NC(=O)COCCOC 527a_100000209981_100000211095 [0,2,0,0,0,0|2,0,0]=4 14888 B12R0.113 CCC(C)NC(=O)COCCSC 34a_100000230434_100000182745 [0,2,0,0,0,0|2,0,0]=4 14889 B12R0.113 CCC(C)NC(=O)COCCSC 7a_100000230434_100000182745 [0,2,0,0,0,0|2,0,0]=4 14890 B12R0.113 CCC(C)NC(=O)CSCCCF 62a_100000182745_100011934791 [0,2,0,0,0,0|2,0,0]=4 14891 B12R0.113 CCC(C)NC(=O)CSCCCF 62a_100011934791_100000182745 [0,2,0,0,0,0|2,0,0]=4 14892 B12R0.113 CCC(C)NC(=O)CSCCCO 62a_100000182745_100011215043 [0,2,0,0,0,0|2,0,0]=4 14893 B12R0.113 CCC(C)NC(=O)CSCCCO 62a_100011215043_100000182745 [0,2,0,0,0,0|2,0,0]=4 14894 B12R0.113 CCC(C)NC(=O)CSCCOC 62a_100000182745_100000233755 [0,2,0,0,0,0|2,0,0]=4 14895 B12R0.113 CCC(C)NC(=O)CSCCOC 62a_100000233755_100000182745 [0,2,0,0,0,0|2,0,0]=4 14896 B12R0.113 CCC(C)NC(=O)CSCCSC 62a_100000182745_100000751147 [0,2,0,0,0,0|2,0,0]=4 14897 B12R0.113 CCC(C)NC(=O)CSCCSC 62a_100000212216_100000182745 [0,2,0,0,0,0|2,0,0]=4 14898 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 14899 B12R0.113 CCC(C)NC(=O)NCCCCO 2708a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 14900 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 14901 B12R0.113 CCC(C)NC(=O)NCCCCO 273464a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 14902 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000209981_100000750430 [0,2,0,0,0,0|2,0,0]=4 14903 B12R0.113 CCC(C)NC(=O)NCCCCO 512a_100000750430_100000209981 [0,2,0,0,0,0|2,0,0]=4 14904 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 14905 B12R0.113 CCC(C)NC(=O)NCCCOC 2708a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 14906 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 14907 B12R0.113 CCC(C)NC(=O)NCCCOC 273464a_100150723488_100000209981 [0,2,0,0,0,0|2,0,0]=4 14908 B12R0.113 CCC(C)NC(=O)NCCCOC 512a_100000209981_100150723488 [0,2,0,0,0,0|2,0,0]=4 14909 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 14910 B12R0.113 CCC(C)NC(=O)NCCCSC 2708a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 14911 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 14912 B12R0.113 CCC(C)NC(=O)NCCCSC 273464a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 14913 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000209981_100000749238 [0,2,0,0,0,0|2,0,0]=4 14914 B12R0.113 CCC(C)NC(=O)NCCCSC 512a_100000749238_100000209981 [0,2,0,0,0,0|2,0,0]=4 14915 B12R0.113 CCC(O)CC(=O)CCCCC#N 1458a_100011667805_100000211819 [0,2,0,0,0,0|1,0,1]=4 14916 B12R0.113 CCC(O)CC(=O)CCCCCF 1458a_100011667805_100000729378 [0,2,0,0,0,0|1,0,0]=3 14917 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100011667805_100000746330 [0,2,0,0,0,0|1,0,0]=3 14918 B12R0.113 CCC(O)CC(=O)CCCCCO 1458a_100102619762_100011218378 [0,2,0,0,0,0|1,0,0]=3 14919 B12R0.113 CCC(O)CC(=O)CCCCOC 1458a_100011667805_100000755781 [0,2,0,0,0,0|1,0,0]=3 14920 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011229844_100011218378 [0,2,0,0,0,0|2,0,0]=4 14921 B12R0.113 CCC(O)CC(=O)CCOCCO 1458a_100011667805_100011215305 [0,2,0,0,0,0|2,0,0]=4 14922 B12R0.113 CCC(O)CC(=O)COCCOC 1458a_100000211095_100011218378 [0,2,0,0,0,0|2,0,0]=4 14923 B12R0.113 CCC(O)CC(=O)NCCCCO 240690a_100000750430_100011667805 [0,2,0,0,0,0|2,0,0]=4 14924 B12R0.113 CCC(O)CC(=O)NCCCOC 1626a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 14925 B12R0.113 CCC(O)CC(=O)NCCCOC 240690a_100150723488_100011667805 [0,2,0,0,0,0|2,0,0]=4 14926 B12R0.113 CCC(O)CC(=O)NCCCSC 1626a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 14927 B12R0.113 CCC(O)CC(=O)NCCCSC 240690a_100000749238_100011667805 [0,2,0,0,0,0|2,0,0]=4 14928 B12R0.113 CCC/C=C/CC(=O)CC(C)CC 1458a_200016266809_100000748023 [0,2,0,0,0,0|1,0,1]=4 14929 B12R0.113 CCC/C=C/CC(=O)CC(O)CC 1458a_200016266809_100011218378 [0,2,0,0,0,0|1,0,1]=4 14930 B12R0.113 CCC/C=C/CC(=O)C[C@@H](C)CC 1458a_200016266809_100009816398 [0,2,0,0,0,0|1,0,1]=4 14931 B12R0.113 CCC/C=C/CC(=O)NC(C)CC 11a_100000209981_200016266809 [0,2,0,0,0,0|1,0,1]=4 14932 B12R0.113 CCC/C=C/CC(=O)NC(C)CC 1626a_100000209981_200016266809 [0,2,0,0,0,0|1,0,1]=4 14933 B12R0.113 CCC/C=C/CC(=O)NC(C)CC 240690a_100000209981_200016266809 [0,2,0,0,0,0|1,0,1]=4 14934 B12R0.113 CCC/C=C/CC(=O)NC(C)CC 527a_100000209981_200016266809 [0,2,0,0,0,0|1,0,1]=4 14935 B12R0.113 CCCCC=CC(=O)CC(C)CC 1458a_100016266645_100000748023 [0,2,0,0,0,0|1,0,1]=4 14936 B12R0.113 CCCCC=CC(=O)CC(O)CC 1458a_100016266645_100011218378 [0,2,0,0,0,0|1,0,1]=4 14937 B12R0.113 CCCCC=CC(=O)C[C@@H](C)CC 1458a_100016266645_100009816398 [0,2,0,0,0,0|1,0,1]=4 14938 B12R0.113 CCCCC=CC(=O)NC(C)CC 11a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 14939 B12R0.113 CCCCC=CC(=O)NC(C)CC 1626a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 14940 B12R0.113 CCCCC=CC(=O)NC(C)CC 240690a_100000209981_100016266645 [0,2,0,0,0,0|1,0,1]=4 14941 B12R0.113 CCCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210757 [0,2,0,0,0,0|1,0,1]=4 14942 B12R0.113 CCCCCCC(=O)CC(=O)CC 1458a_100102632555_100000747405 [0,2,0,0,0,0|1,0,1]=4 14943 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210757 [0,2,0,0,0,0|1,0,0]=3 14944 B12R0.113 CCCCCCC(=O)CC(C)CC 1458a_100102632555_100000748023 [0,2,0,0,0,0|1,0,0]=3 14945 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100011667805_100000210757 [0,2,0,0,0,0|1,0,0]=3 14946 B12R0.113 CCCCCCC(=O)CC(O)CC 1458a_100102632555_100011218378 [0,2,0,0,0,0|1,0,0]=3 14947 B12R0.113 CCCCCCC(=O)CN(C)CC 1458a_100116209913_100000210757 [0,2,0,0,0,0|2,0,0]=4 14948 B12R0.113 CCCCCCC(=O)C[C@@H](C)CC 1458a_100102632555_100009816398 [0,2,0,0,0,0|1,0,0]=3 14949 B12R0.113 CCCCCCC(=O)C[C@@H](C)CO 1458a_100102632555_100000059175 [0,2,0,0,0,0|2,0,0]=4 14950 B12R0.113 CCCCCCC(=O)NC(C)CC 11a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 14951 B12R0.113 CCCCCCC(=O)NC(C)CC 1626a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 14952 B12R0.113 CCCCCCC(=O)NC(C)CC 240690a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 14953 B12R0.113 CCCCCCC(=O)NC(C)CC 527a_100000209981_100102632555 [0,2,0,0,0,0|1,0,0]=3 14954 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 11a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 14955 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 14956 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 14957 B12R0.113 CCCCCCC(=O)N[C@H](C)CF 527a_100102880703_100102632555 [0,2,0,0,0,0|2,0,0]=4 14958 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 14959 B12R0.113 CCCCCCC(=O)N[C@H](C)CO 527a_100000737577_100102632555 [0,2,0,0,0,0|2,0,0]=4 14960 B12R0.113 CCCCCCC(C)OC(C)CC 34a_100000210265_100011215416 [0,2,0,0,0,0|1,0,1]=4 14961 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210228_100011215978 [0,2,0,0,0,0|1,0,1]=4 14962 B12R0.113 CCCCCCC(C)OC(C)CC 7a_100000210265_100000758301 [0,2,0,0,0,0|1,0,1]=4 14963 B12R0.113 CCCCCNC(=O)C=C(C)CC 11a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 14964 B12R0.113 CCCCCNC(=O)C=C(C)CC 1626a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 14965 B12R0.113 CCCCCNC(=O)C=C(C)CC 240690a_100000209983_100020758463 [0,2,0,0,0,0|1,0,1]=4 14966 B12R0.113 CCCCCNC(=O)CC(=O)CC 1458a_100000210414_100000230301 [0,2,0,0,0,0|1,0,1]=4 14967 B12R0.113 CCCCCNC(=O)CC(C)CC 11a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 14968 B12R0.113 CCCCCNC(=O)CC(C)CC 1626a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 14969 B12R0.113 CCCCCNC(=O)CC(C)CC 240690a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 14970 B12R0.113 CCCCCNC(=O)CC(C)CC 527a_100000209983_100000708755 [0,2,0,0,0,0|1,0,0]=3 14971 B12R0.113 CCCCCNC(=O)CC(O)CC 1626a_100000209983_100011667805 [0,2,0,0,0,0|1,0,0]=3 14972 B12R0.113 CCCCCNC(=O)CC(O)CC 240690a_100000209983_100011667805 [0,2,0,0,0,0|1,0,0]=3 14973 B12R0.113 CCCCCNC(=O)CN(C)CC 2230a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 14974 B12R0.113 CCCCCNC(=O)CN(C)CC 240690a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 14975 B12R0.113 CCCCCNC(=O)CN(C)CC 269982a_100000225621_100000230301 [0,2,0,0,0,0|2,0,0]=4 14976 B12R0.113 CCCCCNC(=O)CN(C)CC 527a_100000209983_100116209913 [0,2,0,0,0,0|2,0,0]=4 14977 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 14978 B12R0.113 CCCCCNC(=O)NC(C)CC 2708a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 14979 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 14980 B12R0.113 CCCCCNC(=O)NC(C)CC 273464a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 14981 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209981_100000209983 [0,2,0,0,0,0|1,0,0]=3 14982 B12R0.113 CCCCCNC(=O)NC(C)CC 512a_100000209983_100000209981 [0,2,0,0,0,0|1,0,0]=3 14983 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 2708a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 14984 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 14985 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 14986 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100000209983_100102880703 [0,2,0,0,0,0|2,0,0]=4 14987 B12R0.113 CCCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000209983 [0,2,0,0,0,0|2,0,0]=4 14988 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 2708a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 14989 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 14990 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000209983_100000737577 [0,2,0,0,0,0|2,0,0]=4 14991 B12R0.113 CCCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000209983 [0,2,0,0,0,0|2,0,0]=4 14992 B12R0.113 CCCCNCC(=O)NC(C)CC 2230a_100000102301_100000182745 [0,2,0,0,0,0|1,0,0]=3 14993 B12R0.113 CCCCNCC(=O)NC(C)CC 7a_106832991798_100000182745 [0,2,0,0,0,0|1,0,0]=3 14994 B12R0.113 CCCCNNC(=O)CC(C)CC 22a_100025702795_100000708755 [0,2,0,0,0,0|2,0,0]=4 14995 B12R0.113 CCCCNNC(=O)CC(O)CC 22a_100025702795_100011667805 [0,2,0,0,0,0|2,0,0]=4 14996 B12R0.113 CCCCNNC(=O)NC(C)CC 273464a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 14997 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100000209981_100025702795 [0,2,0,0,0,0|2,0,0]=4 14998 B12R0.113 CCCCNNC(=O)NC(C)CC 512a_100025702795_100000209981 [0,2,0,0,0,0|2,0,0]=4 14999 B12R0.113 CCCCOCC(=O)C=C(C)CC 1458a_100020758463_100011995733 [0,2,0,0,0,0|1,0,1]=4 15000 B12R0.113 CCCCOCC(=O)CC(=O)CC 1458a_100000757543_100000747405 [0,2,0,0,0,0|1,0,1]=4 15001 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000708755_100011995733 [0,2,0,0,0,0|1,0,0]=3 15002 B12R0.113 CCCCOCC(=O)CC(C)CC 1458a_100000757543_100000748023 [0,2,0,0,0,0|1,0,0]=3 15003 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100000757543_100011218378 [0,2,0,0,0,0|1,0,0]=3 15004 B12R0.113 CCCCOCC(=O)CC(O)CC 1458a_100011667805_100011995733 [0,2,0,0,0,0|1,0,0]=3 15005 B12R0.113 CCCCOCC(=O)CN(C)CC 1458a_100116209913_100011995733 [0,2,0,0,0,0|2,0,0]=4 15006 B12R0.113 CCCCOCC(=O)C[C@@H](C)CC 1458a_100000757543_100009816398 [0,2,0,0,0,0|1,0,0]=3 15007 B12R0.113 CCCCOCC(=O)C[C@@H](C)CO 1458a_100000757543_100000059175 [0,2,0,0,0,0|2,0,0]=4 15008 B12R0.113 CCCCOCC(=O)NC(C)CC 11a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 15009 B12R0.113 CCCCOCC(=O)NC(C)CC 1626a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 15010 B12R0.113 CCCCOCC(=O)NC(C)CC 240690a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 15011 B12R0.113 CCCCOCC(=O)NC(C)CC 34a_100000210227_100000182745 [0,2,0,0,0,0|1,0,0]=3 15012 B12R0.113 CCCCOCC(=O)NC(C)CC 527a_100000209981_100000757543 [0,2,0,0,0,0|1,0,0]=3 15013 B12R0.113 CCCCOCC(=O)NC(C)CC 7a_100000210227_100000182745 [0,2,0,0,0,0|1,0,0]=3 15014 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 15015 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 15016 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 15017 B12R0.113 CCCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000757543 [0,2,0,0,0,0|2,0,0]=4 15018 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000757543 [0,2,0,0,0,0|2,0,0]=4 15019 B12R0.113 CCCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000757543 [0,2,0,0,0,0|2,0,0]=4 15020 B12R0.113 CCCCOCC(C)OC(C)CC 34a_100011217071_100011215416 [0,2,0,0,0,0|1,0,1]=4 15021 B12R0.113 CCCCOCC(C)OC(C)CC 7a_100011217071_100000758301 [0,2,0,0,0,0|1,0,1]=4 15022 B12R0.113 CCCCSCC(=O)CC(=O)CC 1458a_100000191162_100000747405 [0,2,0,0,0,0|1,0,1]=4 15023 B12R0.113 CCCCSCC(=O)CC(C)CC 1458a_100000191162_100000748023 [0,2,0,0,0,0|1,0,0]=3 15024 B12R0.113 CCCCSCC(=O)CC(O)CC 1458a_100000191162_100011218378 [0,2,0,0,0,0|1,0,0]=3 15025 B12R0.113 CCCCSCC(=O)C[C@@H](C)CC 1458a_100000191162_100009816398 [0,2,0,0,0,0|1,0,0]=3 15026 B12R0.113 CCCCSCC(=O)C[C@@H](C)CO 1458a_100000191162_100000059175 [0,2,0,0,0,0|2,0,0]=4 15027 B12R0.113 CCCCSCC(=O)NC(C)CC 11a_100000209981_100000191162 [0,2,0,0,0,0|1,0,0]=3 15028 B12R0.113 CCCCSCC(=O)NC(C)CC 1626a_100000209981_100000191162 [0,2,0,0,0,0|1,0,0]=3 15029 B12R0.113 CCCCSCC(=O)NC(C)CC 240690a_100000209981_100000191162 [0,2,0,0,0,0|1,0,0]=3 15030 B12R0.113 CCCCSCC(=O)NC(C)CC 527a_100000209981_100000191162 [0,2,0,0,0,0|1,0,0]=3 15031 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000182745_100000210210 [0,2,0,0,0,0|1,0,0]=3 15032 B12R0.113 CCCCSCC(=O)NC(C)CC 62a_100000210211_100000182745 [0,2,0,0,0,0|1,0,0]=3 15033 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 15034 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 15035 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 15036 B12R0.113 CCCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000191162 [0,2,0,0,0,0|2,0,0]=4 15037 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000191162 [0,2,0,0,0,0|2,0,0]=4 15038 B12R0.113 CCCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000191162 [0,2,0,0,0,0|2,0,0]=4 15039 B12R0.113 CCCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215938 [0,2,0,0,0,0|1,0,1]=4 15040 B12R0.113 CCCOCCC(=O)CC(C)CC 1458a_100000708755_100011215938 [0,2,0,0,0,0|1,0,0]=3 15041 B12R0.113 CCCOCCC(=O)CC(O)CC 1458a_100011667805_100011215938 [0,2,0,0,0,0|1,0,0]=3 15042 B12R0.113 CCCOCCC(=O)CN(C)CC 1458a_100116209913_100011215938 [0,2,0,0,0,0|2,0,0]=4 15043 B12R0.113 CCN(C)CC(=O)CCCCCF 1458a_100116209913_100000729378 [0,2,0,0,0,0|2,0,0]=4 15044 B12R0.113 CCN(C)CC(=O)CCCCCO 1458a_100116209913_100000746330 [0,2,0,0,0,0|2,0,0]=4 15045 B12R0.113 CCN(C)CC(=O)CCCCOC 1458a_100116209913_100000755781 [0,2,0,0,0,0|2,0,0]=4 15046 B12R0.113 CCOCCCC(=O)C=C(C)CC 1458a_100020758463_100012232248 [0,2,0,0,0,0|1,0,1]=4 15047 B12R0.113 CCOCCCC(=O)CC(C)CC 1458a_100000708755_100012232248 [0,2,0,0,0,0|1,0,0]=3 15048 B12R0.113 CCOCCCC(=O)CC(O)CC 1458a_100011667805_100012232248 [0,2,0,0,0,0|1,0,0]=3 15049 B12R0.113 CCOCCCC(=O)CN(C)CC 1458a_100116209913_100012232248 [0,2,0,0,0,0|2,0,0]=4 15050 B12R0.113 CCOCCNC(=O)CC(C)CC 11a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 15051 B12R0.113 CCOCCNC(=O)CC(C)CC 1626a_102516460346_100000708755 [0,2,0,0,0,0|2,0,0]=4 15052 B12R0.113 CCOCCNC(=O)CC(C)CC 240690a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 15053 B12R0.113 CCOCCNC(=O)CC(C)CC 527a_100011200944_100000708755 [0,2,0,0,0,0|2,0,0]=4 15054 B12R0.113 CCOCCNC(=O)CC(O)CC 1626a_102516460346_100011667805 [0,2,0,0,0,0|2,0,0]=4 15055 B12R0.113 CCOCCNC(=O)CC(O)CC 240690a_100011200944_100011667805 [0,2,0,0,0,0|2,0,0]=4 15056 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 15057 B12R0.113 CCOCCNC(=O)NC(C)CC 2708a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 15058 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_100000209981_102516460346 [0,2,0,0,0,0|2,0,0]=4 15059 B12R0.113 CCOCCNC(=O)NC(C)CC 273464a_102516460346_100000209981 [0,2,0,0,0,0|2,0,0]=4 15060 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100000209981_100011200944 [0,2,0,0,0,0|2,0,0]=4 15061 B12R0.113 CCOCCNC(=O)NC(C)CC 512a_100011200944_100000209981 [0,2,0,0,0,0|2,0,0]=4 15062 B12R0.113 CCOCSCC(=O)NC(C)CC 62a_100000182745_100000739092 [0,2,0,0,0,0|2,0,0]=4 15063 B12R0.113 CCOCSCC(=O)NC(C)CC 62a_100000739092_100000182745 [0,2,0,0,0,0|2,0,0]=4 15064 B12R0.113 CCSCCNC(=O)CC(C)CC 11a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 15065 B12R0.113 CCSCCNC(=O)CC(C)CC 1626a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 15066 B12R0.113 CCSCCNC(=O)CC(C)CC 240690a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 15067 B12R0.113 CCSCCNC(=O)CC(C)CC 527a_100000106463_100000708755 [0,2,0,0,0,0|2,0,0]=4 15068 B12R0.113 CCSCCNC(=O)CC(O)CC 1626a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 15069 B12R0.113 CCSCCNC(=O)CC(O)CC 240690a_100000106463_100011667805 [0,2,0,0,0,0|2,0,0]=4 15070 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 15071 B12R0.113 CCSCCNC(=O)NC(C)CC 2708a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 15072 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 15073 B12R0.113 CCSCCNC(=O)NC(C)CC 273464a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 15074 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000106463_100000209981 [0,2,0,0,0,0|2,0,0]=4 15075 B12R0.113 CCSCCNC(=O)NC(C)CC 512a_100000209981_100000106463 [0,2,0,0,0,0|2,0,0]=4 15076 B12R0.113 CC[C@H](C)CC(=O)CCCCCO 1458a_100102619762_100009816398 [0,2,0,0,0,0|1,0,0]=3 15077 B12R0.113 CC[C@H](C)CC(=O)CCOCCO 1458a_100011229844_100009816398 [0,2,0,0,0,0|2,0,0]=4 15078 B12R0.113 CC[C@H](C)CC(=O)COCCOC 1458a_100000211095_100009816398 [0,2,0,0,0,0|2,0,0]=4 15079 B12R0.113 C[C@@H](CO)CC(=O)CCCCCO 1458a_100102619762_100000059175 [0,2,0,0,0,0|2,0,0]=4 15080 B12R0.113 C[C@H](CF)NC(=O)CCCCCO 240690a_100102880703_100102619762 [0,2,0,0,0,0|2,0,0]=4 15081 B12R0.113 C[C@H](CO)NC(=O)CCCCCO 240690a_100000737577_100102619762 [0,2,0,0,0,0|2,0,0]=4 15082 B12R0.114 C#CCCCCC(=O)C(C)CCC 1458a_100000210906_100010269958 [0,2,0,0,0,0|1,0,1]=4 15083 B12R0.114 C#CCCCCC(=O)C(C)CCC 1458a_100000696528_100000766640 [0,2,0,0,0,0|1,0,1]=4 15084 B12R0.114 C#CCCCCC(=O)N(C)CCC 11a_100000747261_100000696528 [0,2,0,0,0,0|1,0,1]=4 15085 B12R0.114 C#CCCCCC(=O)N(C)CCC 1626a_100000747261_100000696528 [0,2,0,0,0,0|1,0,1]=4 15086 B12R0.114 C#CCCCCC(=O)N(C)CCC 240690a_100000747261_100000696528 [0,2,0,0,0,0|1,0,1]=4 15087 B12R0.114 C#CCCCCC(=O)N(C)CCC 527a_100000747261_100000696528 [0,2,0,0,0,0|1,0,1]=4 15088 B12R0.114 C#CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100010269958 [0,2,0,0,0,0|1,0,1]=4 15089 B12R0.114 C=CCCCCC(=O)C(C)CCC 1458a_100000210906_100011215482 [0,2,0,0,0,0|1,0,1]=4 15090 B12R0.114 C=CCCCCC(=O)C(C)CCC 1458a_100011215552_100000766640 [0,2,0,0,0,0|1,0,1]=4 15091 B12R0.114 C=CCCCCC(=O)N(C)CCC 11a_100000747261_100011215552 [0,2,0,0,0,0|1,0,1]=4 15092 B12R0.114 C=CCCCCC(=O)N(C)CCC 1626a_100000747261_100011215552 [0,2,0,0,0,0|1,0,1]=4 15093 B12R0.114 C=CCCCCC(=O)N(C)CCC 240690a_100000747261_100011215552 [0,2,0,0,0,0|1,0,1]=4 15094 B12R0.114 C=CCCCCC(=O)N(C)CCC 527a_100000747261_100011215552 [0,2,0,0,0,0|1,0,1]=4 15095 B12R0.114 C=CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215482 [0,2,0,0,0,0|1,0,1]=4 15096 B12R0.114 CC(CCO)C(=O)CCCCCO 1458a_100102619762_100009893172 [0,2,0,0,0,0|2,0,0]=4 15097 B12R0.114 CC/C=C(\C)/C(=O)CCCCCC 1458a_100016988807_100000210757 [0,2,0,0,0,0|1,0,1]=4 15098 B12R0.114 CC/C=C(\C)/C(=O)CCCCCF 1458a_100016988807_100000729378 [0,2,0,0,0,0|1,0,1]=4 15099 B12R0.114 CC/C=C(\C)/C(=O)CCCCCO 1458a_100016988807_100000746330 [0,2,0,0,0,0|1,0,1]=4 15100 B12R0.114 CC/C=C(\C)/C(=O)CCCCOC 1458a_100016988807_100000755781 [0,2,0,0,0,0|1,0,1]=4 15101 B12R0.114 CC/C=C(\C)/C(=O)CCCOCC 1458a_100016988807_100012232248 [0,2,0,0,0,0|1,0,1]=4 15102 B12R0.114 CC/C=C(\C)/C(=O)CCOCCC 1458a_100016988807_100011215938 [0,2,0,0,0,0|1,0,1]=4 15103 B12R0.114 CC/C=C(\C)/C(=O)COCCCC 1458a_100016988807_100011995733 [0,2,0,0,0,0|1,0,1]=4 15104 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 15105 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 15106 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 240690a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 15107 B12R0.114 CC/C=C(\C)/C(=O)NCCCCC 527a_100000209983_100016988807 [0,2,0,0,0,0|1,0,1]=4 15108 B12R0.114 CC/C=C\CCC(=O)C(C)CCC 1458a_100000210906_100015370543 [0,2,0,0,0,0|1,0,1]=4 15109 B12R0.114 CC/C=C\CCC(=O)[C@@H](O)CCC 1458a_100009822183_100015370543 [0,2,0,0,0,0|1,0,1]=4 15110 B12R0.114 CCC/C=C/CC(=O)C(C)CCC 1458a_200016266809_100000766640 [0,2,0,0,0,0|1,0,1]=4 15111 B12R0.114 CCC/C=C/CC(=O)N(C)CCC 11a_100000747261_200016266809 [0,2,0,0,0,0|1,0,1]=4 15112 B12R0.114 CCC/C=C/CC(=O)N(C)CCC 1626a_100000747261_200016266809 [0,2,0,0,0,0|1,0,1]=4 15113 B12R0.114 CCC/C=C/CC(=O)N(C)CCC 240690a_100000747261_200016266809 [0,2,0,0,0,0|1,0,1]=4 15114 B12R0.114 CCC/C=C/CC(=O)N(C)CCC 527a_100000747261_200016266809 [0,2,0,0,0,0|1,0,1]=4 15115 B12R0.114 CCCC(C)C(=O)CCCCC#N 1458a_100000210906_100000211819 [0,2,0,0,0,0|1,0,1]=4 15116 B12R0.114 CCCC(C)C(=O)CCCCCF 1458a_100000210906_100000729378 [0,2,0,0,0,0|1,0,0]=3 15117 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100000210906_100000746330 [0,2,0,0,0,0|1,0,0]=3 15118 B12R0.114 CCCC(C)C(=O)CCCCCO 1458a_100102619762_100000766640 [0,2,0,0,0,0|1,0,0]=3 15119 B12R0.114 CCCC(C)C(=O)CCCCOC 1458a_100000210906_100000755781 [0,2,0,0,0,0|1,0,0]=3 15120 B12R0.114 CCCC(C)C(=O)CCCOCC 1458a_100000210906_100012232248 [0,2,0,0,0,0|1,0,0]=3 15121 B12R0.114 CCCC(C)C(=O)CCOCCO 1458a_100000210906_100011215305 [0,2,0,0,0,0|2,0,0]=4 15122 B12R0.114 CCCC(C)C(=O)CCOCCO 1458a_100011229844_100000766640 [0,2,0,0,0,0|2,0,0]=4 15123 B12R0.114 CCCC(C)C(=O)COCCOC 1458a_100000211095_100000766640 [0,2,0,0,0,0|2,0,0]=4 15124 B12R0.114 CCCC(C)C(=O)NCCCCO 240690a_100000750430_100000210906 [0,2,0,0,0,0|2,0,0]=4 15125 B12R0.114 CCCC(C)C(=O)NCCCCO 527a_100000750430_100000210906 [0,2,0,0,0,0|2,0,0]=4 15126 B12R0.114 CCCC(C)C(=O)NCCCOC 1626a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 15127 B12R0.114 CCCC(C)C(=O)NCCCOC 240690a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 15128 B12R0.114 CCCC(C)C(=O)NCCCOC 527a_100150723488_100000210906 [0,2,0,0,0,0|2,0,0]=4 15129 B12R0.114 CCCC(C)C(=O)NCCCSC 11a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 15130 B12R0.114 CCCC(C)C(=O)NCCCSC 1626a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 15131 B12R0.114 CCCC(C)C(=O)NCCCSC 240690a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 15132 B12R0.114 CCCC(C)C(=O)NCCCSC 527a_100000749238_100000210906 [0,2,0,0,0,0|2,0,0]=4 15133 B12R0.114 CCCC(C)C(=O)NCCOCC 11a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 15134 B12R0.114 CCCC(C)C(=O)NCCOCC 1626a_102516460346_100000210906 [0,2,0,0,0,0|2,0,0]=4 15135 B12R0.114 CCCC(C)C(=O)NCCOCC 240690a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 15136 B12R0.114 CCCC(C)C(=O)NCCOCC 527a_100011200944_100000210906 [0,2,0,0,0,0|2,0,0]=4 15137 B12R0.114 CCCC(C)C(=O)NCCSCC 11a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 15138 B12R0.114 CCCC(C)C(=O)NCCSCC 1626a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 15139 B12R0.114 CCCC(C)C(=O)NCCSCC 240690a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 15140 B12R0.114 CCCC(C)C(=O)NCCSCC 527a_100000106463_100000210906 [0,2,0,0,0,0|2,0,0]=4 15141 B12R0.114 CCCCC=CC(=O)C(C)CCC 1458a_100016266645_100000766640 [0,2,0,0,0,0|1,0,1]=4 15142 B12R0.114 CCCCC=CC(=O)N(C)CCC 11a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 15143 B12R0.114 CCCCC=CC(=O)N(C)CCC 1626a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 15144 B12R0.114 CCCCC=CC(=O)N(C)CCC 240690a_100000747261_100016266645 [0,2,0,0,0,0|1,0,1]=4 15145 B12R0.114 CCCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210757 [0,2,0,0,0,0|2,0,0]=4 15146 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100000210906_100000210757 [0,2,0,0,0,0|1,0,0]=3 15147 B12R0.114 CCCCCCC(=O)C(C)CCC 1458a_100102632555_100000766640 [0,2,0,0,0,0|1,0,0]=3 15148 B12R0.114 CCCCCCC(=O)C(C)CCO 1458a_100102632555_100009893172 [0,2,0,0,0,0|2,0,0]=4 15149 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100000751857_100000210757 [0,2,0,0,0,0|2,0,0]=4 15150 B12R0.114 CCCCCCC(=O)C(C)COC 1458a_100102632555_100000765312 [0,2,0,0,0,0|2,0,0]=4 15151 B12R0.114 CCCCCCC(=O)C(C)CSC 1458a_100000753918_100000210757 [0,2,0,0,0,0|2,0,0]=4 15152 B12R0.114 CCCCCCC(=O)C(C)OCC 1458a_100000739345_100000210757 [0,2,0,0,0,0|2,0,0]=4 15153 B12R0.114 CCCCCCC(=O)C(C)SCC 1458a_100000230601_100000210757 [0,2,0,0,0,0|2,0,0]=4 15154 B12R0.114 CCCCCCC(=O)N(C)CCC 11a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 15155 B12R0.114 CCCCCCC(=O)N(C)CCC 1626a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 15156 B12R0.114 CCCCCCC(=O)N(C)CCC 240690a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 15157 B12R0.114 CCCCCCC(=O)N(C)CCC 527a_100000747261_100102632555 [0,2,0,0,0,0|1,0,0]=3 15158 B12R0.114 CCCCCCC(=O)N(C)CCO 240690a_100000210263_100102632555 [0,2,0,0,0,0|2,0,0]=4 15159 B12R0.114 CCCCCCC(=O)N(C)CCO 527a_100000210263_100102632555 [0,2,0,0,0,0|2,0,0]=4 15160 B12R0.114 CCCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210757 [0,2,0,0,0,0|1,0,0]=3 15161 B12R0.114 CCCCCNC(=O)C(=O)NCC 1626a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 15162 B12R0.114 CCCCCNC(=O)C(=O)NCC 240690a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 15163 B12R0.114 CCCCCNC(=O)C(=O)NCC 527a_100000209983_200011297158 [0,2,0,0,0,0|2,0,0]=4 15164 B12R0.114 CCCCCNC(=O)C(=O)OCC 11a_100000209983_100014798877 [0,2,0,0,0,0|2,0,0]=4 15165 B12R0.114 CCCCCNC(=O)C(=O)OCC 1626a_100000209983_100014798877 [0,2,0,0,0,0|2,0,0]=4 15166 B12R0.114 CCCCCNC(=O)C(=O)OCC 240690a_100000209983_100014798877 [0,2,0,0,0,0|2,0,0]=4 15167 B12R0.114 CCCCCNC(=O)C(C)CCC 11a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 15168 B12R0.114 CCCCCNC(=O)C(C)CCC 1626a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 15169 B12R0.114 CCCCCNC(=O)C(C)CCC 240690a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 15170 B12R0.114 CCCCCNC(=O)C(C)CCC 527a_100000209983_100000210906 [0,2,0,0,0,0|1,0,0]=3 15171 B12R0.114 CCCCCNC(=O)C(C)COC 11a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 15172 B12R0.114 CCCCCNC(=O)C(C)COC 1626a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 15173 B12R0.114 CCCCCNC(=O)C(C)COC 240690a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 15174 B12R0.114 CCCCCNC(=O)C(C)COC 527a_100000209983_100000751857 [0,2,0,0,0,0|2,0,0]=4 15175 B12R0.114 CCCCCNC(=O)C(C)CSC 11a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 15176 B12R0.114 CCCCCNC(=O)C(C)CSC 1626a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 15177 B12R0.114 CCCCCNC(=O)C(C)CSC 240690a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 15178 B12R0.114 CCCCCNC(=O)C(C)CSC 527a_100000209983_100000753918 [0,2,0,0,0,0|2,0,0]=4 15179 B12R0.114 CCCCCNC(=O)C(C)NCC 2230a_100015525214_100000735910 [0,2,0,0,0,0|2,0,0]=4 15180 B12R0.114 CCCCCNC(=O)C(C)OCC 11a_100000209983_100000739345 [0,2,0,0,0,0|2,0,0]=4 15181 B12R0.114 CCCCCNC(=O)C(C)OCC 1626a_100000209983_100000739345 [0,2,0,0,0,0|2,0,0]=4 15182 B12R0.114 CCCCCNC(=O)C(C)OCC 240690a_100000209983_100000739345 [0,2,0,0,0,0|2,0,0]=4 15183 B12R0.114 CCCCCNC(=O)C(C)OCC 527a_100000209983_100000739345 [0,2,0,0,0,0|2,0,0]=4 15184 B12R0.114 CCCCCNC(=O)C(C)SCC 11a_100000209983_100000230601 [0,2,0,0,0,0|2,0,0]=4 15185 B12R0.114 CCCCCNC(=O)C(C)SCC 1626a_100000209983_100000230601 [0,2,0,0,0,0|2,0,0]=4 15186 B12R0.114 CCCCCNC(=O)C(C)SCC 240690a_100000209983_100000230601 [0,2,0,0,0,0|2,0,0]=4 15187 B12R0.114 CCCCCNC(=O)C(C)SCC 527a_100000209983_100000230601 [0,2,0,0,0,0|2,0,0]=4 15188 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000210202_100000735910 [0,2,0,0,0,0|2,0,0]=4 15189 B12R0.114 CCCCCNC(=O)C(C)SCC 62a_100000735910_100000210202 [0,2,0,0,0,0|2,0,0]=4 15190 B12R0.114 CCCCCNC(=O)N(C)CCC 2708a_100000209983_100000747261 [0,2,0,0,0,0|1,0,0]=3 15191 B12R0.114 CCCCCNC(=O)N(C)CCC 273464a_100000209983_100000747261 [0,2,0,0,0,0|1,0,0]=3 15192 B12R0.114 CCCCCNC(=O)N(C)CCO 2708a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 15193 B12R0.114 CCCCCNC(=O)N(C)CCO 273464a_100000209983_100000210263 [0,2,0,0,0,0|2,0,0]=4 15194 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 240690a_100000209983_100009822183 [0,2,0,0,0,0|1,0,0]=3 15195 B12R0.114 CCCCNNC(=O)C(C)CCC 22a_100025702795_100000210906 [0,2,0,0,0,0|2,0,0]=4 15196 B12R0.114 CCCCNNC(=O)[C@@H](O)CCC 22a_100025702795_100009822183 [0,2,0,0,0,0|2,0,0]=4 15197 B12R0.114 CCCCOCC(=O)C(=O)NCC 1458a_200011297158_100011995733 [0,2,0,0,0,0|2,0,0]=4 15198 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000210906_100011995733 [0,2,0,0,0,0|1,0,0]=3 15199 B12R0.114 CCCCOCC(=O)C(C)CCC 1458a_100000757543_100000766640 [0,2,0,0,0,0|1,0,0]=3 15200 B12R0.114 CCCCOCC(=O)C(C)CCO 1458a_100000757543_100009893172 [0,2,0,0,0,0|2,0,0]=4 15201 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000751857_100011995733 [0,2,0,0,0,0|2,0,0]=4 15202 B12R0.114 CCCCOCC(=O)C(C)COC 1458a_100000757543_100000765312 [0,2,0,0,0,0|2,0,0]=4 15203 B12R0.114 CCCCOCC(=O)C(C)CSC 1458a_100000753918_100011995733 [0,2,0,0,0,0|2,0,0]=4 15204 B12R0.114 CCCCOCC(=O)C(C)OCC 1458a_100000739345_100011995733 [0,2,0,0,0,0|2,0,0]=4 15205 B12R0.114 CCCCOCC(=O)C(C)SCC 1458a_100000230601_100011995733 [0,2,0,0,0,0|2,0,0]=4 15206 B12R0.114 CCCCOCC(=O)N(C)CCC 11a_100000747261_100000757543 [0,2,0,0,0,0|1,0,0]=3 15207 B12R0.114 CCCCOCC(=O)N(C)CCC 1626a_100000747261_100000757543 [0,2,0,0,0,0|1,0,0]=3 15208 B12R0.114 CCCCOCC(=O)N(C)CCC 240690a_100000747261_100000757543 [0,2,0,0,0,0|1,0,0]=3 15209 B12R0.114 CCCCOCC(=O)N(C)CCC 527a_100000747261_100000757543 [0,2,0,0,0,0|1,0,0]=3 15210 B12R0.114 CCCCOCC(=O)N(C)CCO 240690a_100000210263_100000757543 [0,2,0,0,0,0|2,0,0]=4 15211 B12R0.114 CCCCOCC(=O)N(C)CCO 527a_100000210263_100000757543 [0,2,0,0,0,0|2,0,0]=4 15212 B12R0.114 CCCCOCC(=O)[C@@H](O)CCC 1458a_100009822183_100011995733 [0,2,0,0,0,0|1,0,0]=3 15213 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000210211_100000211299 [0,2,0,0,0,0|2,0,0]=4 15214 B12R0.114 CCCCSCC(=O)C(=O)OCC 62a_100000211299_100000210210 [0,2,0,0,0,0|2,0,0]=4 15215 B12R0.114 CCCCSCC(=O)C(C)CCC 1458a_100000191162_100000766640 [0,2,0,0,0,0|1,0,0]=3 15216 B12R0.114 CCCCSCC(=O)C(C)CCO 1458a_100000191162_100009893172 [0,2,0,0,0,0|2,0,0]=4 15217 B12R0.114 CCCCSCC(=O)C(C)COC 1458a_100000191162_100000765312 [0,2,0,0,0,0|2,0,0]=4 15218 B12R0.114 CCCCSCC(=O)N(C)CCC 11a_100000747261_100000191162 [0,2,0,0,0,0|1,0,0]=3 15219 B12R0.114 CCCCSCC(=O)N(C)CCC 1626a_100000747261_100000191162 [0,2,0,0,0,0|1,0,0]=3 15220 B12R0.114 CCCCSCC(=O)N(C)CCC 240690a_100000747261_100000191162 [0,2,0,0,0,0|1,0,0]=3 15221 B12R0.114 CCCCSCC(=O)N(C)CCC 527a_100000747261_100000191162 [0,2,0,0,0,0|1,0,0]=3 15222 B12R0.114 CCCCSCC(=O)N(C)CCO 240690a_100000210263_100000191162 [0,2,0,0,0,0|2,0,0]=4 15223 B12R0.114 CCCCSCC(=O)N(C)CCO 527a_100000210263_100000191162 [0,2,0,0,0,0|2,0,0]=4 15224 B12R0.114 CCCN(C)C(=O)CCCCCO 240690a_100000747261_100102619762 [0,2,0,0,0,0|1,0,0]=3 15225 B12R0.114 CCCN(C)C(=O)CCOCCO 1626a_100000747261_100011229844 [0,2,0,0,0,0|2,0,0]=4 15226 B12R0.114 CCCN(C)C(=O)CCOCCO 240690a_100000747261_100011229844 [0,2,0,0,0,0|2,0,0]=4 15227 B12R0.114 CCCN(C)C(=O)COCCOC 11a_100000747261_100000211095 [0,2,0,0,0,0|2,0,0]=4 15228 B12R0.114 CCCN(C)C(=O)COCCOC 1626a_100000747261_100000211095 [0,2,0,0,0,0|2,0,0]=4 15229 B12R0.114 CCCN(C)C(=O)COCCOC 240690a_100000747261_100000211095 [0,2,0,0,0,0|2,0,0]=4 15230 B12R0.114 CCCN(C)C(=O)COCCOC 527a_100000747261_100000211095 [0,2,0,0,0,0|2,0,0]=4 15231 B12R0.114 CCCN(C)C(=O)NCCCCO 2708a_100000750430_100000747261 [0,2,0,0,0,0|2,0,0]=4 15232 B12R0.114 CCCN(C)C(=O)NCCCCO 273464a_100000750430_100000747261 [0,2,0,0,0,0|2,0,0]=4 15233 B12R0.114 CCCN(C)C(=O)NCCCOC 2708a_100150723488_100000747261 [0,2,0,0,0,0|2,0,0]=4 15234 B12R0.114 CCCN(C)C(=O)NCCCOC 273464a_100150723488_100000747261 [0,2,0,0,0,0|2,0,0]=4 15235 B12R0.114 CCCN(C)C(=O)NCCCSC 2708a_100000749238_100000747261 [0,2,0,0,0,0|2,0,0]=4 15236 B12R0.114 CCCN(C)C(=O)NCCCSC 273464a_100000749238_100000747261 [0,2,0,0,0,0|2,0,0]=4 15237 B12R0.114 CCCN(C)C(=O)NCCOCC 2708a_100011200944_100000747261 [0,2,0,0,0,0|2,0,0]=4 15238 B12R0.114 CCCN(C)C(=O)NCCOCC 273464a_102516460346_100000747261 [0,2,0,0,0,0|2,0,0]=4 15239 B12R0.114 CCCN(C)C(=O)NCCSCC 2708a_100000106463_100000747261 [0,2,0,0,0,0|2,0,0]=4 15240 B12R0.114 CCCN(C)C(=O)NCCSCC 273464a_100000106463_100000747261 [0,2,0,0,0,0|2,0,0]=4 15241 B12R0.114 CCCOCCC(=O)C(=O)NCC 1458a_200011297158_100011215938 [0,2,0,0,0,0|2,0,0]=4 15242 B12R0.114 CCCOCCC(=O)C(C)CCC 1458a_100000210906_100011215938 [0,2,0,0,0,0|1,0,0]=3 15243 B12R0.114 CCCOCCC(=O)C(C)COC 1458a_100000751857_100011215938 [0,2,0,0,0,0|2,0,0]=4 15244 B12R0.114 CCCOCCC(=O)C(C)CSC 1458a_100000753918_100011215938 [0,2,0,0,0,0|2,0,0]=4 15245 B12R0.114 CCCOCCC(=O)C(C)OCC 1458a_100000739345_100011215938 [0,2,0,0,0,0|2,0,0]=4 15246 B12R0.114 CCCOCCC(=O)C(C)SCC 1458a_100000230601_100011215938 [0,2,0,0,0,0|2,0,0]=4 15247 B12R0.114 CCCOCCC(=O)[C@@H](O)CCC 1458a_100009822183_100011215938 [0,2,0,0,0,0|1,0,0]=3 15248 B12R0.114 CCC[C@H](O)C(=O)CCCCC#N 1458a_100009822183_100000211819 [0,2,0,0,0,0|1,0,1]=4 15249 B12R0.114 CCC[C@H](O)C(=O)CCCCCF 1458a_100009822183_100000729378 [0,2,0,0,0,0|1,0,0]=3 15250 B12R0.114 CCC[C@H](O)C(=O)CCCCCO 1458a_100009822183_100000746330 [0,2,0,0,0,0|1,0,0]=3 15251 B12R0.114 CCC[C@H](O)C(=O)CCCCOC 1458a_100009822183_100000755781 [0,2,0,0,0,0|1,0,0]=3 15252 B12R0.114 CCC[C@H](O)C(=O)CCCOCC 1458a_100009822183_100012232248 [0,2,0,0,0,0|1,0,0]=3 15253 B12R0.114 CCC[C@H](O)C(=O)CCOCCO 1458a_100009822183_100011215305 [0,2,0,0,0,0|2,0,0]=4 15254 B12R0.114 CCC[C@H](O)C(=O)NCCCCO 240690a_100000750430_100009822183 [0,2,0,0,0,0|2,0,0]=4 15255 B12R0.114 CCC[C@H](O)C(=O)NCCCOC 240690a_100150723488_100009822183 [0,2,0,0,0,0|2,0,0]=4 15256 B12R0.114 CCC[C@H](O)C(=O)NCCCSC 240690a_100000749238_100009822183 [0,2,0,0,0,0|2,0,0]=4 15257 B12R0.114 CCC[C@H](O)C(=O)NCCOCC 240690a_100011200944_100009822183 [0,2,0,0,0,0|2,0,0]=4 15258 B12R0.114 CCC[C@H](O)C(=O)NCCSCC 240690a_100000106463_100009822183 [0,2,0,0,0,0|2,0,0]=4 15259 B12R0.114 CCNC(=O)C(=O)CCCCCF 1458a_200011297158_100000729378 [0,2,0,0,0,0|2,0,0]=4 15260 B12R0.114 CCNC(=O)C(=O)CCCCCO 1458a_200011297158_100000746330 [0,2,0,0,0,0|2,0,0]=4 15261 B12R0.114 CCNC(=O)C(=O)CCCCOC 1458a_200011297158_100000755781 [0,2,0,0,0,0|2,0,0]=4 15262 B12R0.114 CCNC(=O)C(=O)CCCOCC 1458a_200011297158_100012232248 [0,2,0,0,0,0|2,0,0]=4 15263 B12R0.114 CCOC(C)C(=O)CCCCCF 1458a_100000739345_100000729378 [0,2,0,0,0,0|2,0,0]=4 15264 B12R0.114 CCOC(C)C(=O)CCCCCO 1458a_100000739345_100000746330 [0,2,0,0,0,0|2,0,0]=4 15265 B12R0.114 CCOC(C)C(=O)CCCCOC 1458a_100000739345_100000755781 [0,2,0,0,0,0|2,0,0]=4 15266 B12R0.114 CCOCCCC(=O)C(C)COC 1458a_100000751857_100012232248 [0,2,0,0,0,0|2,0,0]=4 15267 B12R0.114 CCOCCCC(=O)C(C)CSC 1458a_100000753918_100012232248 [0,2,0,0,0,0|2,0,0]=4 15268 B12R0.114 CCOCCCC(=O)C(C)OCC 1458a_100000739345_100012232248 [0,2,0,0,0,0|2,0,0]=4 15269 B12R0.114 CCOCCCC(=O)C(C)SCC 1458a_100000230601_100012232248 [0,2,0,0,0,0|2,0,0]=4 15270 B12R0.114 CCSC(C)C(=O)CCCCCF 1458a_100000230601_100000729378 [0,2,0,0,0,0|2,0,0]=4 15271 B12R0.114 CCSC(C)C(=O)CCCCCO 1458a_100000230601_100000746330 [0,2,0,0,0,0|2,0,0]=4 15272 B12R0.114 CCSC(C)C(=O)CCCCOC 1458a_100000230601_100000755781 [0,2,0,0,0,0|2,0,0]=4 15273 B12R0.114 CN(CCO)C(=O)CCCCCO 240690a_100000210263_100102619762 [0,2,0,0,0,0|2,0,0]=4 15274 B12R0.114 COCC(C)C(=O)CCCCCF 1458a_100000751857_100000729378 [0,2,0,0,0,0|2,0,0]=4 15275 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100000751857_100000746330 [0,2,0,0,0,0|2,0,0]=4 15276 B12R0.114 COCC(C)C(=O)CCCCCO 1458a_100102619762_100000765312 [0,2,0,0,0,0|2,0,0]=4 15277 B12R0.114 COCCCCC(=O)C(C)COC 1458a_100000751857_100000755781 [0,2,0,0,0,0|2,0,0]=4 15278 B12R0.114 COCCCCC(=O)C(C)CSC 1458a_100000753918_100000755781 [0,2,0,0,0,0|2,0,0]=4 15279 B12R0.114 CSCC(C)C(=O)CCCCCF 1458a_100000753918_100000729378 [0,2,0,0,0,0|2,0,0]=4 15280 B12R0.114 CSCC(C)C(=O)CCCCCO 1458a_100000753918_100000746330 [0,2,0,0,0,0|2,0,0]=4 15281 B12R0.206 C#CCCCCCC(=O)C#CCC 1458a_100011827653_100012094781 [0,2,0,0,0,0|1,0,1]=4 15282 B12R0.206 C#CCCCCCC(=O)C=CCC 1458a_100000212282_100012094781 [0,2,0,0,0,0|1,0,1]=4 15283 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000210183_100012094781 [0,2,0,0,0,0|1,0,0]=3 15284 B12R0.206 C#CCCCCCC(=O)CCCC 1458a_100000694772_100000210211 [0,2,0,0,0,0|1,0,0]=3 15285 B12R0.206 C#CCCCCCC(=O)CCCF 1458a_100000694772_100011934791 [0,2,0,0,0,0|2,0,0]=4 15286 B12R0.206 C#CCCCCCC(=O)CCCO 1458a_100000694772_100011215043 [0,2,0,0,0,0|2,0,0]=4 15287 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000694772_100000233755 [0,2,0,0,0,0|2,0,0]=4 15288 B12R0.206 C#CCCCCCC(=O)CCOC 1458a_100000749529_100012094781 [0,2,0,0,0,0|2,0,0]=4 15289 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000174002_100012094781 [0,2,0,0,0,0|2,0,0]=4 15290 B12R0.206 C#CCCCCCC(=O)CCSC 1458a_100000694772_100000751147 [0,2,0,0,0,0|2,0,0]=4 15291 B12R0.206 C#CCCCCCC(=O)COCC 1458a_100000211967_100012094781 [0,2,0,0,0,0|2,0,0]=4 15292 B12R0.206 C#CCCCCCC(=O)CSCC 1458a_100000230394_100012094781 [0,2,0,0,0,0|2,0,0]=4 15293 B12R0.206 C#CCCCCCC(=O)NCCC 11a_100020643023_100000694772 [0,2,0,0,0,0|1,0,0]=3 15294 B12R0.206 C#CCCCCCC(=O)NCCC 1626a_100020643023_100000694772 [0,2,0,0,0,0|1,0,0]=3 15295 B12R0.206 C#CCCCCCC(=O)NCCC 240690a_100020643023_100000694772 [0,2,0,0,0,0|1,0,0]=3 15296 B12R0.206 C#CCCCCCC(=O)NCCC 527a_100020643023_100000694772 [0,2,0,0,0,0|1,0,0]=3 15297 B12R0.206 C#CCCCCCC(=O)NCCF 11a_100000724931_100000694772 [0,2,0,0,0,0|2,0,0]=4 15298 B12R0.206 C#CCCCCCC(=O)NCCF 1626a_100000724931_100000694772 [0,2,0,0,0,0|2,0,0]=4 15299 B12R0.206 C#CCCCCCC(=O)NCCF 240690a_100000724931_100000694772 [0,2,0,0,0,0|2,0,0]=4 15300 B12R0.206 C#CCCCCCC(=O)NCCF 527a_100000724931_100000694772 [0,2,0,0,0,0|2,0,0]=4 15301 B12R0.206 C#CCCCCCC(=O)NCCO 240690a_100000210304_100000694772 [0,2,0,0,0,0|2,0,0]=4 15302 B12R0.206 C#CCCCCCC(=O)NCCO 527a_100000210304_100000694772 [0,2,0,0,0,0|2,0,0]=4 15303 B12R0.206 C#CCCCCCC(=O)NNCC 22a_100000756455_100000694772 [0,2,0,0,0,0|2,0,0]=4 15304 B12R0.206 C#CCCCCNC(=O)CCCC 11a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 15305 B12R0.206 C#CCCCCNC(=O)CCCC 1626a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 15306 B12R0.206 C#CCCCCNC(=O)CCCC 240690a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 15307 B12R0.206 C#CCCCCNC(=O)CCCC 527a_100000706060_100000210183 [0,2,0,0,0,0|1,0,1]=4 15308 B12R0.206 C#CCCCCNC(=O)NCCC 2708a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 15309 B12R0.206 C#CCCCCNC(=O)NCCC 2708a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 15310 B12R0.206 C#CCCCCNC(=O)NCCC 273464a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 15311 B12R0.206 C#CCCCCNC(=O)NCCC 273464a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 15312 B12R0.206 C#CCCCCNC(=O)NCCC 512a_100000706060_100020643023 [0,2,0,0,0,0|1,0,1]=4 15313 B12R0.206 C#CCCCCNC(=O)NCCC 512a_100020643023_100000706060 [0,2,0,0,0,0|1,0,1]=4 15314 B12R0.206 C#CCCCNCC(=O)NCCC 2230a_100000174927_100000731252 [0,2,0,0,0,0|1,0,1]=4 15315 B12R0.206 C#CCCCNCC(=O)NCCC 34a_100000718082_100000183358 [0,2,0,0,0,0|1,0,1]=4 15316 B12R0.206 C#CCCCNCC(=O)OCCC 34a_100000718082_200011215008 [0,2,0,0,0,0|0,0,1]=3 15317 B12R0.206 C#CCCCOCC(=O)NCCC 34a_100000215630_100000183358 [0,2,0,0,0,0|1,0,1]=4 15318 B12R0.206 C#CCCCOCC(=O)NCCC 7a_100000215630_100000183358 [0,2,0,0,0,0|1,0,1]=4 15319 B12R0.206 C#CCCCOCC(=O)OCCC 34a_100000215630_200011215008 [0,2,0,0,0,0|0,0,1]=3 15320 B12R0.206 C#CCCCOCC(=O)OCCC 7a_100000215630_200011215008 [0,2,0,0,0,0|0,0,1]=3 15321 B12R0.206 C#CCCCSCC(=O)NCCC 62a_100000183358_100011215417 [0,2,0,0,0,0|1,0,1]=4 15322 B12R0.206 C#CCCCSCC(=O)NCCC 62a_100011215417_100000183358 [0,2,0,0,0,0|1,0,1]=4 15323 B12R0.206 C#CCCCSCC(=O)OCCC 62a_100011215417_200011215008 [0,2,0,0,0,0|0,0,1]=3 15324 B12R0.206 C#CCCCSCC(=O)OCCC 62a_200011215008_100011215417 [0,2,0,0,0,0|0,0,1]=3 15325 B12R0.206 C#CCCNCOC(=O)OCCC 34a_100000755551_200000139673 [0,2,0,0,0,0|0,0,2]=4 15326 B12R0.206 C#CCCOCOC(=O)OCCC 34a_100011215631_200000139673 [0,2,0,0,0,0|0,0,2]=4 15327 B12R0.206 C#CCCSCOC(=O)OCCC 62a_100000688953_200000139673 [0,2,0,0,0,0|0,0,2]=4 15328 B12R0.206 C#CCSCCCC(=O)NCCC 62a_100000038162_100011194427 [0,2,0,0,0,0|1,0,1]=4 15329 B12R0.206 C/C=C/CCOCC(=O)NCCC 34a_100016278192_100000183358 [0,2,0,0,0,0|1,0,1]=4 15330 B12R0.206 C/C=C/CCOCC(=O)OCCC 34a_100016278192_200011215008 [0,2,0,0,0,0|0,0,1]=3 15331 B12R0.206 C/C=C/COCOC(=O)OCCC 34a_100016270725_200000139673 [0,2,0,0,0,0|0,0,2]=4 15332 B12R0.206 C/C=C/CSCOC(=O)OCCC 62a_100102629194_200000139673 [0,2,0,0,0,0|0,0,2]=4 15333 B12R0.206 C=C(CNCCCCO)OCOC 34a_100000750430_100000042856 [0,2,0,0,0,0|2,0,0]=4 15334 B12R0.206 C=C(CNCCCOC)OCOC 34a_100150723488_100000042856 [0,2,0,0,0,0|2,0,0]=4 15335 B12R0.206 C=C(CNCCOCC)OCOC 34a_102516460346_100000042856 [0,2,0,0,0,0|2,0,0]=4 15336 B12R0.206 C=C(COCCCCBr)OCOC 34a_100011216708_100000042856 [0,2,0,0,0,0|2,0,0]=4 15337 B12R0.206 C=C(COCCCCC)OCOC 34a_100000210253_100000042856 [0,2,0,0,0,0|2,0,0]=4 15338 B12R0.206 C=C(COCCCCCl)OCOC 34a_100000210776_100000042856 [0,2,0,0,0,0|2,0,0]=4 15339 B12R0.206 C=C(COCCCCF)OCOC 34a_100011995726_100000042856 [0,2,0,0,0,0|2,0,0]=4 15340 B12R0.206 C=C(COCCCCI)OCOC 34a_200012148704_100000042856 [0,2,0,0,0,0|2,0,0]=4 15341 B12R0.206 C=C(COCCCCN)OCOC 34a_100000750430_100000042856 [0,2,0,0,0,0|2,0,0]=4 15342 B12R0.206 C=C(COCCCNC)OCOC 34a_100000213112_100000042856 [0,2,0,0,0,0|2,0,0]=4 15343 B12R0.206 C=C(COCCCOC)OCOC 34a_100000740835_100000042856 [0,2,0,0,0,0|2,0,0]=4 15344 B12R0.206 C=C(COCCCSC)OCOC 34a_100000690336_100000042856 [0,2,0,0,0,0|2,0,0]=4 15345 B12R0.206 C=C(COCCOCC)OCOC 34a_100000210136_100000042856 [0,2,0,0,0,0|2,0,0]=4 15346 B12R0.206 C=C(COCCSCC)OCOC 34a_100000212035_100000042856 [0,2,0,0,0,0|2,0,0]=4 15347 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000042856_100000210326 [0,2,0,0,0,0|2,0,0]=4 15348 B12R0.206 C=C(CSCCCCC)OCOC 62a_100000210326_100000042856 [0,2,0,0,0,0|2,0,0]=4 15349 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000042856_100000729493 [0,2,0,0,0,0|2,0,0]=4 15350 B12R0.206 C=C(CSCCCCF)OCOC 62a_100000729493_100000042856 [0,2,0,0,0,0|2,0,0]=4 15351 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000042856_100000210776 [0,2,0,0,0,0|2,0,0]=4 15352 B12R0.206 C=C(CSCCCCO)OCOC 62a_100000210776_100000042856 [0,2,0,0,0,0|2,0,0]=4 15353 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000042856_100000709357 [0,2,0,0,0,0|2,0,0]=4 15354 B12R0.206 C=C(CSCCCOC)OCOC 62a_100000709357_100000042856 [0,2,0,0,0,0|2,0,0]=4 15355 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000042856_100011215890 [0,2,0,0,0,0|2,0,0]=4 15356 B12R0.206 C=C(CSCCOCC)OCOC 62a_100000210147_100000042856 [0,2,0,0,0,0|2,0,0]=4 15357 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000042856_100000757381 [0,2,0,0,0,0|2,0,0]=4 15358 B12R0.206 C=C(CSCCSCC)OCOC 62a_100000757381_100000042856 [0,2,0,0,0,0|2,0,0]=4 15359 B12R0.206 C=CCCCCCC(=O)C#CCC 1458a_100011827653_100000700193 [0,2,0,0,0,0|1,0,1]=4 15360 B12R0.206 C=CCCCCCC(=O)C=CCC 1458a_100000212282_100000700193 [0,2,0,0,0,0|1,0,1]=4 15361 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100000210183_100000700193 [0,2,0,0,0,0|1,0,0]=3 15362 B12R0.206 C=CCCCCCC(=O)CCCC 1458a_100011934241_100000210211 [0,2,0,0,0,0|1,0,0]=3 15363 B12R0.206 C=CCCCCCC(=O)CCCF 1458a_100011934241_100011934791 [0,2,0,0,0,0|2,0,0]=4 15364 B12R0.206 C=CCCCCCC(=O)CCCO 1458a_100011934241_100011215043 [0,2,0,0,0,0|2,0,0]=4 15365 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100000749529_100000700193 [0,2,0,0,0,0|2,0,0]=4 15366 B12R0.206 C=CCCCCCC(=O)CCOC 1458a_100011934241_100000233755 [0,2,0,0,0,0|2,0,0]=4 15367 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100000174002_100000700193 [0,2,0,0,0,0|2,0,0]=4 15368 B12R0.206 C=CCCCCCC(=O)CCSC 1458a_100011934241_100000751147 [0,2,0,0,0,0|2,0,0]=4 15369 B12R0.206 C=CCCCCCC(=O)COCC 1458a_100000211967_100000700193 [0,2,0,0,0,0|2,0,0]=4 15370 B12R0.206 C=CCCCCCC(=O)CSCC 1458a_100000230394_100000700193 [0,2,0,0,0,0|2,0,0]=4 15371 B12R0.206 C=CCCCCCC(=O)NCCC 11a_100020643023_100011934241 [0,2,0,0,0,0|1,0,0]=3 15372 B12R0.206 C=CCCCCCC(=O)NCCC 1626a_100020643023_100011934241 [0,2,0,0,0,0|1,0,0]=3 15373 B12R0.206 C=CCCCCCC(=O)NCCC 240690a_100020643023_100011934241 [0,2,0,0,0,0|1,0,0]=3 15374 B12R0.206 C=CCCCCCC(=O)NCCC 527a_100020643023_100011934241 [0,2,0,0,0,0|1,0,0]=3 15375 B12R0.206 C=CCCCCCC(=O)NCCF 11a_100000724931_100011934241 [0,2,0,0,0,0|2,0,0]=4 15376 B12R0.206 C=CCCCCCC(=O)NCCF 1626a_100000724931_100011934241 [0,2,0,0,0,0|2,0,0]=4 15377 B12R0.206 C=CCCCCCC(=O)NCCF 240690a_100000724931_100011934241 [0,2,0,0,0,0|2,0,0]=4 15378 B12R0.206 C=CCCCCCC(=O)NCCF 527a_100000724931_100011934241 [0,2,0,0,0,0|2,0,0]=4 15379 B12R0.206 C=CCCCCCC(=O)NCCO 240690a_100000210304_100011934241 [0,2,0,0,0,0|2,0,0]=4 15380 B12R0.206 C=CCCCCCC(=O)NCCO 527a_100000210304_100011934241 [0,2,0,0,0,0|2,0,0]=4 15381 B12R0.206 C=CCCCCCC(=O)NNCC 22a_100000756455_100011934241 [0,2,0,0,0,0|2,0,0]=4 15382 B12R0.206 C=CCCCCNC(=O)CCCC 11a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15383 B12R0.206 C=CCCCCNC(=O)CCCC 1626a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15384 B12R0.206 C=CCCCCNC(=O)CCCC 240690a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15385 B12R0.206 C=CCCCCNC(=O)CCCC 527a_100000703577_100000210183 [0,2,0,0,0,0|1,0,1]=4 15386 B12R0.206 C=CCCCCNC(=O)NCCC 2708a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 15387 B12R0.206 C=CCCCCNC(=O)NCCC 2708a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 15388 B12R0.206 C=CCCCCNC(=O)NCCC 273464a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 15389 B12R0.206 C=CCCCCNC(=O)NCCC 273464a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 15390 B12R0.206 C=CCCCCNC(=O)NCCC 512a_100000703577_100020643023 [0,2,0,0,0,0|1,0,1]=4 15391 B12R0.206 C=CCCCCNC(=O)NCCC 512a_100020643023_100000703577 [0,2,0,0,0,0|1,0,1]=4 15392 B12R0.206 C=CCCCNCC(=O)NCCC 2230a_100000174927_100011713584 [0,2,0,0,0,0|1,0,1]=4 15393 B12R0.206 C=CCCCNCC(=O)NCCC 2230a_100000700776_100000183358 [0,2,0,0,0,0|1,0,1]=4 15394 B12R0.206 C=CCCCNCC(=O)NCCC 34a_100000700776_100000183358 [0,2,0,0,0,0|1,0,1]=4 15395 B12R0.206 C=CCCCNCC(=O)OCCC 2230a_100000700776_200011215008 [0,2,0,0,0,0|0,0,1]=3 15396 B12R0.206 C=CCCCNCC(=O)OCCC 34a_100000700776_200011215008 [0,2,0,0,0,0|0,0,1]=3 15397 B12R0.206 C=CCCCOCC(=O)NCCC 34a_100000758997_100000183358 [0,2,0,0,0,0|1,0,1]=4 15398 B12R0.206 C=CCCCOCC(=O)NCCC 7a_100000758997_100000183358 [0,2,0,0,0,0|1,0,1]=4 15399 B12R0.206 C=CCCCOCC(=O)OCCC 34a_100000758997_200011215008 [0,2,0,0,0,0|0,0,1]=3 15400 B12R0.206 C=CCCCOCC(=O)OCCC 7a_100000758997_200011215008 [0,2,0,0,0,0|0,0,1]=3 15401 B12R0.206 C=CCCCSCC(=O)NCCC 62a_100000183358_100000757094 [0,2,0,0,0,0|1,0,1]=4 15402 B12R0.206 C=CCCCSCC(=O)NCCC 62a_100011713584_100000183358 [0,2,0,0,0,0|1,0,1]=4 15403 B12R0.206 C=CCCCSCC(=O)OCCC 62a_100011713584_200011215008 [0,2,0,0,0,0|0,0,1]=3 15404 B12R0.206 C=CCCCSCC(=O)OCCC 62a_200011215008_100000757094 [0,2,0,0,0,0|0,0,1]=3 15405 B12R0.206 C=CCCOCOC(=O)OCCC 34a_100011205117_200000139673 [0,2,0,0,0,0|0,0,2]=4 15406 B12R0.206 C=CCCSCOC(=O)OCCC 62a_100000754431_200000139673 [0,2,0,0,0,0|0,0,2]=4 15407 B12R0.206 C=CCNCCCC(=O)NCCC 2230a_100020586998_100011194427 [0,2,0,0,0,0|1,0,1]=4 15408 B12R0.206 C=CCOC(=O)CNCCCCC 2230a_100000209983_100000033060 [0,2,0,0,0,0|0,0,2]=4 15409 B12R0.206 C=CCOC(=O)CNCCCCO 2230a_100000750430_100000033060 [0,2,0,0,0,0|0,0,2]=4 15410 B12R0.206 C=CCOC(=O)CNCCCCO 34a_100000750430_100000033060 [0,2,0,0,0,0|0,0,2]=4 15411 B12R0.206 C=CCOC(=O)CNCCCOC 34a_100150723488_100000033060 [0,2,0,0,0,0|0,0,2]=4 15412 B12R0.206 C=CCOC(=O)CNCCCSC 2230a_100000749238_100000033060 [0,2,0,0,0,0|0,0,2]=4 15413 B12R0.206 C=CCOC(=O)CNCCOCC 2230a_102516460346_100000033060 [0,2,0,0,0,0|0,0,2]=4 15414 B12R0.206 C=CCOC(=O)CNCCOCC 34a_102516460346_100000033060 [0,2,0,0,0,0|0,0,2]=4 15415 B12R0.206 C=CCOC(=O)CNCCSCC 2230a_100000106463_100000033060 [0,2,0,0,0,0|0,0,2]=4 15416 B12R0.206 C=CCOC(=O)COCCCCBr 34a_100011216708_100000033060 [0,2,0,0,0,0|0,0,2]=4 15417 B12R0.206 C=CCOC(=O)COCCCCC 34a_100000210253_100000033060 [0,2,0,0,0,0|0,0,2]=4 15418 B12R0.206 C=CCOC(=O)COCCCCC 7a_100000210253_100000033060 [0,2,0,0,0,0|0,0,2]=4 15419 B12R0.206 C=CCOC(=O)COCCCCCl 34a_100000210776_100000033060 [0,2,0,0,0,0|0,0,2]=4 15420 B12R0.206 C=CCOC(=O)COCCCCCl 7a_100000210776_100000033060 [0,2,0,0,0,0|0,0,2]=4 15421 B12R0.206 C=CCOC(=O)COCCCCF 34a_100011995726_100000033060 [0,2,0,0,0,0|0,0,2]=4 15422 B12R0.206 C=CCOC(=O)COCCCCF 7a_100011995726_100000033060 [0,2,0,0,0,0|0,0,2]=4 15423 B12R0.206 C=CCOC(=O)COCCCCI 34a_200012148704_100000033060 [0,2,0,0,0,0|0,0,2]=4 15424 B12R0.206 C=CCOC(=O)COCCCCN 34a_100000750430_100000033060 [0,2,0,0,0,0|0,0,2]=4 15425 B12R0.206 C=CCOC(=O)COCCCNC 34a_100000213112_100000033060 [0,2,0,0,0,0|0,0,2]=4 15426 B12R0.206 C=CCOC(=O)COCCCOC 34a_100000740835_100000033060 [0,2,0,0,0,0|0,0,2]=4 15427 B12R0.206 C=CCOC(=O)COCCCSC 34a_100000690336_100000033060 [0,2,0,0,0,0|0,0,2]=4 15428 B12R0.206 C=CCOC(=O)COCCCSC 7a_100000690336_100000033060 [0,2,0,0,0,0|0,0,2]=4 15429 B12R0.206 C=CCOC(=O)COCCOCC 34a_100000210136_100000033060 [0,2,0,0,0,0|0,0,2]=4 15430 B12R0.206 C=CCOC(=O)COCCOCC 7a_100000210136_100000033060 [0,2,0,0,0,0|0,0,2]=4 15431 B12R0.206 C=CCOC(=O)COCCSCC 34a_100000212035_100000033060 [0,2,0,0,0,0|0,0,2]=4 15432 B12R0.206 C=CCOC(=O)COCCSCC 7a_100000212035_100000033060 [0,2,0,0,0,0|0,0,2]=4 15433 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000033060_100000210326 [0,2,0,0,0,0|0,0,2]=4 15434 B12R0.206 C=CCOC(=O)CSCCCCC 62a_100000210326_100000033060 [0,2,0,0,0,0|0,0,2]=4 15435 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000033060_100000729493 [0,2,0,0,0,0|0,0,2]=4 15436 B12R0.206 C=CCOC(=O)CSCCCCF 62a_100000729493_100000033060 [0,2,0,0,0,0|0,0,2]=4 15437 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000033060_100000210776 [0,2,0,0,0,0|0,0,2]=4 15438 B12R0.206 C=CCOC(=O)CSCCCCO 62a_100000210776_100000033060 [0,2,0,0,0,0|0,0,2]=4 15439 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000033060_100000709357 [0,2,0,0,0,0|0,0,2]=4 15440 B12R0.206 C=CCOC(=O)CSCCCOC 62a_100000709357_100000033060 [0,2,0,0,0,0|0,0,2]=4 15441 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000033060_100011215890 [0,2,0,0,0,0|0,0,2]=4 15442 B12R0.206 C=CCOC(=O)CSCCOCC 62a_100000210147_100000033060 [0,2,0,0,0,0|0,0,2]=4 15443 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000033060_100000757381 [0,2,0,0,0,0|0,0,2]=4 15444 B12R0.206 C=CCOC(=O)CSCCSCC 62a_100000757381_100000033060 [0,2,0,0,0,0|0,0,2]=4 15445 B12R0.206 C=CCSCCCC(=O)NCCC 62a_100000210623_100011194427 [0,2,0,0,0,0|1,0,1]=4 15446 B12R0.206 C=CCSCCCC(=O)NCCC 62a_100011194427_100000210623 [0,2,0,0,0,0|1,0,1]=4 15447 B12R0.206 C=COCCOCC(=O)OCCC 34a_100000033082_200011215008 [0,2,0,0,0,0|0,0,2]=4 15448 B12R0.206 C=COCCSCC(=O)OCCC 62a_100000039644_200011215008 [0,2,0,0,0,0|0,0,2]=4 15449 B12R0.206 C=COCCSCC(=O)OCCC 62a_200011215008_100000039644 [0,2,0,0,0,0|0,0,2]=4 15450 B12R0.206 CC#CCCOCC(=O)NCCC 34a_100000750427_100000183358 [0,2,0,0,0,0|1,0,1]=4 15451 B12R0.206 CC#CCCOCC(=O)OCCC 34a_100000750427_200011215008 [0,2,0,0,0,0|0,0,1]=3 15452 B12R0.206 CC#CCNCOC(=O)OCCC 34a_100000685387_200000139673 [0,2,0,0,0,0|0,0,2]=4 15453 B12R0.206 CC#CCOCOC(=O)OCCC 34a_100000761923_200000139673 [0,2,0,0,0,0|0,0,2]=4 15454 B12R0.206 CC#CCSCOC(=O)OCCC 62a_100000748600_200000139673 [0,2,0,0,0,0|0,0,2]=4 15455 B12R0.206 CC/C=C\CNCC(=O)NCCC 2230a_100000174927_100103147603 [0,2,0,0,0,0|1,0,1]=4 15456 B12R0.206 CC/C=C\COCC(=O)NCCC 34a_100016268518_100000183358 [0,2,0,0,0,0|1,0,1]=4 15457 B12R0.206 CC/C=C\COCC(=O)OCCC 34a_100016268518_200011215008 [0,2,0,0,0,0|0,0,1]=3 15458 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100000183358_100103147603 [0,2,0,0,0,0|1,0,1]=4 15459 B12R0.206 CC/C=C\CSCC(=O)NCCC 62a_100103147603_100000183358 [0,2,0,0,0,0|1,0,1]=4 15460 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_100103147603_200011215008 [0,2,0,0,0,0|0,0,1]=3 15461 B12R0.206 CC/C=C\CSCC(=O)OCCC 62a_200011215008_100103147603 [0,2,0,0,0,0|0,0,1]=3 15462 B12R0.206 CC=CCSCOC(=O)OCCC 62a_100000070051_200000139673 [0,2,0,0,0,0|0,0,2]=4 15463 B12R0.206 CCC#CC(=O)CCCCCC#N 1458a_100011827653_100009813376 [0,2,0,0,0,0|1,0,1]=4 15464 B12R0.206 CCC#CC(=O)CCCCCCC 1458a_100011827653_100000210614 [0,2,0,0,0,0|1,0,1]=4 15465 B12R0.206 CCC#CC(=O)CCCCCCF 1458a_100011827653_100015922095 [0,2,0,0,0,0|1,0,1]=4 15466 B12R0.206 CCC#CC(=O)CCCCCCO 1458a_100011827653_100000766143 [0,2,0,0,0,0|1,0,1]=4 15467 B12R0.206 CCC#CC(=O)CCOCCCC 1458a_100011827653_100000743108 [0,2,0,0,0,0|1,0,1]=4 15468 B12R0.206 CCC#CC(=O)CCOCCOC 1458a_100011827653_100000695917 [0,2,0,0,0,0|1,0,1]=4 15469 B12R0.206 CCC#CC(=O)NNCCCCC 22a_100000694160_100011827653 [0,2,0,0,0,0|1,0,1]=4 15470 B12R0.206 CCC#CCNCC(=O)NCCC 2230a_100000174927_100009813939 [0,2,0,0,0,0|1,0,1]=4 15471 B12R0.206 CCC#CCOCC(=O)NCCC 34a_100000032950_100000183358 [0,2,0,0,0,0|1,0,1]=4 15472 B12R0.206 CCC#CCOCC(=O)OCCC 34a_100000032950_200011215008 [0,2,0,0,0,0|0,0,1]=3 15473 B12R0.206 CCC#CCSCC(=O)NCCC 62a_100000183358_100009813939 [0,2,0,0,0,0|1,0,1]=4 15474 B12R0.206 CCC#CCSCC(=O)NCCC 62a_100009813939_100000183358 [0,2,0,0,0,0|1,0,1]=4 15475 B12R0.206 CCC#CCSCC(=O)OCCC 62a_100009813939_200011215008 [0,2,0,0,0,0|0,0,1]=3 15476 B12R0.206 CCC#CCSCC(=O)OCCC 62a_200011215008_100009813939 [0,2,0,0,0,0|0,0,1]=3 15477 B12R0.206 CCC=CC(=O)CCCCCC#N 1458a_100000212282_100009813376 [0,2,0,0,0,0|1,0,1]=4 15478 B12R0.206 CCC=CC(=O)CCCCCCC 1458a_100000212282_100000210614 [0,2,0,0,0,0|1,0,1]=4 15479 B12R0.206 CCC=CC(=O)CCCCCCF 1458a_100000212282_100015922095 [0,2,0,0,0,0|1,0,1]=4 15480 B12R0.206 CCC=CC(=O)CCCCCCO 1458a_100000212282_100000766143 [0,2,0,0,0,0|1,0,1]=4 15481 B12R0.206 CCC=CC(=O)CCOCCCC 1458a_100000212282_100000743108 [0,2,0,0,0,0|1,0,1]=4 15482 B12R0.206 CCC=CC(=O)CCOCCOC 1458a_100000212282_100000695917 [0,2,0,0,0,0|1,0,1]=4 15483 B12R0.206 CCC=CC(=O)NCCCCCC 11a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 15484 B12R0.206 CCC=CC(=O)NCCCCCC 1626a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 15485 B12R0.206 CCC=CC(=O)NCCCCCC 240690a_100000210581_100000212282 [0,2,0,0,0,0|1,0,1]=4 15486 B12R0.206 CCC=CC(=O)NCCCCCO 240690a_100000762737_100000212282 [0,2,0,0,0,0|1,0,1]=4 15487 B12R0.206 CCC=CC(=O)NCCCOCC 11a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 15488 B12R0.206 CCC=CC(=O)NCCCOCC 1626a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 15489 B12R0.206 CCC=CC(=O)NCCCOCC 240690a_100000210961_100000212282 [0,2,0,0,0,0|1,0,1]=4 15490 B12R0.206 CCC=CC(=O)NCCOCCC 1626a_100161115042_100000212282 [0,2,0,0,0,0|1,0,1]=4 15491 B12R0.206 CCC=CC(=O)NCCOCCC 240690a_100161115042_100000212282 [0,2,0,0,0,0|1,0,1]=4 15492 B12R0.206 CCC=CC(=O)NCCSCCC 11a_100020603323_100000212282 [0,2,0,0,0,0|1,0,1]=4 15493 B12R0.206 CCC=CC(=O)NCCSCCC 240690a_100020603323_100000212282 [0,2,0,0,0,0|1,0,1]=4 15494 B12R0.206 CCC=CC(=O)NNCCCCC 22a_100000694160_100000212282 [0,2,0,0,0,0|1,0,1]=4 15495 B12R0.206 CCCC/C=C/CC(=O)CCCC 1458a_200016282684_100000210211 [0,2,0,0,0,0|1,0,0]=3 15496 B12R0.206 CCCC/C=C/CC(=O)CCCF 1458a_200016282684_100011934791 [0,2,0,0,0,0|2,0,0]=4 15497 B12R0.206 CCCC/C=C/CC(=O)CCCO 1458a_200016282684_100011215043 [0,2,0,0,0,0|2,0,0]=4 15498 B12R0.206 CCCC/C=C/CC(=O)CCOC 1458a_200016282684_100000233755 [0,2,0,0,0,0|2,0,0]=4 15499 B12R0.206 CCCC/C=C/CC(=O)CCSC 1458a_200016282684_100000751147 [0,2,0,0,0,0|2,0,0]=4 15500 B12R0.206 CCCC/C=C/CC(=O)NCCC 11a_100020643023_200016282684 [0,2,0,0,0,0|1,0,0]=3 15501 B12R0.206 CCCC/C=C/CC(=O)NCCC 1626a_100020643023_200016282684 [0,2,0,0,0,0|1,0,0]=3 15502 B12R0.206 CCCC/C=C/CC(=O)NCCC 240690a_100020643023_200016282684 [0,2,0,0,0,0|1,0,0]=3 15503 B12R0.206 CCCC/C=C/CC(=O)NCCC 527a_100020643023_200016282684 [0,2,0,0,0,0|1,0,0]=3 15504 B12R0.206 CCCC/C=C/CC(=O)NCCF 11a_100000724931_200016282684 [0,2,0,0,0,0|2,0,0]=4 15505 B12R0.206 CCCC/C=C/CC(=O)NCCF 1626a_100000724931_200016282684 [0,2,0,0,0,0|2,0,0]=4 15506 B12R0.206 CCCC/C=C/CC(=O)NCCF 240690a_100000724931_200016282684 [0,2,0,0,0,0|2,0,0]=4 15507 B12R0.206 CCCC/C=C/CC(=O)NCCF 527a_100000724931_200016282684 [0,2,0,0,0,0|2,0,0]=4 15508 B12R0.206 CCCC/C=C/CC(=O)NCCO 240690a_100000210304_200016282684 [0,2,0,0,0,0|2,0,0]=4 15509 B12R0.206 CCCC/C=C/CC(=O)NCCO 527a_100000210304_200016282684 [0,2,0,0,0,0|2,0,0]=4 15510 B12R0.206 CCCC/C=C/CC(=O)NNCC 22a_100000756455_200016282684 [0,2,0,0,0,0|2,0,0]=4 15511 B12R0.206 CCCCC(=O)CCCCCC#N 1458a_100000210183_100009813376 [0,2,0,0,0,0|1,0,0]=3 15512 B12R0.206 CCCCC(=O)CCCCCCF 1458a_100000210183_100015922095 [0,2,0,0,0,0|1,0,0]=3 15513 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100000210183_100000766143 [0,2,0,0,0,0|1,0,0]=3 15514 B12R0.206 CCCCC(=O)CCCCCCO 1458a_100011996774_100000210211 [0,2,0,0,0,0|1,0,0]=3 15515 B12R0.206 CCCCC(=O)CCCCCOC 1458a_100011935119_100000210211 [0,2,0,0,0,0|1,0,0]=3 15516 B12R0.206 CCCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210211 [0,2,0,0,0,0|2,0,0]=4 15517 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000210183_100000695917 [0,2,0,0,0,0|1,0,0]=3 15518 B12R0.206 CCCCC(=O)CCOCCOC 1458a_100000745395_100000210211 [0,2,0,0,0,0|1,0,0]=3 15519 B12R0.206 CCCCC(=O)NCCCCC#N 11a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 15520 B12R0.206 CCCCC(=O)NCCCCC#N 1626a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 15521 B12R0.206 CCCCC(=O)NCCCCC#N 240690a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 15522 B12R0.206 CCCCC(=O)NCCCCC#N 527a_100000751965_100000210183 [0,2,0,0,0,0|1,0,1]=4 15523 B12R0.206 CCCCC(=O)NCCCCCO 240690a_100000762737_100000210183 [0,2,0,0,0,0|1,0,0]=3 15524 B12R0.206 CCCCC(=O)NCCCOCC 11a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 15525 B12R0.206 CCCCC(=O)NCCCOCC 1626a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 15526 B12R0.206 CCCCC(=O)NCCCOCC 240690a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 15527 B12R0.206 CCCCC(=O)NCCCOCC 527a_100000210961_100000210183 [0,2,0,0,0,0|1,0,0]=3 15528 B12R0.206 CCCCC(=O)NCCOCCC 1626a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 15529 B12R0.206 CCCCC(=O)NCCOCCC 240690a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 15530 B12R0.206 CCCCC(=O)NCCOCCC 527a_100161115042_100000210183 [0,2,0,0,0,0|1,0,0]=3 15531 B12R0.206 CCCCC(=O)NCCOCCO 240690a_100000211614_100000210183 [0,2,0,0,0,0|2,0,0]=4 15532 B12R0.206 CCCCC(=O)NCCSCCC 11a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 15533 B12R0.206 CCCCC(=O)NCCSCCC 240690a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 15534 B12R0.206 CCCCC(=O)NCCSCCC 527a_100020603323_100000210183 [0,2,0,0,0,0|1,0,0]=3 15535 B12R0.206 CCCCC(=O)NCCSCCO 240690a_100011219999_100000210183 [0,2,0,0,0,0|2,0,0]=4 15536 B12R0.206 CCCCC(=O)NCCSCCO 527a_100011219999_100000210183 [0,2,0,0,0,0|2,0,0]=4 15537 B12R0.206 CCCCC(=O)NNCCCOC 22a_100025702787_100000210183 [0,2,0,0,0,0|2,0,0]=4 15538 B12R0.206 CCCCC(=O)NNCCOCC 22a_100000732670_100000210183 [0,2,0,0,0,0|2,0,0]=4 15539 B12R0.206 CCCCC=NNC(=O)CCCC 4a_100000189769_100000210104 [0,2,0,0,0,0|1,0,1]=4 15540 B12R0.206 CCCCCC#CC(=O)CCCC 1458a_100011215388_100000210211 [0,2,0,0,0,0|1,0,0]=3 15541 B12R0.206 CCCCCC#CC(=O)CCCF 1458a_100011215388_100011934791 [0,2,0,0,0,0|2,0,0]=4 15542 B12R0.206 CCCCCC#CC(=O)CCCO 1458a_100011215388_100011215043 [0,2,0,0,0,0|2,0,0]=4 15543 B12R0.206 CCCCCC#CC(=O)CCOC 1458a_100011215388_100000233755 [0,2,0,0,0,0|2,0,0]=4 15544 B12R0.206 CCCCCC#CC(=O)CCSC 1458a_100011215388_100000751147 [0,2,0,0,0,0|2,0,0]=4 15545 B12R0.206 CCCCCC#CC(=O)NCCC 240690a_100020643023_100011215388 [0,2,0,0,0,0|1,0,0]=3 15546 B12R0.206 CCCCCC#CC(=O)NCCF 240690a_100000724931_100011215388 [0,2,0,0,0,0|2,0,0]=4 15547 B12R0.206 CCCCCC#CC(=O)NCCO 240690a_100000210304_100011215388 [0,2,0,0,0,0|2,0,0]=4 15548 B12R0.206 CCCCCC#CC(=O)NNCC 22a_100000756455_100011215388 [0,2,0,0,0,0|2,0,0]=4 15549 B12R0.206 CCCCCC=CC(=O)CCCC 1458a_100016263427_100000210211 [0,2,0,0,0,0|1,0,0]=3 15550 B12R0.206 CCCCCC=CC(=O)CCCF 1458a_100016263427_100011934791 [0,2,0,0,0,0|2,0,0]=4 15551 B12R0.206 CCCCCC=CC(=O)CCCO 1458a_100016263427_100011215043 [0,2,0,0,0,0|2,0,0]=4 15552 B12R0.206 CCCCCC=CC(=O)CCOC 1458a_100016263427_100000233755 [0,2,0,0,0,0|2,0,0]=4 15553 B12R0.206 CCCCCC=CC(=O)CCSC 1458a_100016263427_100000751147 [0,2,0,0,0,0|2,0,0]=4 15554 B12R0.206 CCCCCC=CC(=O)NCCC 11a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 15555 B12R0.206 CCCCCC=CC(=O)NCCC 1626a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 15556 B12R0.206 CCCCCC=CC(=O)NCCC 240690a_100020643023_100016263427 [0,2,0,0,0,0|1,0,0]=3 15557 B12R0.206 CCCCCC=CC(=O)NCCF 11a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 15558 B12R0.206 CCCCCC=CC(=O)NCCF 1626a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 15559 B12R0.206 CCCCCC=CC(=O)NCCF 240690a_100000724931_100016263427 [0,2,0,0,0,0|2,0,0]=4 15560 B12R0.206 CCCCCC=CC(=O)NCCO 240690a_100000210304_100016263427 [0,2,0,0,0,0|2,0,0]=4 15561 B12R0.206 CCCCCC=CC(=O)NNCC 22a_100000756455_100016263427 [0,2,0,0,0,0|2,0,0]=4 15562 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000210183_100000210614 [0,2,0,0,0,0|1,0,0]=3 15563 B12R0.206 CCCCCCCC(=O)CCCC 1458a_100000211969_100000210211 [0,2,0,0,0,0|1,0,0]=3 15564 B12R0.206 CCCCCCCC(=O)CCCF 1458a_100000211969_100011934791 [0,2,0,0,0,0|2,0,0]=4 15565 B12R0.206 CCCCCCCC(=O)CCCO 1458a_100000211969_100011215043 [0,2,0,0,0,0|2,0,0]=4 15566 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000211969_100000233755 [0,2,0,0,0,0|2,0,0]=4 15567 B12R0.206 CCCCCCCC(=O)CCOC 1458a_100000749529_100000210614 [0,2,0,0,0,0|2,0,0]=4 15568 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000174002_100000210614 [0,2,0,0,0,0|2,0,0]=4 15569 B12R0.206 CCCCCCCC(=O)CCSC 1458a_100000211969_100000751147 [0,2,0,0,0,0|2,0,0]=4 15570 B12R0.206 CCCCCCCC(=O)COCC 1458a_100000211967_100000210614 [0,2,0,0,0,0|2,0,0]=4 15571 B12R0.206 CCCCCCCC(=O)CSCC 1458a_100000230394_100000210614 [0,2,0,0,0,0|2,0,0]=4 15572 B12R0.206 CCCCCCCC(=O)NCCC 11a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 15573 B12R0.206 CCCCCCCC(=O)NCCC 1626a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 15574 B12R0.206 CCCCCCCC(=O)NCCC 240690a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 15575 B12R0.206 CCCCCCCC(=O)NCCC 527a_100020643023_100000211969 [0,2,0,0,0,0|1,0,0]=3 15576 B12R0.206 CCCCCCCC(=O)NCCF 11a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 15577 B12R0.206 CCCCCCCC(=O)NCCF 1626a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 15578 B12R0.206 CCCCCCCC(=O)NCCF 240690a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 15579 B12R0.206 CCCCCCCC(=O)NCCF 527a_100000724931_100000211969 [0,2,0,0,0,0|2,0,0]=4 15580 B12R0.206 CCCCCCCC(=O)NCCO 240690a_100000210304_100000211969 [0,2,0,0,0,0|2,0,0]=4 15581 B12R0.206 CCCCCCCC(=O)NCCO 527a_100000210304_100000211969 [0,2,0,0,0,0|2,0,0]=4 15582 B12R0.206 CCCCCCCC(=O)NNCC 22a_100000756455_100000211969 [0,2,0,0,0,0|2,0,0]=4 15583 B12R0.206 CCCCCCCC(=O)OCNC 2230a_106832991635_100009852258 [0,2,0,0,0,0|1,0,0]=3 15584 B12R0.206 CCCCCCCC(=O)OCNC 34a_100102657272_100009852258 [0,2,0,0,0,0|1,0,0]=3 15585 B12R0.206 CCCCCCCC(=O)OCNC 7a_106832991635_100009852258 [0,2,0,0,0,0|1,0,0]=3 15586 B12R0.206 CCCCCCCC(=O)OCOC 34a_100138415774_100009852258 [0,2,0,0,0,0|1,0,0]=3 15587 B12R0.206 CCCCCCCC(=O)OCSC 62a_200000210301_100009852258 [0,2,0,0,0,0|1,0,0]=3 15588 B12R0.206 CCCCCCCC(=O)OCS[13CH3] 62a_200025704644_100009852258 [0,2,0,0,0,0|1,0,0]=3 15589 B12R0.206 CCCCCCCC(C)OCCC 34a_100000210258_200011218727 [0,2,0,0,0,0|1,0,1]=4 15590 B12R0.206 CCCCCCCC(C)OCCC 34a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 15591 B12R0.206 CCCCCCCC(C)OCCC 7a_200011215852_100000210303 [0,2,0,0,0,0|1,0,1]=4 15592 B12R0.206 CCCCCCNC(=O)CCCC 11a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 15593 B12R0.206 CCCCCCNC(=O)CCCC 1626a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 15594 B12R0.206 CCCCCCNC(=O)CCCC 240690a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 15595 B12R0.206 CCCCCCNC(=O)CCCC 527a_100000210581_100000210183 [0,2,0,0,0,0|1,0,0]=3 15596 B12R0.206 CCCCCCNC(=O)CCOC 11a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 15597 B12R0.206 CCCCCCNC(=O)CCOC 1626a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 15598 B12R0.206 CCCCCCNC(=O)CCOC 240690a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 15599 B12R0.206 CCCCCCNC(=O)CCOC 527a_100000210581_100000749529 [0,2,0,0,0,0|2,0,0]=4 15600 B12R0.206 CCCCCCNC(=O)CCSC 11a_100000210581_100000174002 [0,2,0,0,0,0|2,0,0]=4 15601 B12R0.206 CCCCCCNC(=O)CCSC 1626a_100000210581_100000174002 [0,2,0,0,0,0|2,0,0]=4 15602 B12R0.206 CCCCCCNC(=O)CCSC 240690a_100000210581_100000174002 [0,2,0,0,0,0|2,0,0]=4 15603 B12R0.206 CCCCCCNC(=O)CCSC 527a_100000210581_100000174002 [0,2,0,0,0,0|2,0,0]=4 15604 B12R0.206 CCCCCCNC(=O)CNCC 2230a_100015525214_100000230325 [0,2,0,0,0,0|2,0,0]=4 15605 B12R0.206 CCCCCCNC(=O)COCC 11a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 15606 B12R0.206 CCCCCCNC(=O)COCC 1626a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 15607 B12R0.206 CCCCCCNC(=O)COCC 240690a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 15608 B12R0.206 CCCCCCNC(=O)COCC 34a_100121572206_100000230325 [0,2,0,0,0,0|2,0,0]=4 15609 B12R0.206 CCCCCCNC(=O)COCC 527a_100000210581_100000211967 [0,2,0,0,0,0|2,0,0]=4 15610 B12R0.206 CCCCCCNC(=O)CSCC 11a_100000210581_100000230394 [0,2,0,0,0,0|2,0,0]=4 15611 B12R0.206 CCCCCCNC(=O)CSCC 1626a_100000210581_100000230394 [0,2,0,0,0,0|2,0,0]=4 15612 B12R0.206 CCCCCCNC(=O)CSCC 240690a_100000210581_100000230394 [0,2,0,0,0,0|2,0,0]=4 15613 B12R0.206 CCCCCCNC(=O)CSCC 527a_100000210581_100000230394 [0,2,0,0,0,0|2,0,0]=4 15614 B12R0.206 CCCCCCNC(=O)CSCC 62a_100000230325_100000210202 [0,2,0,0,0,0|2,0,0]=4 15615 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 15616 B12R0.206 CCCCCCNC(=O)NCCC 2708a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 15617 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 15618 B12R0.206 CCCCCCNC(=O)NCCC 273464a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 15619 B12R0.206 CCCCCCNC(=O)NCCC 512a_100000210581_100020643023 [0,2,0,0,0,0|1,0,0]=3 15620 B12R0.206 CCCCCCNC(=O)NCCC 512a_100020643023_100000210581 [0,2,0,0,0,0|1,0,0]=3 15621 B12R0.206 CCCCCCNC(=O)NCCF 2708a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 15622 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 15623 B12R0.206 CCCCCCNC(=O)NCCF 273464a_100000724931_100000210581 [0,2,0,0,0,0|2,0,0]=4 15624 B12R0.206 CCCCCCNC(=O)NCCF 512a_100000210581_100000724931 [0,2,0,0,0,0|2,0,0]=4 15625 B12R0.206 CCCCCCNC(=O)NCCO 2708a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 15626 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210304_100000210581 [0,2,0,0,0,0|2,0,0]=4 15627 B12R0.206 CCCCCCNC(=O)NCCO 273464a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 15628 B12R0.206 CCCCCCNC(=O)NCCO 512a_100000210581_100000210304 [0,2,0,0,0,0|2,0,0]=4 15629 B12R0.206 CCCCCCNC(=O)NNCC 273464a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 15630 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000210581_100000756455 [0,2,0,0,0,0|2,0,0]=4 15631 B12R0.206 CCCCCCNC(=O)NNCC 512a_100000756455_100000210581 [0,2,0,0,0,0|2,0,0]=4 15632 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000174927_100000210326 [0,2,0,0,0,0|1,0,0]=3 15633 B12R0.206 CCCCCNCC(=O)NCCC 2230a_100000209983_100000183358 [0,2,0,0,0,0|1,0,0]=3 15634 B12R0.206 CCCCCNCC(=O)NCCF 2230a_100000725713_100000210326 [0,2,0,0,0,0|2,0,0]=4 15635 B12R0.206 CCCCCNCC(=O)OCCC 2230a_100000209983_200011215008 [0,2,0,0,0,0|0,0,0]=2 15636 B12R0.206 CCCCCNCC(C)OCCC 2230a_100015185124_100000210326 [0,2,0,0,0,0|1,0,1]=4 15637 B12R0.206 CCCCCNCC(C)OCCC 34a_100015185124_100000718602 [0,2,0,0,0,0|1,0,1]=4 15638 B12R0.206 CCCCCNN=C(C)CCCC 4a_100000694160_100000210087 [0,2,0,0,0,0|2,0,0]=4 15639 B12R0.206 CCCCCNNC(=O)CCCC 22a_100000694160_100000210183 [0,2,0,0,0,0|1,0,0]=3 15640 B12R0.206 CCCCCNNC(=O)CCOC 22a_100000694160_100000749529 [0,2,0,0,0,0|2,0,0]=4 15641 B12R0.206 CCCCCNNC(=O)CCSC 22a_100000694160_100000174002 [0,2,0,0,0,0|2,0,0]=4 15642 B12R0.206 CCCCCNNC(=O)COCC 22a_100000694160_100000211967 [0,2,0,0,0,0|2,0,0]=4 15643 B12R0.206 CCCCCNNC(=O)CSCC 22a_100000694160_100000230394 [0,2,0,0,0,0|2,0,0]=4 15644 B12R0.206 CCCCCNNC(=O)NCCC 273464a_100020643023_100000694160 [0,2,0,0,0,0|1,0,0]=3 15645 B12R0.206 CCCCCNNC(=O)NCCC 512a_100000694160_100020643023 [0,2,0,0,0,0|1,0,0]=3 15646 B12R0.206 CCCCCNNC(=O)NCCC 512a_100020643023_100000694160 [0,2,0,0,0,0|1,0,0]=3 15647 B12R0.206 CCCCCNNC(=O)NCCF 273464a_100000724931_100000694160 [0,2,0,0,0,0|2,0,0]=4 15648 B12R0.206 CCCCCNNC(=O)NCCF 512a_100000694160_100000724931 [0,2,0,0,0,0|2,0,0]=4 15649 B12R0.206 CCCCCNNC(=O)NCCO 273464a_100000210304_100000694160 [0,2,0,0,0,0|2,0,0]=4 15650 B12R0.206 CCCCCNNC(=O)NCCO 512a_100000694160_100000210304 [0,2,0,0,0,0|2,0,0]=4 15651 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000694160_100000756455 [0,2,0,0,0,0|2,0,0]=4 15652 B12R0.206 CCCCCNNC(=O)NNCC 512a_100000756455_100000694160 [0,2,0,0,0,0|2,0,0]=4 15653 B12R0.206 CCCCCOCC(=O)NCCC 34a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 15654 B12R0.206 CCCCCOCC(=O)NCCC 7a_100000210253_100000183358 [0,2,0,0,0,0|1,0,0]=3 15655 B12R0.206 CCCCCOCC(=O)OCCC 34a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 15656 B12R0.206 CCCCCOCC(=O)OCCC 7a_100000210253_200011215008 [0,2,0,0,0,0|0,0,0]=2 15657 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000183358_100000210326 [0,2,0,0,0,0|1,0,0]=3 15658 B12R0.206 CCCCCSCC(=O)NCCC 62a_100000210326_100000183358 [0,2,0,0,0,0|1,0,0]=3 15659 B12R0.206 CCCCCSCC(=O)OCCC 62a_100000210326_200011215008 [0,2,0,0,0,0|0,0,0]=2 15660 B12R0.206 CCCCCSCC(=O)OCCC 62a_200011215008_100000210326 [0,2,0,0,0,0|0,0,0]=2 15661 B12R0.206 CCCCNCOC(=O)OCCC 7a_106832991798_200000139673 [0,2,0,0,0,0|0,0,0]=2 15662 B12R0.206 CCCCOCCC(=O)CCCC 1458a_100000210183_100000743108 [0,2,0,0,0,0|1,0,0]=3 15663 B12R0.206 CCCCOCCC(=O)CCOC 1458a_100000749529_100000743108 [0,2,0,0,0,0|2,0,0]=4 15664 B12R0.206 CCCCOCCC(=O)CCSC 1458a_100000174002_100000743108 [0,2,0,0,0,0|2,0,0]=4 15665 B12R0.206 CCCCOCCC(=O)COCC 1458a_100000211967_100000743108 [0,2,0,0,0,0|2,0,0]=4 15666 B12R0.206 CCCCOCCC(=O)CSCC 1458a_100000230394_100000743108 [0,2,0,0,0,0|2,0,0]=4 15667 B12R0.206 CCCCOCOC(=O)OCCC 34a_100000210227_200000139673 [0,2,0,0,0,0|0,0,0]=2 15668 B12R0.206 CCCCOCOC(=O)OCCC 7a_100000210227_200000139673 [0,2,0,0,0,0|0,0,0]=2 15669 B12R0.206 CCCCSCOC(=O)OCCC 62a_100000210211_200000139673 [0,2,0,0,0,0|0,0,0]=2 15670 B12R0.206 CCCNC(=O)CCCCCCO 240690a_100020643023_100011996774 [0,2,0,0,0,0|1,0,0]=3 15671 B12R0.206 CCCNC(=O)CCCCCOC 11a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 15672 B12R0.206 CCCNC(=O)CCCCCOC 1626a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 15673 B12R0.206 CCCNC(=O)CCCCCOC 240690a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 15674 B12R0.206 CCCNC(=O)CCCCCOC 527a_100020643023_100011935119 [0,2,0,0,0,0|1,0,0]=3 15675 B12R0.206 CCCNC(=O)CCCCN=[N+]=[N-] 11a_100020643023_100000070148 [0,2,0,0,0,0|2,0,0]=4 15676 B12R0.206 CCCNC(=O)CCCCN=[N+]=[N-] 240690a_100020643023_100000070148 [0,2,0,0,0,0|2,0,0]=4 15677 B12R0.206 CCCNC(=O)CCCCN=[N+]=[N-] 527a_100020643023_100000070148 [0,2,0,0,0,0|2,0,0]=4 15678 B12R0.206 CCCNC(=O)CCCNCCO 2230a_100016997473_100011194427 [0,2,0,0,0,0|1,0,0]=3 15679 B12R0.206 CCCNC(=O)CCCSCC#N 62a_100011194427_100011215382 [0,2,0,0,0,0|1,0,1]=4 15680 B12R0.206 CCCNC(=O)CCCSCC#N 62a_100011215382_100011194427 [0,2,0,0,0,0|1,0,1]=4 15681 B12R0.206 CCCNC(=O)CCCSCC=O 62a_100011194427_200015260668 [0,2,0,0,0,0|1,0,1]=4 15682 B12R0.206 CCCNC(=O)CCCSCC=O 62a_200015260668_100011194427 [0,2,0,0,0,0|1,0,1]=4 15683 B12R0.206 CCCNC(=O)CCCSCCC 62a_100000210303_100011194427 [0,2,0,0,0,0|1,0,0]=3 15684 B12R0.206 CCCNC(=O)CCCSCCC 62a_100011194427_100000210303 [0,2,0,0,0,0|1,0,0]=3 15685 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011194427_100011217306 [0,2,0,0,0,0|1,0,0]=3 15686 B12R0.206 CCCNC(=O)CCCSCCF 62a_100011217306_100011194427 [0,2,0,0,0,0|1,0,0]=3 15687 B12R0.206 CCCNC(=O)CCCSCCO 62a_100000211926_100011194427 [0,2,0,0,0,0|1,0,0]=3 15688 B12R0.206 CCCNC(=O)CCCSCCO 62a_100011194427_100000211926 [0,2,0,0,0,0|1,0,0]=3 15689 B12R0.206 CCCNC(=O)CCCSCOC 62a_100000766300_100011194427 [0,2,0,0,0,0|1,0,0]=3 15690 B12R0.206 CCCNC(=O)CCCSCOC 62a_100011194427_100000766300 [0,2,0,0,0,0|1,0,0]=3 15691 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011194427_100011218213 [0,2,0,0,0,0|1,0,0]=3 15692 B12R0.206 CCCNC(=O)CCCSCSC 62a_100011218213_100011194427 [0,2,0,0,0,0|1,0,0]=3 15693 B12R0.206 CCCNC(=O)CCOCCOC 11a_100020643023_100000745395 [0,2,0,0,0,0|1,0,0]=3 15694 B12R0.206 CCCNC(=O)CCOCCOC 1626a_100020643023_100000745395 [0,2,0,0,0,0|1,0,0]=3 15695 B12R0.206 CCCNC(=O)CCOCCOC 240690a_100020643023_100000745395 [0,2,0,0,0,0|1,0,0]=3 15696 B12R0.206 CCCNC(=O)CCOCCOC 527a_100020643023_100000745395 [0,2,0,0,0,0|1,0,0]=3 15697 B12R0.206 CCCNC(=O)CNCCCC#N 2230a_100000174927_100000687738 [0,2,0,0,0,0|1,0,1]=4 15698 B12R0.206 CCCNC(=O)CNCCCC=O 2230a_100000174927_200011292268 [0,2,0,0,0,0|1,0,1]=4 15699 B12R0.206 CCCNC(=O)CNCCCCF 2230a_100000174927_100000729493 [0,2,0,0,0,0|1,0,0]=3 15700 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000174927_100000210776 [0,2,0,0,0,0|1,0,0]=3 15701 B12R0.206 CCCNC(=O)CNCCCCO 2230a_100000750430_100000183358 [0,2,0,0,0,0|1,0,0]=3 15702 B12R0.206 CCCNC(=O)CNCCCCO 34a_100000750430_100000183358 [0,2,0,0,0,0|1,0,0]=3 15703 B12R0.206 CCCNC(=O)CNCCCOC 2230a_100000174927_100000740836 [0,2,0,0,0,0|1,0,0]=3 15704 B12R0.206 CCCNC(=O)CNCCCOC 34a_100150723488_100000183358 [0,2,0,0,0,0|1,0,0]=3 15705 B12R0.206 CCCNC(=O)CNCCCSC 2230a_100000749238_100000183358 [0,2,0,0,0,0|1,0,0]=3 15706 B12R0.206 CCCNC(=O)CNCCOCC 2230a_100000174927_100011215890 [0,2,0,0,0,0|1,0,0]=3 15707 B12R0.206 CCCNC(=O)CNCCOCC 2230a_102516460346_100000183358 [0,2,0,0,0,0|1,0,0]=3 15708 B12R0.206 CCCNC(=O)CNCCOCC 34a_102516460346_100000183358 [0,2,0,0,0,0|1,0,0]=3 15709 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000106463_100000183358 [0,2,0,0,0,0|1,0,0]=3 15710 B12R0.206 CCCNC(=O)CNCCSCC 2230a_100000174927_100000757381 [0,2,0,0,0,0|1,0,0]=3 15711 B12R0.206 CCCNC(=O)COCCCCBr 34a_100011216708_100000183358 [0,2,0,0,0,0|1,0,0]=3 15712 B12R0.206 CCCNC(=O)COCCCCCl 34a_100000210776_100000183358 [0,2,0,0,0,0|1,0,0]=3 15713 B12R0.206 CCCNC(=O)COCCCCCl 7a_100000210776_100000183358 [0,2,0,0,0,0|1,0,0]=3 15714 B12R0.206 CCCNC(=O)COCCCCF 34a_100011995726_100000183358 [0,2,0,0,0,0|1,0,0]=3 15715 B12R0.206 CCCNC(=O)COCCCCF 7a_100011995726_100000183358 [0,2,0,0,0,0|1,0,0]=3 15716 B12R0.206 CCCNC(=O)COCCCCI 34a_200012148704_100000183358 [0,2,0,0,0,0|1,0,0]=3 15717 B12R0.206 CCCNC(=O)COCCCCN 34a_100000750430_100000183358 [0,2,0,0,0,0|1,0,0]=3 15718 B12R0.206 CCCNC(=O)COCCCNC 34a_100000213112_100000183358 [0,2,0,0,0,0|1,0,0]=3 15719 B12R0.206 CCCNC(=O)COCCCOC 34a_100000740835_100000183358 [0,2,0,0,0,0|1,0,0]=3 15720 B12R0.206 CCCNC(=O)COCCCSC 34a_100000690336_100000183358 [0,2,0,0,0,0|1,0,0]=3 15721 B12R0.206 CCCNC(=O)COCCCSC 7a_100000690336_100000183358 [0,2,0,0,0,0|1,0,0]=3 15722 B12R0.206 CCCNC(=O)COCCOCC 34a_100000210136_100000183358 [0,2,0,0,0,0|1,0,0]=3 15723 B12R0.206 CCCNC(=O)COCCOCC 7a_100000210136_100000183358 [0,2,0,0,0,0|1,0,0]=3 15724 B12R0.206 CCCNC(=O)COCCSCC 34a_100000212035_100000183358 [0,2,0,0,0,0|1,0,0]=3 15725 B12R0.206 CCCNC(=O)COCCSCC 7a_100000212035_100000183358 [0,2,0,0,0,0|1,0,0]=3 15726 B12R0.206 CCCNC(=O)CSCCCC#N 62a_100000183358_100000687738 [0,2,0,0,0,0|1,0,1]=4 15727 B12R0.206 CCCNC(=O)CSCCCC#N 62a_100000687738_100000183358 [0,2,0,0,0,0|1,0,1]=4 15728 B12R0.206 CCCNC(=O)CSCCCC=O 62a_100000183358_200011292268 [0,2,0,0,0,0|1,0,1]=4 15729 B12R0.206 CCCNC(=O)CSCCCC=O 62a_200011292268_100000183358 [0,2,0,0,0,0|1,0,1]=4 15730 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000183358_100000729493 [0,2,0,0,0,0|1,0,0]=3 15731 B12R0.206 CCCNC(=O)CSCCCCF 62a_100000729493_100000183358 [0,2,0,0,0,0|1,0,0]=3 15732 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000183358_100000210776 [0,2,0,0,0,0|1,0,0]=3 15733 B12R0.206 CCCNC(=O)CSCCCCO 62a_100000210776_100000183358 [0,2,0,0,0,0|1,0,0]=3 15734 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000183358_100000709357 [0,2,0,0,0,0|1,0,0]=3 15735 B12R0.206 CCCNC(=O)CSCCCOC 62a_100000709357_100000183358 [0,2,0,0,0,0|1,0,0]=3 15736 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000183358_100011215890 [0,2,0,0,0,0|1,0,0]=3 15737 B12R0.206 CCCNC(=O)CSCCOCC 62a_100000210147_100000183358 [0,2,0,0,0,0|1,0,0]=3 15738 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000183358_100000757381 [0,2,0,0,0,0|1,0,0]=3 15739 B12R0.206 CCCNC(=O)CSCCSCC 62a_100000757381_100000183358 [0,2,0,0,0,0|1,0,0]=3 15740 B12R0.206 CCCNC(=O)NCCCCC#N 2708a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 15741 B12R0.206 CCCNC(=O)NCCCCC#N 2708a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 15742 B12R0.206 CCCNC(=O)NCCCCC#N 273464a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 15743 B12R0.206 CCCNC(=O)NCCCCC#N 273464a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 15744 B12R0.206 CCCNC(=O)NCCCCC#N 512a_100000751965_100020643023 [0,2,0,0,0,0|1,0,1]=4 15745 B12R0.206 CCCNC(=O)NCCCCC#N 512a_100020643023_100000751965 [0,2,0,0,0,0|1,0,1]=4 15746 B12R0.206 CCCNC(=O)NCCCCCO 2708a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 15747 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100000762737_100020643023 [0,2,0,0,0,0|1,0,0]=3 15748 B12R0.206 CCCNC(=O)NCCCCCO 273464a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 15749 B12R0.206 CCCNC(=O)NCCCCCO 512a_100000762737_100020643023 [0,2,0,0,0,0|1,0,0]=3 15750 B12R0.206 CCCNC(=O)NCCCCCO 512a_100020643023_100000762737 [0,2,0,0,0,0|1,0,0]=3 15751 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 15752 B12R0.206 CCCNC(=O)NCCCOCC 2708a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 15753 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 15754 B12R0.206 CCCNC(=O)NCCCOCC 273464a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 15755 B12R0.206 CCCNC(=O)NCCCOCC 512a_100000210961_100020643023 [0,2,0,0,0,0|1,0,0]=3 15756 B12R0.206 CCCNC(=O)NCCCOCC 512a_100020643023_100000210961 [0,2,0,0,0,0|1,0,0]=3 15757 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 15758 B12R0.206 CCCNC(=O)NCCOCCC 2708a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 15759 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 15760 B12R0.206 CCCNC(=O)NCCOCCC 273464a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 15761 B12R0.206 CCCNC(=O)NCCOCCC 512a_100020643023_100161115042 [0,2,0,0,0,0|1,0,0]=3 15762 B12R0.206 CCCNC(=O)NCCOCCC 512a_100161115042_100020643023 [0,2,0,0,0,0|1,0,0]=3 15763 B12R0.206 CCCNC(=O)NCCOCCO 2708a_100020643023_100000211614 [0,2,0,0,0,0|2,0,0]=4 15764 B12R0.206 CCCNC(=O)NCCOCCO 273464a_100000211614_100020643023 [0,2,0,0,0,0|2,0,0]=4 15765 B12R0.206 CCCNC(=O)NCCOCCO 273464a_100020643023_100000211614 [0,2,0,0,0,0|2,0,0]=4 15766 B12R0.206 CCCNC(=O)NCCOCCO 512a_100000211614_100020643023 [0,2,0,0,0,0|2,0,0]=4 15767 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 15768 B12R0.206 CCCNC(=O)NCCSCCC 2708a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 15769 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 15770 B12R0.206 CCCNC(=O)NCCSCCC 273464a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 15771 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020603323_100020643023 [0,2,0,0,0,0|1,0,0]=3 15772 B12R0.206 CCCNC(=O)NCCSCCC 512a_100020643023_100020603323 [0,2,0,0,0,0|1,0,0]=3 15773 B12R0.206 CCCNC(=O)NCCSCCO 2708a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 15774 B12R0.206 CCCNC(=O)NCCSCCO 273464a_100011219999_100020643023 [0,2,0,0,0,0|2,0,0]=4 15775 B12R0.206 CCCNC(=O)NCCSCCO 273464a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 15776 B12R0.206 CCCNC(=O)NCCSCCO 512a_100011219999_100020643023 [0,2,0,0,0,0|2,0,0]=4 15777 B12R0.206 CCCNC(=O)NCCSCCO 512a_100020643023_100011219999 [0,2,0,0,0,0|2,0,0]=4 15778 B12R0.206 CCCNC(=O)NNCCCOC 273464a_100020643023_100025702787 [0,2,0,0,0,0|2,0,0]=4 15779 B12R0.206 CCCNC(=O)NNCCCOC 512a_100020643023_100025702787 [0,2,0,0,0,0|2,0,0]=4 15780 B12R0.206 CCCNC(=O)NNCCOCC 273464a_100020643023_100000732670 [0,2,0,0,0,0|2,0,0]=4 15781 B12R0.206 CCCNC(=O)NNCCOCC 512a_100000732670_100020643023 [0,2,0,0,0,0|2,0,0]=4 15782 B12R0.206 CCCNC(=O)NNCCOCC 512a_100020643023_100000732670 [0,2,0,0,0,0|2,0,0]=4 15783 B12R0.206 CCCOC(=O)CNCCCCO 2230a_100000750430_200011215008 [0,2,0,0,0,0|0,0,0]=2 15784 B12R0.206 CCCOC(=O)CNCCCCO 34a_100000750430_200011215008 [0,2,0,0,0,0|0,0,0]=2 15785 B12R0.206 CCCOC(=O)CNCCCOC 34a_100150723488_200011215008 [0,2,0,0,0,0|0,0,0]=2 15786 B12R0.206 CCCOC(=O)CNCCCSC 2230a_100000749238_200011215008 [0,2,0,0,0,0|0,0,0]=2 15787 B12R0.206 CCCOC(=O)CNCCOCC 2230a_102516460346_200011215008 [0,2,0,0,0,0|0,0,0]=2 15788 B12R0.206 CCCOC(=O)CNCCOCC 34a_102516460346_200011215008 [0,2,0,0,0,0|0,0,0]=2 15789 B12R0.206 CCCOC(=O)CNCCSCC 2230a_100000106463_200011215008 [0,2,0,0,0,0|0,0,0]=2 15790 B12R0.206 CCCOC(=O)COCC#CCCl 34a_200000047223_200011215008 [0,2,0,0,0,0|0,0,2]=4 15791 B12R0.206 CCCOC(=O)COCCCCBr 34a_100011216708_200011215008 [0,2,0,0,0,0|0,0,0]=2 15792 B12R0.206 CCCOC(=O)COCCCCCl 34a_100000210776_200011215008 [0,2,0,0,0,0|0,0,0]=2 15793 B12R0.206 CCCOC(=O)COCCCCCl 7a_100000210776_200011215008 [0,2,0,0,0,0|0,0,0]=2 15794 B12R0.206 CCCOC(=O)COCCCCF 34a_100011995726_200011215008 [0,2,0,0,0,0|0,0,0]=2 15795 B12R0.206 CCCOC(=O)COCCCCF 7a_100011995726_200011215008 [0,2,0,0,0,0|0,0,0]=2 15796 B12R0.206 CCCOC(=O)COCCCCI 34a_200012148704_200011215008 [0,2,0,0,0,0|0,0,0]=2 15797 B12R0.206 CCCOC(=O)COCCCCN 34a_100000750430_200011215008 [0,2,0,0,0,0|0,0,0]=2 15798 B12R0.206 CCCOC(=O)COCCCNC 34a_100000213112_200011215008 [0,2,0,0,0,0|0,0,0]=2 15799 B12R0.206 CCCOC(=O)COCCCOC 34a_100000740835_200011215008 [0,2,0,0,0,0|0,0,0]=2 15800 B12R0.206 CCCOC(=O)COCCCSC 34a_100000690336_200011215008 [0,2,0,0,0,0|0,0,0]=2 15801 B12R0.206 CCCOC(=O)COCCCSC 7a_100000690336_200011215008 [0,2,0,0,0,0|0,0,0]=2 15802 B12R0.206 CCCOC(=O)COCCOCC 34a_100000210136_200011215008 [0,2,0,0,0,0|0,0,0]=2 15803 B12R0.206 CCCOC(=O)COCCOCC 7a_100000210136_200011215008 [0,2,0,0,0,0|0,0,0]=2 15804 B12R0.206 CCCOC(=O)COCCSCC 34a_100000212035_200011215008 [0,2,0,0,0,0|0,0,0]=2 15805 B12R0.206 CCCOC(=O)COCCSCC 7a_100000212035_200011215008 [0,2,0,0,0,0|0,0,0]=2 15806 B12R0.206 CCCOC(=O)CSCC#CCO 62a_200000047223_200011215008 [0,2,0,0,0,0|0,0,2]=4 15807 B12R0.206 CCCOC(=O)CSCC#CCO 62a_200011215008_200000047223 [0,2,0,0,0,0|0,0,2]=4 15808 B12R0.206 CCCOC(=O)CSCCCC#N 62a_100000687738_200011215008 [0,2,0,0,0,0|0,0,1]=3 15809 B12R0.206 CCCOC(=O)CSCCCC#N 62a_200011215008_100000687738 [0,2,0,0,0,0|0,0,1]=3 15810 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011215008_200011292268 [0,2,0,0,0,0|0,0,1]=3 15811 B12R0.206 CCCOC(=O)CSCCCC=O 62a_200011292268_200011215008 [0,2,0,0,0,0|0,0,1]=3 15812 B12R0.206 CCCOC(=O)CSCCCCF 62a_100000729493_200011215008 [0,2,0,0,0,0|0,0,0]=2 15813 B12R0.206 CCCOC(=O)CSCCCCF 62a_200011215008_100000729493 [0,2,0,0,0,0|0,0,0]=2 15814 B12R0.206 CCCOC(=O)CSCCCCO 62a_100000210776_200011215008 [0,2,0,0,0,0|0,0,0]=2 15815 B12R0.206 CCCOC(=O)CSCCCCO 62a_200011215008_100000210776 [0,2,0,0,0,0|0,0,0]=2 15816 B12R0.206 CCCOC(=O)CSCCCOC 62a_100000709357_200011215008 [0,2,0,0,0,0|0,0,0]=2 15817 B12R0.206 CCCOC(=O)CSCCCOC 62a_200011215008_100000709357 [0,2,0,0,0,0|0,0,0]=2 15818 B12R0.206 CCCOC(=O)CSCCOCC 62a_100000210147_200011215008 [0,2,0,0,0,0|0,0,0]=2 15819 B12R0.206 CCCOC(=O)CSCCOCC 62a_200011215008_100011215890 [0,2,0,0,0,0|0,0,0]=2 15820 B12R0.206 CCCOC(=O)CSCCSC#N 62a_100000034367_200011215008 [0,2,0,0,0,0|1,0,1]=4 15821 B12R0.206 CCCOC(=O)CSCCSC#N 62a_200011215008_100000034367 [0,2,0,0,0,0|1,0,1]=4 15822 B12R0.206 CCCOC(=O)CSCCSCC 62a_100000757381_200011215008 [0,2,0,0,0,0|0,0,0]=2 15823 B12R0.206 CCCOC(=O)CSCCSCC 62a_200011215008_100000757381 [0,2,0,0,0,0|0,0,0]=2 15824 B12R0.206 CCCOC(=O)OCNCCCF 34a_100015189416_200000139673 [0,2,0,0,0,0|1,0,0]=3 15825 B12R0.206 CCCOC(=O)OCOCCCBr 34a_100011217188_200000139673 [0,2,0,0,0,0|1,0,0]=3 15826 B12R0.206 CCCOC(=O)OCOCCCCl 34a_100000230001_200000139673 [0,2,0,0,0,0|1,0,0]=3 15827 B12R0.206 CCCOC(=O)OCOCCCF 34a_100000759539_200000139673 [0,2,0,0,0,0|1,0,0]=3 15828 B12R0.206 CCCOC(=O)OCOCCCN 34a_100000182051_200000139673 [0,2,0,0,0,0|1,0,0]=3 15829 B12R0.206 CCCOC(=O)OCOCCOC 34a_100000210237_200000139673 [0,2,0,0,0,0|1,0,0]=3 15830 B12R0.206 CCCOC(=O)OCOCCON 34a_100000700252_200000139673 [0,2,0,0,0,0|2,0,0]=4 15831 B12R0.206 CCCOC(=O)OCOCCSC 34a_100000230434_200000139673 [0,2,0,0,0,0|1,0,0]=3 15832 B12R0.206 CCCOC(=O)OCOCCSC 7a_100000230434_200000139673 [0,2,0,0,0,0|1,0,0]=3 15833 B12R0.206 CCCOC(=O)OCSCCC#N 62a_100011215226_200000139673 [0,2,0,0,0,0|1,0,1]=4 15834 B12R0.206 CCCOC(=O)OCSCCCF 62a_100011934791_200000139673 [0,2,0,0,0,0|1,0,0]=3 15835 B12R0.206 CCCOC(=O)OCSCCCO 62a_100011215043_200000139673 [0,2,0,0,0,0|1,0,0]=3 15836 B12R0.206 CCCOC(=O)OCSCCOC 62a_100000233755_200000139673 [0,2,0,0,0,0|1,0,0]=3 15837 B12R0.206 CCCOC(=O)OCSCCSC 62a_100000212216_200000139673 [0,2,0,0,0,0|1,0,0]=3 15838 B12R0.206 CCCOC(=O)OCSCOCC 62a_100000739092_200000139673 [0,2,0,0,0,0|1,0,0]=3 15839 B12R0.206 CCCOC(C)CNCCCCF 2230a_100015185124_100000729493 [0,2,0,0,0,0|1,0,1]=4 15840 B12R0.206 CCCOC(C)CNCCCCF 34a_100015185124_100000729493 [0,2,0,0,0,0|1,0,1]=4 15841 B12R0.206 CCCOC(C)CNCCCCO 2230a_100015185124_100000210776 [0,2,0,0,0,0|1,0,1]=4 15842 B12R0.206 CCCOC(C)CNCCCCO 34a_100015185124_100011216708 [0,2,0,0,0,0|1,0,1]=4 15843 B12R0.206 CCCOC(C)CNCCCOC 2230a_100015185124_100000740836 [0,2,0,0,0,0|1,0,1]=4 15844 B12R0.206 CCCOC(C)CNCCCOC 34a_100015185124_100000740836 [0,2,0,0,0,0|1,0,1]=4 15845 B12R0.206 CCCOC(C)CNCCOCC 2230a_100015185124_100011215890 [0,2,0,0,0,0|1,0,1]=4 15846 B12R0.206 CCCOC(C)CNCCOCC 34a_100015185124_100000210147 [0,2,0,0,0,0|1,0,1]=4 15847 B12R0.206 CCCOC(C)CNCCSCC 2230a_100015185124_100000757381 [0,2,0,0,0,0|1,0,1]=4 15848 B12R0.206 CCCOC(C)CNCCSCC 34a_100015185124_100000757381 [0,2,0,0,0,0|1,0,1]=4 15849 B12R0.206 CCCOCCNC(=O)CCOC 1626a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 15850 B12R0.206 CCCOCCNC(=O)CCOC 240690a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 15851 B12R0.206 CCCOCCNC(=O)CCOC 527a_100161115042_100000749529 [0,2,0,0,0,0|2,0,0]=4 15852 B12R0.206 CCCOCCNC(=O)CCSC 1626a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 15853 B12R0.206 CCCOCCNC(=O)CCSC 240690a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 15854 B12R0.206 CCCOCCNC(=O)CCSC 527a_100161115042_100000174002 [0,2,0,0,0,0|2,0,0]=4 15855 B12R0.206 CCCOCCNC(=O)COCC 1626a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 15856 B12R0.206 CCCOCCNC(=O)COCC 240690a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 15857 B12R0.206 CCCOCCNC(=O)COCC 527a_100161115042_100000211967 [0,2,0,0,0,0|2,0,0]=4 15858 B12R0.206 CCCOCCNC(=O)CSCC 1626a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 15859 B12R0.206 CCCOCCNC(=O)CSCC 240690a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 15860 B12R0.206 CCCOCCNC(=O)CSCC 527a_100161115042_100000230394 [0,2,0,0,0,0|2,0,0]=4 15861 B12R0.206 CCCOCCNC(=O)NCCF 2708a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 15862 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100000724931_100161115042 [0,2,0,0,0,0|2,0,0]=4 15863 B12R0.206 CCCOCCNC(=O)NCCF 273464a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 15864 B12R0.206 CCCOCCNC(=O)NCCF 512a_100161115042_100000724931 [0,2,0,0,0,0|2,0,0]=4 15865 B12R0.206 CCCOCCNC(=O)NCCO 2708a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 15866 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100000210304_100161115042 [0,2,0,0,0,0|2,0,0]=4 15867 B12R0.206 CCCOCCNC(=O)NCCO 273464a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 15868 B12R0.206 CCCOCCNC(=O)NCCO 512a_100161115042_100000210304 [0,2,0,0,0,0|2,0,0]=4 15869 B12R0.206 CCCOCCNC(=O)NNCC 273464a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 15870 B12R0.206 CCCOCCNC(=O)NNCC 512a_100000756455_100161115042 [0,2,0,0,0,0|2,0,0]=4 15871 B12R0.206 CCCOCCNC(=O)NNCC 512a_100161115042_100000756455 [0,2,0,0,0,0|2,0,0]=4 15872 B12R0.206 CCCSCCNC(=O)CCOC 11a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 15873 B12R0.206 CCCSCCNC(=O)CCOC 240690a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 15874 B12R0.206 CCCSCCNC(=O)CCOC 527a_100020603323_100000749529 [0,2,0,0,0,0|2,0,0]=4 15875 B12R0.206 CCCSCCNC(=O)CCSC 11a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 15876 B12R0.206 CCCSCCNC(=O)CCSC 240690a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 15877 B12R0.206 CCCSCCNC(=O)CCSC 527a_100020603323_100000174002 [0,2,0,0,0,0|2,0,0]=4 15878 B12R0.206 CCCSCCNC(=O)COCC 11a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 15879 B12R0.206 CCCSCCNC(=O)COCC 240690a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 15880 B12R0.206 CCCSCCNC(=O)COCC 527a_100020603323_100000211967 [0,2,0,0,0,0|2,0,0]=4 15881 B12R0.206 CCCSCCNC(=O)CSCC 11a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 15882 B12R0.206 CCCSCCNC(=O)CSCC 240690a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 15883 B12R0.206 CCCSCCNC(=O)CSCC 527a_100020603323_100000230394 [0,2,0,0,0,0|2,0,0]=4 15884 B12R0.206 CCCSCCNC(=O)NCCF 2708a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 15885 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100000724931_100020603323 [0,2,0,0,0,0|2,0,0]=4 15886 B12R0.206 CCCSCCNC(=O)NCCF 273464a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 15887 B12R0.206 CCCSCCNC(=O)NCCF 512a_100020603323_100000724931 [0,2,0,0,0,0|2,0,0]=4 15888 B12R0.206 CCCSCCNC(=O)NCCO 2708a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 15889 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100000210304_100020603323 [0,2,0,0,0,0|2,0,0]=4 15890 B12R0.206 CCCSCCNC(=O)NCCO 273464a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 15891 B12R0.206 CCCSCCNC(=O)NCCO 512a_100020603323_100000210304 [0,2,0,0,0,0|2,0,0]=4 15892 B12R0.206 CCCSCCNC(=O)NNCC 273464a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 15893 B12R0.206 CCCSCCNC(=O)NNCC 512a_100000756455_100020603323 [0,2,0,0,0,0|2,0,0]=4 15894 B12R0.206 CCCSCCNC(=O)NNCC 512a_100020603323_100000756455 [0,2,0,0,0,0|2,0,0]=4 15895 B12R0.206 CCNNC(=O)CCCCCOC 22a_100000756455_100011935119 [0,2,0,0,0,0|2,0,0]=4 15896 B12R0.206 CCNNC(=O)CCOCCOC 22a_100000756455_100000745395 [0,2,0,0,0,0|2,0,0]=4 15897 B12R0.206 CCNNC(=O)NCCCCCO 273464a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 15898 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000756455_100000762737 [0,2,0,0,0,0|2,0,0]=4 15899 B12R0.206 CCNNC(=O)NCCCCCO 512a_100000762737_100000756455 [0,2,0,0,0,0|2,0,0]=4 15900 B12R0.206 CCNNC(=O)NCCCOCC 273464a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 15901 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000210961_100000756455 [0,2,0,0,0,0|2,0,0]=4 15902 B12R0.206 CCNNC(=O)NCCCOCC 512a_100000756455_100000210961 [0,2,0,0,0,0|2,0,0]=4 15903 B12R0.206 CCOCC(=O)CCCCCC#N 1458a_100000211967_100009813376 [0,2,0,0,0,0|2,0,0]=4 15904 B12R0.206 CCOCC(=O)CCCCCCF 1458a_100000211967_100015922095 [0,2,0,0,0,0|2,0,0]=4 15905 B12R0.206 CCOCC(=O)CCCCCCO 1458a_100000211967_100000766143 [0,2,0,0,0,0|2,0,0]=4 15906 B12R0.206 CCOCC(=O)CCOCCOC 1458a_100000211967_100000695917 [0,2,0,0,0,0|2,0,0]=4 15907 B12R0.206 CCOCC(=O)NCCCCCO 240690a_100000762737_100000211967 [0,2,0,0,0,0|2,0,0]=4 15908 B12R0.206 CCOCCCNC(=O)CCOC 11a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 15909 B12R0.206 CCOCCCNC(=O)CCOC 1626a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 15910 B12R0.206 CCOCCCNC(=O)CCOC 240690a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 15911 B12R0.206 CCOCCCNC(=O)CCOC 527a_100000210961_100000749529 [0,2,0,0,0,0|2,0,0]=4 15912 B12R0.206 CCOCCCNC(=O)CCSC 11a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 15913 B12R0.206 CCOCCCNC(=O)CCSC 1626a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 15914 B12R0.206 CCOCCCNC(=O)CCSC 240690a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 15915 B12R0.206 CCOCCCNC(=O)CCSC 527a_100000210961_100000174002 [0,2,0,0,0,0|2,0,0]=4 15916 B12R0.206 CCOCCCNC(=O)COCC 11a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 15917 B12R0.206 CCOCCCNC(=O)COCC 1626a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 15918 B12R0.206 CCOCCCNC(=O)COCC 240690a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 15919 B12R0.206 CCOCCCNC(=O)COCC 527a_100000210961_100000211967 [0,2,0,0,0,0|2,0,0]=4 15920 B12R0.206 CCOCCCNC(=O)CSCC 11a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 15921 B12R0.206 CCOCCCNC(=O)CSCC 1626a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 15922 B12R0.206 CCOCCCNC(=O)CSCC 240690a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 15923 B12R0.206 CCOCCCNC(=O)CSCC 527a_100000210961_100000230394 [0,2,0,0,0,0|2,0,0]=4 15924 B12R0.206 CCOCCCNC(=O)NCCF 2708a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 15925 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 15926 B12R0.206 CCOCCCNC(=O)NCCF 273464a_100000724931_100000210961 [0,2,0,0,0,0|2,0,0]=4 15927 B12R0.206 CCOCCCNC(=O)NCCF 512a_100000210961_100000724931 [0,2,0,0,0,0|2,0,0]=4 15928 B12R0.206 CCOCCCNC(=O)NCCO 2708a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 15929 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210304_100000210961 [0,2,0,0,0,0|2,0,0]=4 15930 B12R0.206 CCOCCCNC(=O)NCCO 273464a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 15931 B12R0.206 CCOCCCNC(=O)NCCO 512a_100000210961_100000210304 [0,2,0,0,0,0|2,0,0]=4 15932 B12R0.206 CCOCCNCC(=O)NCCF 2230a_100000725713_100011215890 [0,2,0,0,0,0|2,0,0]=4 15933 B12R0.206 CCSCC(=O)CCCCCC#N 1458a_100000230394_100009813376 [0,2,0,0,0,0|2,0,0]=4 15934 B12R0.206 CCSCC(=O)CCCCCCF 1458a_100000230394_100015922095 [0,2,0,0,0,0|2,0,0]=4 15935 B12R0.206 CCSCC(=O)CCCCCCO 1458a_100000230394_100000766143 [0,2,0,0,0,0|2,0,0]=4 15936 B12R0.206 CCSCC(=O)CCOCCOC 1458a_100000230394_100000695917 [0,2,0,0,0,0|2,0,0]=4 15937 B12R0.206 CCSCC(=O)NCCCCCO 240690a_100000762737_100000230394 [0,2,0,0,0,0|2,0,0]=4 15938 B12R0.206 CCSCCNCC(=O)NCCF 2230a_100000725713_100000757381 [0,2,0,0,0,0|2,0,0]=4 15939 B12R0.206 COCCC(=O)CCCCCC#N 1458a_100000749529_100009813376 [0,2,0,0,0,0|2,0,0]=4 15940 B12R0.206 COCCC(=O)CCCCCCF 1458a_100000749529_100015922095 [0,2,0,0,0,0|2,0,0]=4 15941 B12R0.206 COCCC(=O)CCCCCCO 1458a_100000749529_100000766143 [0,2,0,0,0,0|2,0,0]=4 15942 B12R0.206 COCCC(=O)CCCCCCO 1458a_100011996774_100000233755 [0,2,0,0,0,0|2,0,0]=4 15943 B12R0.206 COCCC(=O)NCCCCCO 240690a_100000762737_100000749529 [0,2,0,0,0,0|2,0,0]=4 15944 B12R0.206 COCCCCCC(=O)CCCF 1458a_100011935119_100011934791 [0,2,0,0,0,0|2,0,0]=4 15945 B12R0.206 COCCCCCC(=O)CCCO 1458a_100011935119_100011215043 [0,2,0,0,0,0|2,0,0]=4 15946 B12R0.206 COCCCCCC(=O)CCOC 1458a_100011935119_100000233755 [0,2,0,0,0,0|2,0,0]=4 15947 B12R0.206 COCCCCCC(=O)CCSC 1458a_100011935119_100000751147 [0,2,0,0,0,0|2,0,0]=4 15948 B12R0.206 COCCCCCC(=O)NCCF 11a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 15949 B12R0.206 COCCCCCC(=O)NCCF 1626a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 15950 B12R0.206 COCCCCCC(=O)NCCF 240690a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 15951 B12R0.206 COCCCCCC(=O)NCCF 527a_100000724931_100011935119 [0,2,0,0,0,0|2,0,0]=4 15952 B12R0.206 COCCCCCC(=O)NCCO 240690a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 15953 B12R0.206 COCCCCCC(=O)NCCO 527a_100000210304_100011935119 [0,2,0,0,0,0|2,0,0]=4 15954 B12R0.206 COCCCNCC(=O)NCCF 2230a_100000725713_100000740836 [0,2,0,0,0,0|2,0,0]=4 15955 B12R0.206 COCCOCCC(=O)CCCF 1458a_100000745395_100011934791 [0,2,0,0,0,0|2,0,0]=4 15956 B12R0.206 COCCOCCC(=O)CCCO 1458a_100000745395_100011215043 [0,2,0,0,0,0|2,0,0]=4 15957 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000745395_100000233755 [0,2,0,0,0,0|2,0,0]=4 15958 B12R0.206 COCCOCCC(=O)CCOC 1458a_100000749529_100000695917 [0,2,0,0,0,0|2,0,0]=4 15959 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000174002_100000695917 [0,2,0,0,0,0|2,0,0]=4 15960 B12R0.206 COCCOCCC(=O)CCSC 1458a_100000745395_100000751147 [0,2,0,0,0,0|2,0,0]=4 15961 B12R0.206 COCCOCCC(=O)NCCF 11a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 15962 B12R0.206 COCCOCCC(=O)NCCF 1626a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 15963 B12R0.206 COCCOCCC(=O)NCCF 240690a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 15964 B12R0.206 COCCOCCC(=O)NCCF 527a_100000724931_100000745395 [0,2,0,0,0,0|2,0,0]=4 15965 B12R0.206 COCCOCCC(=O)NCCO 240690a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 15966 B12R0.206 COCCOCCC(=O)NCCO 527a_100000210304_100000745395 [0,2,0,0,0,0|2,0,0]=4 15967 B12R0.206 CSCCC(=O)CCCCCC#N 1458a_100000174002_100009813376 [0,2,0,0,0,0|2,0,0]=4 15968 B12R0.206 CSCCC(=O)CCCCCCF 1458a_100000174002_100015922095 [0,2,0,0,0,0|2,0,0]=4 15969 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100000174002_100000766143 [0,2,0,0,0,0|2,0,0]=4 15970 B12R0.206 CSCCC(=O)CCCCCCO 1458a_100011996774_100000751147 [0,2,0,0,0,0|2,0,0]=4 15971 B12R0.206 CSCCC(=O)NCCCCCO 240690a_100000762737_100000174002 [0,2,0,0,0,0|2,0,0]=4 15972 B12R0.206 O=C(CCCCCCO)NCCF 240690a_100000724931_100011996774 [0,2,0,0,0,0|2,0,0]=4 15973 B12R0.206 O=C(CCCCCCO)NCCO 240690a_100000210304_100011996774 [0,2,0,0,0,0|2,0,0]=4 15974 B12R0.206 O=C(CCCF)CCCCCCO 1458a_100011996774_100011934791 [0,2,0,0,0,0|2,0,0]=4 15975 B12R0.206 O=C(CCCO)CCCCCCO 1458a_100011996774_100011215043 [0,2,0,0,0,0|2,0,0]=4 15976 B12R0.206 O=C(CNCCCCF)NCCF 2230a_100000725713_100000729493 [0,2,0,0,0,0|2,0,0]=4 15977 B12R0.206 O=C(CNCCCCO)NCCF 2230a_100000725713_100000210776 [0,2,0,0,0,0|2,0,0]=4 15978 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000724931_100000762737 [0,2,0,0,0,0|2,0,0]=4 15979 B12R0.206 O=C(NCCF)NCCCCCO 273464a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 15980 B12R0.206 O=C(NCCF)NCCCCCO 512a_100000762737_100000724931 [0,2,0,0,0,0|2,0,0]=4 15981 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000210304_100000762737 [0,2,0,0,0,0|2,0,0]=4 15982 B12R0.206 O=C(NCCO)NCCCCCO 273464a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 15983 B12R0.206 O=C(NCCO)NCCCCCO 512a_100000762737_100000210304 [0,2,0,0,0,0|2,0,0]=4 15984 B12R0.585 CCCCCCC(C)(C)OCCC 7a_200011995690_100000210303 [0,2,0,0,0,0|1,0,1]=4 15985 B12R0.585 CCCCCCS(=O)(=O)NCCC 270084a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 15986 B12R0.585 CCCCCCS(=O)(=O)NCCC 274078a_100020643023_100011361803 [0,2,0,0,0,0|2,0,0]=4 15987 B12R0.585 CCCCCNS(=O)(=O)CCCC 270084a_100000209983_100000212082 [0,2,0,0,0,0|2,0,0]=4 15988 B12R0.585 CCCCCNS(=O)(=O)CCCC 274078a_100000209983_100000212082 [0,2,0,0,0,0|2,0,0]=4 15989 B12R0.585 CCCCCNS(=O)(=O)CCCC 40a_100000209983_100000054263 [0,2,0,0,0,0|2,0,0]=4 15990 B12R0.585 CCCOC(C)(C)CCCCCBr 7a_100010402123_100000210303 [0,2,0,0,0,0|1,0,1]=4 15991 B12R0.117 C#CC(CCCCC)OCCCC 34a_100011216489_100000210210 [0,2,0,0,0,0|1,0,1]=4 15992 B12R0.117 C#CC(CCCCC)OCCCC 7a_100011216489_100000210211 [0,2,0,0,0,0|1,0,1]=4 15993 B12R0.117 C#CC(CCCCC)OCCCF 34a_100011216489_100011934791 [0,2,0,0,0,0|1,0,1]=4 15994 B12R0.117 C#CC(CCCCC)OCCCF 7a_100011216489_100011934791 [0,2,0,0,0,0|1,0,1]=4 15995 B12R0.117 C#CC(CCCCC)OCCCO 34a_100011216489_100000230001 [0,2,0,0,0,0|1,0,1]=4 15996 B12R0.117 C#CC(CCCCC)OCCCO 7a_100011216489_100011215043 [0,2,0,0,0,0|1,0,1]=4 15997 B12R0.117 C#CC(CCCCC)OCCOC 34a_100011216489_100011201679 [0,2,0,0,0,0|1,0,1]=4 15998 B12R0.117 C#CC(CCCCC)OCCOC 7a_100011216489_100000233755 [0,2,0,0,0,0|1,0,1]=4 15999 B12R0.117 C#CC(CCCCC)OCCSC 34a_100011216489_100000212216 [0,2,0,0,0,0|1,0,1]=4 16000 B12R0.117 C#CC(CCCCC)OCCSC 7a_100011216489_100000212216 [0,2,0,0,0,0|1,0,1]=4 16001 B12R0.117 C=CC(=NNCCC)CCCCC 4a_100000740057_100011217817 [0,2,0,0,0,0|2,0,0]=4 16002 B12R0.117 C=CC(CCCCC)OCCCC 34a_100011216863_100000210210 [0,2,0,0,0,0|1,0,1]=4 16003 B12R0.117 C=CC(CCCCC)OCCCC 7a_100011216863_100000210211 [0,2,0,0,0,0|1,0,1]=4 16004 B12R0.117 C=CC(CCCCC)OCCCF 34a_100011216863_100011934791 [0,2,0,0,0,0|1,0,1]=4 16005 B12R0.117 C=CC(CCCCC)OCCCF 7a_100011216863_100011934791 [0,2,0,0,0,0|1,0,1]=4 16006 B12R0.117 C=CC(CCCCC)OCCCO 34a_100011216863_100000230001 [0,2,0,0,0,0|1,0,1]=4 16007 B12R0.117 C=CC(CCCCC)OCCCO 7a_100011216863_100011215043 [0,2,0,0,0,0|1,0,1]=4 16008 B12R0.117 C=CC(CCCCC)OCCOC 34a_100011216863_100011201679 [0,2,0,0,0,0|1,0,1]=4 16009 B12R0.117 C=CC(CCCCC)OCCOC 7a_100011216863_100000233755 [0,2,0,0,0,0|1,0,1]=4 16010 B12R0.117 C=CC(CCCCC)OCCSC 34a_100011216863_100000212216 [0,2,0,0,0,0|1,0,1]=4 16011 B12R0.117 C=CC(CCCCC)OCCSC 7a_100011216863_100000212216 [0,2,0,0,0,0|1,0,1]=4 16012 B12R0.117 CCCCCC(=NNCCC)CC 4a_100000740057_100011215316 [0,2,0,0,0,0|2,0,0]=4 16013 B12R0.117 CCCCCC(CC)OCCCC 34a_100011215405_100000210210 [0,2,0,0,0,0|1,0,1]=4 16014 B12R0.117 CCCCCC(CC)OCCCC 7a_100011215405_100000210211 [0,2,0,0,0,0|1,0,1]=4 16015 B12R0.117 CCCCCC(CC)OCCCF 34a_100011215405_100011934791 [0,2,0,0,0,0|1,0,1]=4 16016 B12R0.117 CCCCCC(CC)OCCCF 7a_100011215405_100011934791 [0,2,0,0,0,0|1,0,1]=4 16017 B12R0.117 CCCCCC(CC)OCCCO 34a_100011215405_100000230001 [0,2,0,0,0,0|1,0,1]=4 16018 B12R0.117 CCCCCC(CC)OCCCO 7a_100011215405_100011215043 [0,2,0,0,0,0|1,0,1]=4 16019 B12R0.117 CCCCCC(CC)OCCOC 34a_100011215405_100011201679 [0,2,0,0,0,0|1,0,1]=4 16020 B12R0.117 CCCCCC(CC)OCCOC 7a_100011215405_100000233755 [0,2,0,0,0,0|1,0,1]=4 16021 B12R0.117 CCCCCC(CC)OCCSC 34a_100011215405_100000212216 [0,2,0,0,0,0|1,0,1]=4 16022 B12R0.117 CCCCCC(CC)OCCSC 7a_100011215405_100000212216 [0,2,0,0,0,0|1,0,1]=4 16023 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100000690238_100011214892 [0,2,0,0,0,0|1,0,1]=4 16024 B12R0.233 C#CCCCC(=O)CCCC(C)C 1458a_100011216857_100000731252 [0,2,0,0,0,0|1,0,1]=4 16025 B12R0.233 C#CCCCC(=O)CCCC(C)O 1458a_100000690238_200000718107 [0,2,0,0,0,0|1,0,1]=4 16026 B12R0.233 C#CCCCC(=O)COCC(C)C 1458a_100011223364_100000731252 [0,2,0,0,0,0|0,0,2]=4 16027 B12R0.233 C#CCCNC(=O)CCCC(C)C 11a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 16028 B12R0.233 C#CCCNC(=O)CCCC(C)C 1626a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 16029 B12R0.233 C#CCCNC(=O)CCCC(C)C 240690a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 16030 B12R0.233 C#CCCNC(=O)CCCC(C)C 527a_100000755551_100011216857 [0,2,0,0,0,0|1,0,1]=4 16031 B12R0.233 C#CCCNC(=O)CCCC(C)O 1626a_100000755551_100000761597 [0,2,0,0,0,0|1,0,1]=4 16032 B12R0.233 C#CCCNC(=O)CCCC(C)O 527a_100000755551_100000761597 [0,2,0,0,0,0|1,0,1]=4 16033 B12R0.233 C#CCOCC(=O)CCCC(C)C 1458a_100011251226_100011214892 [0,2,0,0,0,0|0,0,2]=4 16034 B12R0.233 C#CCOCC(=O)CCCC(C)O 1458a_100011251226_200000718107 [0,2,0,0,0,0|0,0,2]=4 16035 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100000764851_200011218191 [0,2,0,0,0,0|1,0,1]=4 16036 B12R0.233 C=C(C)CCOC(C)CCCCC 34a_100011215632_100000730704 [0,2,0,0,0,0|1,0,1]=4 16037 B12R0.233 C=C(C)CCOC(C)CCCCC 7a_100011215632_100000730704 [0,2,0,0,0,0|1,0,1]=4 16038 B12R0.233 C=C(C)CNNC(=O)CCCCC 22a_100000729518_100000212188 [0,2,0,0,0,0|1,0,1]=4 16039 B12R0.233 C=C(C)COCC(=O)CCCCC 34a_100000210245_200012276598 [0,2,0,0,0,0|0,0,1]=3 16040 B12R0.233 C=C(C)COCC(=O)NCCCC 34a_100000210245_100000182744 [0,2,0,0,0,0|1,0,1]=4 16041 B12R0.233 C=C(C)COCC(=O)OCCCC 34a_100000210245_100000211628 [0,2,0,0,0,0|1,0,1]=4 16042 B12R0.233 C=C(C)COCC(=O)OCCOC 34a_100000210245_200000040189 [0,2,0,0,0,0|1,0,1]=4 16043 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_100000748629_200012276598 [0,2,0,0,0,0|0,1,1]=4 16044 B12R0.233 C=C(C)CSCC(=O)CCCCC 62a_200012276598_100000211660 [0,2,0,0,0,0|0,1,1]=4 16045 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000211628_100000211660 [0,2,0,0,0,0|1,0,1]=4 16046 B12R0.233 C=C(C)CSCC(=O)OCCCC 62a_100000748629_100000211628 [0,2,0,0,0,0|1,0,1]=4 16047 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_100000748629_200000040189 [0,2,0,0,0,0|1,0,1]=4 16048 B12R0.233 C=C(C)CSCC(=O)OCCOC 62a_200000040189_100000211660 [0,2,0,0,0,0|1,0,1]=4 16049 B12R0.233 C=C(F)COCC(=O)CCCCC 34a_200010262243_200012276598 [0,2,0,0,0,0|0,0,2]=4 16050 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100000766728_100011214892 [0,2,0,0,0,0|1,0,1]=4 16051 B12R0.233 C=CCCCC(=O)CCCC(C)C 1458a_100011216857_100000757094 [0,2,0,0,0,0|1,0,1]=4 16052 B12R0.233 C=CCCCC(=O)CCCC(C)O 1458a_100000766728_200000718107 [0,2,0,0,0,0|1,0,1]=4 16053 B12R0.233 C=CCCCC(=O)COCC(C)C 1458a_100011223364_100000757094 [0,2,0,0,0,0|0,0,2]=4 16054 B12R0.233 C=CCCNC(=O)CCCC(C)C 11a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 16055 B12R0.233 C=CCCNC(=O)CCCC(C)C 1626a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 16056 B12R0.233 C=CCCNC(=O)CCCC(C)C 240690a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 16057 B12R0.233 C=CCCNC(=O)CCCC(C)C 527a_100015191253_100011216857 [0,2,0,0,0,0|1,0,1]=4 16058 B12R0.233 C=CCCNC(=O)CCCC(C)O 1626a_100015191253_100000761597 [0,2,0,0,0,0|1,0,1]=4 16059 B12R0.233 C=CCCNC(=O)CCCC(C)O 527a_100015191253_100000761597 [0,2,0,0,0,0|1,0,1]=4 16060 B12R0.233 CC#CCNC(=O)CCCC(C)C 11a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 16061 B12R0.233 CC#CCNC(=O)CCCC(C)C 1626a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 16062 B12R0.233 CC#CCNC(=O)CCCC(C)C 527a_100000685387_100011216857 [0,2,0,0,0,0|1,0,1]=4 16063 B12R0.233 CC#CCNC(=O)CCCC(C)O 1626a_100000685387_100000761597 [0,2,0,0,0,0|1,0,1]=4 16064 B12R0.233 CC#CCNC(=O)CCCC(C)O 527a_100000685387_100000761597 [0,2,0,0,0,0|1,0,1]=4 16065 B12R0.233 CC(=O)CCCC(=O)CCCCO 1458a_100000695505_100011215641 [0,2,0,0,0,0|1,0,1]=4 16066 B12R0.233 CC(=O)CCCC(=O)COCCO 1458a_100000708028_100011215641 [0,2,0,0,0,0|1,0,1]=4 16067 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100000075515_100011214892 [0,2,0,0,0,0|1,0,1]=4 16068 B12R0.233 CC(C)CCCC(=O)CCCC#N 1458a_100011216857_100000211468 [0,2,0,0,0,0|1,0,1]=4 16069 B12R0.233 CC(C)CCCC(=O)CCCCF 1458a_100011216857_100000729493 [0,2,0,0,0,0|1,0,0]=3 16070 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100000695505_100011214892 [0,2,0,0,0,0|1,0,0]=3 16071 B12R0.233 CC(C)CCCC(=O)CCCCO 1458a_100011216857_100000210776 [0,2,0,0,0,0|1,0,0]=3 16072 B12R0.233 CC(C)CCCC(=O)COCCO 1458a_100000708028_100011214892 [0,2,0,0,0,0|1,0,0]=3 16073 B12R0.233 CC(C)CCCC(=O)NCCC#N 11a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 16074 B12R0.233 CC(C)CCCC(=O)NCCC#N 1626a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 16075 B12R0.233 CC(C)CCCC(=O)NCCC#N 240690a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 16076 B12R0.233 CC(C)CCCC(=O)NCCC#N 527a_100000720768_100011216857 [0,2,0,0,0,0|1,0,1]=4 16077 B12R0.233 CC(C)CCCC(=O)NCCCF 11a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 16078 B12R0.233 CC(C)CCCC(=O)NCCCF 1626a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 16079 B12R0.233 CC(C)CCCC(=O)NCCCF 240690a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 16080 B12R0.233 CC(C)CCCC(=O)NCCCF 527a_100015189416_100011216857 [0,2,0,0,0,0|1,0,0]=3 16081 B12R0.233 CC(C)CCCC(=O)NCCCO 240690a_100000182051_100011216857 [0,2,0,0,0,0|1,0,0]=3 16082 B12R0.233 CC(C)CCCC(=O)NCCCO 527a_100000182051_100011216857 [0,2,0,0,0,0|1,0,0]=3 16083 B12R0.233 CC(C)CCCC(=O)NNCCO 22a_100000210001_100011216857 [0,2,0,0,0,0|2,0,0]=4 16084 B12R0.233 CC(C)CCCC(C)OCCCF 34a_200011218570_100011934791 [0,2,0,0,0,0|1,0,1]=4 16085 B12R0.233 CC(C)CCCC(C)OCCCF 7a_200011218570_100011934791 [0,2,0,0,0,0|1,0,1]=4 16086 B12R0.233 CC(C)CCCC(C)OCCCO 34a_200011218570_100000230001 [0,2,0,0,0,0|1,0,1]=4 16087 B12R0.233 CC(C)CCCC(C)OCCCO 7a_200011218570_100011215043 [0,2,0,0,0,0|1,0,1]=4 16088 B12R0.233 CC(C)CCNC(=O)CCCCO 1626a_100000210545_100000695505 [0,2,0,0,0,0|2,0,0]=4 16089 B12R0.233 CC(C)CCNC(=O)COCCO 1626a_100000210545_100000708028 [0,2,0,0,0,0|2,0,0]=4 16090 B12R0.233 CC(C)CCNC(=O)COCCO 240690a_100000210545_100000708028 [0,2,0,0,0,0|2,0,0]=4 16091 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100000210545_100015189416 [0,2,0,0,0,0|2,0,0]=4 16092 B12R0.233 CC(C)CCNC(=O)NCCCF 2708a_100015189416_100000210545 [0,2,0,0,0,0|2,0,0]=4 16093 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100000210545_100015189416 [0,2,0,0,0,0|2,0,0]=4 16094 B12R0.233 CC(C)CCNC(=O)NCCCF 273464a_100015189416_100000210545 [0,2,0,0,0,0|2,0,0]=4 16095 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100000210545_100015189416 [0,2,0,0,0,0|2,0,0]=4 16096 B12R0.233 CC(C)CCNC(=O)NCCCF 512a_100015189416_100000210545 [0,2,0,0,0,0|2,0,0]=4 16097 B12R0.233 CC(C)CCNC(=O)NCCCO 2708a_100000210545_100000182051 [0,2,0,0,0,0|2,0,0]=4 16098 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000182051_100000210545 [0,2,0,0,0,0|2,0,0]=4 16099 B12R0.233 CC(C)CCNC(=O)NCCCO 273464a_100000210545_100000182051 [0,2,0,0,0,0|2,0,0]=4 16100 B12R0.233 CC(C)CCNC(=O)NCCCO 512a_100000210545_100000182051 [0,2,0,0,0,0|2,0,0]=4 16101 B12R0.233 CC(C)COCC(=O)CCCC#N 1458a_100011223364_100000211468 [0,2,0,0,0,0|1,0,1]=4 16102 B12R0.233 CC(C)COCC(=O)CCCCF 1458a_100011223364_100000729493 [0,2,0,0,0,0|1,0,0]=3 16103 B12R0.233 CC(C)COCC(=O)CCCCO 1458a_100011223364_100000210776 [0,2,0,0,0,0|1,0,0]=3 16104 B12R0.233 CC(C)COCC(=O)NCCCF 11a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 16105 B12R0.233 CC(C)COCC(=O)NCCCF 1626a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 16106 B12R0.233 CC(C)COCC(=O)NCCCF 240690a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 16107 B12R0.233 CC(C)COCC(=O)NCCCF 527a_100015189416_100011223364 [0,2,0,0,0,0|2,0,0]=4 16108 B12R0.233 CC(C)COCC(=O)NCCCO 240690a_100000182051_100011223364 [0,2,0,0,0,0|2,0,0]=4 16109 B12R0.233 CC(C)COCC(=O)NCCCO 527a_100000182051_100011223364 [0,2,0,0,0,0|2,0,0]=4 16110 B12R0.233 CC(C)OCCC(=O)CCCCO 1458a_100000695505_100000211751 [0,2,0,0,0,0|2,0,0]=4 16111 B12R0.233 CC(C)OCCC(=O)COCCO 1458a_100000708028_100000211751 [0,2,0,0,0,0|2,0,0]=4 16112 B12R0.233 CC(C)SCCC(=O)CCCCO 1458a_100000695505_100000730970 [0,2,0,0,0,0|2,0,0]=4 16113 B12R0.233 CC(C)SCCC(=O)COCCO 1458a_100000708028_100000730970 [0,2,0,0,0,0|2,0,0]=4 16114 B12R0.233 CC(O)CCCC(=O)CCCC#N 1458a_100000075515_200000718107 [0,2,0,0,0,0|1,0,1]=4 16115 B12R0.233 CC(O)CCCC(=O)CCCCO 1458a_100000695505_200000718107 [0,2,0,0,0,0|1,0,0]=3 16116 B12R0.233 CC(O)CCCC(=O)COCCO 1458a_100000708028_200000718107 [0,2,0,0,0,0|1,0,0]=3 16117 B12R0.233 CC(O)CCCC(=O)NCCC#N 1626a_100000720768_100000761597 [0,2,0,0,0,0|1,0,1]=4 16118 B12R0.233 CC(O)CCCC(=O)NCCC#N 527a_100000720768_100000761597 [0,2,0,0,0,0|1,0,1]=4 16119 B12R0.233 CC(O)CCCC(=O)NCCCF 1626a_100015189416_100000761597 [0,2,0,0,0,0|1,0,0]=3 16120 B12R0.233 CC(O)CCCC(=O)NCCCF 527a_100015189416_100000761597 [0,2,0,0,0,0|1,0,0]=3 16121 B12R0.233 CC(O)CCCC(=O)NCCCO 527a_100000182051_100000761597 [0,2,0,0,0,0|1,0,0]=3 16122 B12R0.233 CC(O)CCCC(=O)NNCCO 22a_100000210001_100000761597 [0,2,0,0,0,0|2,0,0]=4 16123 B12R0.233 CC(O)CCNC(=O)COCCO 240690a_200000755665_100000708028 [0,2,0,0,0,0|2,0,0]=4 16124 B12R0.233 CC(O)CCNC(=O)NCCCF 2708a_100015189416_200000755665 [0,2,0,0,0,0|2,0,0]=4 16125 B12R0.233 CC(O)CCNC(=O)NCCCF 273464a_200000755665_100015189416 [0,2,0,0,0,0|2,0,0]=4 16126 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_100015189416_200000755665 [0,2,0,0,0,0|2,0,0]=4 16127 B12R0.233 CC(O)CCNC(=O)NCCCF 512a_200000755665_100015189416 [0,2,0,0,0,0|2,0,0]=4 16128 B12R0.233 CC(O)CCNC(=O)NCCCO 273464a_200000755665_100000182051 [0,2,0,0,0,0|2,0,0]=4 16129 B12R0.233 CC(O)CCNC(=O)NCCCO 512a_200000755665_100000182051 [0,2,0,0,0,0|2,0,0]=4 16130 B12R0.233 CC/C=C/CC(=O)CCCC(C)C 1458a_100016274230_100011214892 [0,2,0,0,0,0|1,0,1]=4 16131 B12R0.233 CC/C=C/CC(=O)CCCC(C)O 1458a_100016274230_200000718107 [0,2,0,0,0,0|1,0,1]=4 16132 B12R0.233 CC/C=C\CC(=O)CCCC(C)C 1458a_100011216857_100103147603 [0,2,0,0,0,0|1,0,1]=4 16133 B12R0.233 CC/C=C\CC(=O)COCC(C)C 1458a_100011223364_100103147603 [0,2,0,0,0,0|0,0,2]=4 16134 B12R0.233 CCC#CCC(=O)CCCC(C)C 1458a_100011216857_100009813939 [0,2,0,0,0,0|1,0,1]=4 16135 B12R0.233 CCC#CCC(=O)COCC(C)C 1458a_100011223364_100009813939 [0,2,0,0,0,0|0,0,2]=4 16136 B12R0.233 CCCC#CC(=O)CCCC(=O)C 1458a_200011218047_100011215641 [0,2,0,0,0,0|1,0,1]=4 16137 B12R0.233 CCCC#CC(=O)CCCC(C)C 1458a_200011218047_100011214892 [0,2,0,0,0,0|1,0,0]=3 16138 B12R0.233 CCCC#CC(=O)CCCC(C)O 1458a_200011218047_200000718107 [0,2,0,0,0,0|1,0,0]=3 16139 B12R0.233 CCCC#CC(=O)CCCN(C)C 1458a_200011218047_100000695564 [0,2,0,0,0,0|2,0,0]=4 16140 B12R0.233 CCCC#CC(=O)CCOC(C)C 1458a_200011218047_100000211751 [0,2,0,0,0,0|2,0,0]=4 16141 B12R0.233 CCCC#CC(=O)CCSC(C)C 1458a_200011218047_100000730970 [0,2,0,0,0,0|2,0,0]=4 16142 B12R0.233 CCCC#CC(=O)NCCC(C)C 240690a_100000210545_200011218047 [0,2,0,0,0,0|2,0,0]=4 16143 B12R0.233 CCCC#CC(=O)NCCC(C)O 240690a_200000755665_200011218047 [0,2,0,0,0,0|2,0,0]=4 16144 B12R0.233 CCCC=CC(=O)CCCC(=O)C 1458a_100000212230_100011215641 [0,2,0,0,0,0|1,0,1]=4 16145 B12R0.233 CCCC=CC(=O)CCCC(C)C 1458a_100000212230_100011214892 [0,2,0,0,0,0|1,0,0]=3 16146 B12R0.233 CCCC=CC(=O)CCCC(C)O 1458a_100000212230_200000718107 [0,2,0,0,0,0|1,0,0]=3 16147 B12R0.233 CCCC=CC(=O)CCCN(C)C 1458a_100000212230_100000695564 [0,2,0,0,0,0|2,0,0]=4 16148 B12R0.233 CCCC=CC(=O)CCOC(C)C 1458a_100000212230_100000211751 [0,2,0,0,0,0|2,0,0]=4 16149 B12R0.233 CCCC=CC(=O)CCSC(C)C 1458a_100000212230_100000730970 [0,2,0,0,0,0|2,0,0]=4 16150 B12R0.233 CCCC=CC(=O)NCCC(C)C 11a_100000210545_100000212230 [0,2,0,0,0,0|2,0,0]=4 16151 B12R0.233 CCCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212230 [0,2,0,0,0,0|2,0,0]=4 16152 B12R0.233 CCCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212230 [0,2,0,0,0,0|2,0,0]=4 16153 B12R0.233 CCCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212230 [0,2,0,0,0,0|2,0,0]=4 16154 B12R0.233 CCCCCC(=NNCC(C)O)C 4a_200000730056_100000211708 [0,2,0,0,0,0|2,0,0]=4 16155 B12R0.233 CCCCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210326 [0,2,0,0,0,0|1,0,1]=4 16156 B12R0.233 CCCCCC(=O)C=CCN(C)C 1458a_100000754359_100000210326 [0,2,0,0,0,0|1,0,1]=4 16157 B12R0.233 CCCCCC(=O)CCC=C(C)C 1458a_100000212188_100011217483 [0,2,0,0,0,0|1,0,1]=4 16158 B12R0.233 CCCCCC(=O)CCCC(=O)C 1458a_100000212188_100011215641 [0,2,0,0,0,0|1,0,0]=3 16159 B12R0.233 CCCCCC(=O)CCCC(=O)N 1458a_100000212188_100102525003 [0,2,0,0,0,0|1,0,1]=4 16160 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100000212188_100011214892 [0,2,0,0,0,0|1,0,0]=3 16161 B12R0.233 CCCCCC(=O)CCCC(C)C 1458a_100011216857_100000210326 [0,2,0,0,0,0|1,0,0]=3 16162 B12R0.233 CCCCCC(=O)CCCC(C)O 1458a_100000212188_200000718107 [0,2,0,0,0,0|1,0,0]=3 16163 B12R0.233 CCCCCC(=O)CCCN(C)C 1458a_100000212188_100000695564 [0,2,0,0,0,0|1,0,0]=3 16164 B12R0.233 CCCCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210326 [0,2,0,0,0,0|2,0,0]=4 16165 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000183196_100000210326 [0,2,0,0,0,0|1,0,1]=4 16166 B12R0.233 CCCCCC(=O)CCNC(=O)C 1458a_100000212188_100000189650 [0,2,0,0,0,0|1,0,1]=4 16167 B12R0.233 CCCCCC(=O)CCOC(=O)C 1458a_100000212188_100009814007 [0,2,0,0,0,0|1,0,1]=4 16168 B12R0.233 CCCCCC(=O)CCOC(C)C 1458a_100000212188_100000211751 [0,2,0,0,0,0|1,0,0]=3 16169 B12R0.233 CCCCCC(=O)CCSC(=O)C 1458a_100000048949_100000210326 [0,2,0,0,0,0|1,0,1]=4 16170 B12R0.233 CCCCCC(=O)CCSC(C)C 1458a_100000212188_100000730970 [0,2,0,0,0,0|1,0,0]=3 16171 B12R0.233 CCCCCC(=O)CNCC(C)C 2230a_100000210953_200012276598 [0,2,0,0,0,0|1,0,0]=3 16172 B12R0.233 CCCCCC(=O)CNCC(C)C 34a_100000210953_200012276598 [0,2,0,0,0,0|1,0,0]=3 16173 B12R0.233 CCCCCC(=O)CNCC(C)O 2230a_100000210904_200012276598 [0,2,0,0,0,0|1,0,0]=3 16174 B12R0.233 CCCCCC(=O)CNCC(C)O 34a_100000210904_200012276598 [0,2,0,0,0,0|1,0,0]=3 16175 B12R0.233 CCCCCC(=O)CNCC(F)F 34a_100000765723_200012276598 [0,2,0,0,0,0|2,0,0]=4 16176 B12R0.233 CCCCCC(=O)COCC(=O)C 34a_100000211253_200012276598 [0,2,0,0,0,0|0,0,1]=3 16177 B12R0.233 CCCCCC(=O)COCC(=O)N 1458a_100011219004_100000210326 [0,2,0,0,0,0|1,0,1]=4 16178 B12R0.233 CCCCCC(=O)COCC(C)Br 34a_100012180447_200012276598 [0,2,0,0,0,0|0,0,0]=2 16179 B12R0.233 CCCCCC(=O)COCC(C)C 1458a_100011223364_100000210326 [0,2,0,0,0,0|0,0,0]=2 16180 B12R0.233 CCCCCC(=O)COCC(C)C 34a_100000210257_200012276598 [0,2,0,0,0,0|0,0,0]=2 16181 B12R0.233 CCCCCC(=O)COCC(C)F 34a_100015925927_200012276598 [0,2,0,0,0,0|0,0,0]=2 16182 B12R0.233 CCCCCC(=O)COCC(F)F 34a_100000743014_200012276598 [0,2,0,0,0,0|1,0,0]=3 16183 B12R0.233 CCCCCC(=O)COC[C@@H](C)Cl 34a_100016084084_200012276598 [0,2,0,0,0,0|0,0,0]=2 16184 B12R0.233 CCCCCC(=O)COC[C@@H](C)N 34a_100000737577_200012276598 [0,2,0,0,0,0|0,0,0]=2 16185 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_100000210624_200012276598 [0,2,0,0,0,0|0,1,0]=3 16186 B12R0.233 CCCCCC(=O)CSCC(C)C 62a_200012276598_100000210760 [0,2,0,0,0,0|0,1,0]=3 16187 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_100011218427_200012276598 [0,2,0,0,0,0|0,1,0]=3 16188 B12R0.233 CCCCCC(=O)CSCC(C)O 62a_200012276598_100011218427 [0,2,0,0,0,0|0,1,0]=3 16189 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_100011934356_200012276598 [0,2,0,0,0,0|1,1,0]=4 16190 B12R0.233 CCCCCC(=O)CSCC(F)F 62a_200012276598_100011934356 [0,2,0,0,0,0|1,1,0]=4 16191 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_100009817552_200012276598 [0,2,0,0,0,0|0,1,0]=3 16192 B12R0.233 CCCCCC(=O)CSC[C@@H](C)O 62a_200012276598_100009817552 [0,2,0,0,0,0|0,1,0]=3 16193 B12R0.233 CCCCCC(=O)NCC=C(C)C 11a_100000718196_100000212188 [0,2,0,0,0,0|1,0,1]=4 16194 B12R0.233 CCCCCC(=O)NCC=C(C)C 1626a_100000718196_100000212188 [0,2,0,0,0,0|1,0,1]=4 16195 B12R0.233 CCCCCC(=O)NCC=C(C)C 527a_100000718196_100000212188 [0,2,0,0,0,0|1,0,1]=4 16196 B12R0.233 CCCCCC(=O)NCCC(=O)N 11a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 16197 B12R0.233 CCCCCC(=O)NCCC(=O)N 240690a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 16198 B12R0.233 CCCCCC(=O)NCCC(=O)N 527a_100000740010_100000212188 [0,2,0,0,0,0|1,0,1]=4 16199 B12R0.233 CCCCCC(=O)NCCC(C)C 11a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 16200 B12R0.233 CCCCCC(=O)NCCC(C)C 1626a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 16201 B12R0.233 CCCCCC(=O)NCCC(C)C 240690a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 16202 B12R0.233 CCCCCC(=O)NCCC(C)C 527a_100000210545_100000212188 [0,2,0,0,0,0|1,0,0]=3 16203 B12R0.233 CCCCCC(=O)NCCC(C)O 240690a_200000755665_100000212188 [0,2,0,0,0,0|1,0,0]=3 16204 B12R0.233 CCCCCC(=O)NCCC(C)O 527a_200000755665_100000212188 [0,2,0,0,0,0|1,0,0]=3 16205 B12R0.233 CCCCCC(=O)NCCN(C)C 240690a_100000210585_100000212188 [0,2,0,0,0,0|1,0,0]=3 16206 B12R0.233 CCCCCC(=O)NCCN(C)C 527a_100000210585_100000212188 [0,2,0,0,0,0|1,0,0]=3 16207 B12R0.233 CCCCCC(=O)NN=CC(C)C 4a_100000189784_100000210432 [0,2,0,0,0,0|1,0,1]=4 16208 B12R0.233 CCCCCC(=O)NNCC(C)C 22a_100000696102_100000212188 [0,2,0,0,0,0|1,0,0]=3 16209 B12R0.233 CCCCCC(=O)NNCC(C)O 22a_200000730056_100000212188 [0,2,0,0,0,0|1,0,0]=3 16210 B12R0.233 CCCCCC(C)OCCC(=O)C 34a_100000759926_200011218191 [0,2,0,0,0,0|1,0,1]=4 16211 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100000759926_200011218191 [0,2,0,0,0,0|1,0,1]=4 16212 B12R0.233 CCCCCC(C)OCCC(=O)C 7a_100011215632_100000053229 [0,2,0,0,0,0|1,0,1]=4 16213 B12R0.233 CCCCCC(C)OCCC(C)Br 34a_100009893172_200011218191 [0,2,0,0,0,0|1,0,1]=4 16214 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100000210254_200011218191 [0,2,0,0,0,0|1,0,1]=4 16215 B12R0.233 CCCCCC(C)OCCC(C)C 34a_100011215632_100000210312 [0,2,0,0,0,0|1,0,1]=4 16216 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100000210254_200011218191 [0,2,0,0,0,0|1,0,1]=4 16217 B12R0.233 CCCCCC(C)OCCC(C)C 7a_100011215632_100000210626 [0,2,0,0,0,0|1,0,1]=4 16218 B12R0.233 CCCCCC(C)OCCC(C)O 34a_100011215632_100012276601 [0,2,0,0,0,0|1,0,1]=4 16219 B12R0.233 CCCCCC(C)OCCC(C)O 7a_100011215632_100012276601 [0,2,0,0,0,0|1,0,1]=4 16220 B12R0.233 CCCCCC(C)OCCC(F)F 34a_100103093639_200011218191 [0,2,0,0,0,0|1,0,1]=4 16221 B12R0.233 CCCCCC(C)OCCN(C)C 7a_100011215632_100000755713 [0,2,0,0,0,0|1,0,1]=4 16222 B12R0.233 CCCCCC(C)OCC[C@@H](C)N 34a_100000706166_200011218191 [0,2,0,0,0,0|1,0,1]=4 16223 B12R0.233 CCCCCC(C)OCOC(C)C 34a_100011215632_100000709892 [0,2,0,0,0,0|1,0,1]=4 16224 B12R0.233 CCCCNC(=O)CCCC(C)C 11a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 16225 B12R0.233 CCCCNC(=O)CCCC(C)C 1626a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 16226 B12R0.233 CCCCNC(=O)CCCC(C)C 240690a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 16227 B12R0.233 CCCCNC(=O)CCCC(C)C 527a_100000102301_100011216857 [0,2,0,0,0,0|1,0,0]=3 16228 B12R0.233 CCCCNC(=O)CCCC(C)O 1626a_100000102301_100000761597 [0,2,0,0,0,0|1,0,0]=3 16229 B12R0.233 CCCCNC(=O)CCCC(C)O 527a_100000102301_100000761597 [0,2,0,0,0,0|1,0,0]=3 16230 B12R0.233 CCCCNC(=O)CCCN(C)C 11a_100000102301_100000740757 [0,2,0,0,0,0|2,0,0]=4 16231 B12R0.233 CCCCNC(=O)CCCN(C)C 240690a_100000102301_100000740757 [0,2,0,0,0,0|2,0,0]=4 16232 B12R0.233 CCCCNC(=O)CNCC(C)C 2230a_100000210953_100000182744 [0,2,0,0,0,0|2,0,0]=4 16233 B12R0.233 CCCCNC(=O)CNCC(C)C 34a_100000210953_100000182744 [0,2,0,0,0,0|2,0,0]=4 16234 B12R0.233 CCCCNC(=O)CNCC(C)O 2230a_100000210904_100000182744 [0,2,0,0,0,0|2,0,0]=4 16235 B12R0.233 CCCCNC(=O)CNCC(C)O 34a_100000210904_100000182744 [0,2,0,0,0,0|2,0,0]=4 16236 B12R0.233 CCCCNC(=O)COCC(=O)C 34a_100000211253_100000182744 [0,2,0,0,0,0|1,0,1]=4 16237 B12R0.233 CCCCNC(=O)COCC(C)Br 34a_100012180447_100000182744 [0,2,0,0,0,0|1,0,0]=3 16238 B12R0.233 CCCCNC(=O)COCC(C)C 11a_100000102301_100011223364 [0,2,0,0,0,0|1,0,0]=3 16239 B12R0.233 CCCCNC(=O)COCC(C)C 1626a_100000102301_100011223364 [0,2,0,0,0,0|1,0,0]=3 16240 B12R0.233 CCCCNC(=O)COCC(C)C 240690a_100000102301_100011223364 [0,2,0,0,0,0|1,0,0]=3 16241 B12R0.233 CCCCNC(=O)COCC(C)C 34a_100000210257_100000182744 [0,2,0,0,0,0|1,0,0]=3 16242 B12R0.233 CCCCNC(=O)COCC(C)C 527a_100000102301_100011223364 [0,2,0,0,0,0|1,0,0]=3 16243 B12R0.233 CCCCNC(=O)COCC(C)F 34a_100015925927_100000182744 [0,2,0,0,0,0|1,0,0]=3 16244 B12R0.233 CCCCNC(=O)COCC(F)F 34a_100000743014_100000182744 [0,2,0,0,0,0|2,0,0]=4 16245 B12R0.233 CCCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182744 [0,2,0,0,0,0|1,0,0]=3 16246 B12R0.233 CCCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000182744 [0,2,0,0,0,0|1,0,0]=3 16247 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000182744_100000210760 [0,2,0,0,0,0|1,1,0]=4 16248 B12R0.233 CCCCNC(=O)CSCC(C)C 62a_100000210624_100000182744 [0,2,0,0,0,0|1,1,0]=4 16249 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100000182744_100011218427 [0,2,0,0,0,0|1,1,0]=4 16250 B12R0.233 CCCCNC(=O)CSCC(C)O 62a_100011218427_100000182744 [0,2,0,0,0,0|1,1,0]=4 16251 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100000182744_100009817552 [0,2,0,0,0,0|1,1,0]=4 16252 B12R0.233 CCCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000182744 [0,2,0,0,0,0|1,1,0]=4 16253 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000102301_100000210545 [0,2,0,0,0,0|2,0,0]=4 16254 B12R0.233 CCCCNC(=O)NCCC(C)C 2708a_100000210545_100000102301 [0,2,0,0,0,0|2,0,0]=4 16255 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000102301_100000210545 [0,2,0,0,0,0|2,0,0]=4 16256 B12R0.233 CCCCNC(=O)NCCC(C)C 273464a_100000210545_100000102301 [0,2,0,0,0,0|2,0,0]=4 16257 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000102301_100000210545 [0,2,0,0,0,0|2,0,0]=4 16258 B12R0.233 CCCCNC(=O)NCCC(C)C 512a_100000210545_100000102301 [0,2,0,0,0,0|2,0,0]=4 16259 B12R0.233 CCCCNC(=O)NCCC(C)O 2708a_100000102301_200000755665 [0,2,0,0,0,0|2,0,0]=4 16260 B12R0.233 CCCCNC(=O)NCCC(C)O 273464a_200000755665_100000102301 [0,2,0,0,0,0|2,0,0]=4 16261 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_100000102301_200000755665 [0,2,0,0,0,0|2,0,0]=4 16262 B12R0.233 CCCCNC(=O)NCCC(C)O 512a_200000755665_100000102301 [0,2,0,0,0,0|2,0,0]=4 16263 B12R0.233 CCCCNC(=O)NCCN(C)C 2708a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 16264 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 16265 B12R0.233 CCCCNC(=O)NCCN(C)C 273464a_100000210585_100000102301 [0,2,0,0,0,0|2,0,0]=4 16266 B12R0.233 CCCCNC(=O)NCCN(C)C 512a_100000102301_100000210585 [0,2,0,0,0,0|2,0,0]=4 16267 B12R0.233 CCCCNC(=O)NNCC(C)C 273464a_100000102301_100000696102 [0,2,0,0,0,0|2,0,0]=4 16268 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000102301_100000696102 [0,2,0,0,0,0|2,0,0]=4 16269 B12R0.233 CCCCNC(=O)NNCC(C)C 512a_100000696102_100000102301 [0,2,0,0,0,0|2,0,0]=4 16270 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_100000102301_200000730056 [0,2,0,0,0,0|2,0,0]=4 16271 B12R0.233 CCCCNC(=O)NNCC(C)O 512a_200000730056_100000102301 [0,2,0,0,0,0|2,0,0]=4 16272 B12R0.233 CCCCOC(=O)CNCC(C)C 2230a_100000210953_100000211628 [0,2,0,0,0,0|1,0,0]=3 16273 B12R0.233 CCCCOC(=O)CNCC(C)C 34a_100000210953_100000211628 [0,2,0,0,0,0|1,0,0]=3 16274 B12R0.233 CCCCOC(=O)CNCC(C)O 2230a_100000210904_100000211628 [0,2,0,0,0,0|1,0,0]=3 16275 B12R0.233 CCCCOC(=O)CNCC(C)O 34a_100000210904_100000211628 [0,2,0,0,0,0|1,0,0]=3 16276 B12R0.233 CCCCOC(=O)CNCC(F)F 34a_100000765723_100000211628 [0,2,0,0,0,0|2,0,0]=4 16277 B12R0.233 CCCCOC(=O)COCC(=O)C 34a_100000211253_100000211628 [0,2,0,0,0,0|1,0,1]=4 16278 B12R0.233 CCCCOC(=O)COCC(C)Br 34a_100012180447_100000211628 [0,2,0,0,0,0|1,0,0]=3 16279 B12R0.233 CCCCOC(=O)COCC(C)C 34a_100000210257_100000211628 [0,2,0,0,0,0|1,0,0]=3 16280 B12R0.233 CCCCOC(=O)COCC(C)F 34a_100015925927_100000211628 [0,2,0,0,0,0|1,0,0]=3 16281 B12R0.233 CCCCOC(=O)COCC(F)F 34a_100000743014_100000211628 [0,2,0,0,0,0|2,0,0]=4 16282 B12R0.233 CCCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000211628 [0,2,0,0,0,0|1,0,0]=3 16283 B12R0.233 CCCCOC(=O)COC[C@@H](C)N 34a_100000737577_100000211628 [0,2,0,0,0,0|1,0,0]=3 16284 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000210624_100000211628 [0,2,0,0,0,0|1,0,0]=3 16285 B12R0.233 CCCCOC(=O)CSCC(C)C 62a_100000211628_100000210760 [0,2,0,0,0,0|1,0,0]=3 16286 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100000211628_100011218427 [0,2,0,0,0,0|1,0,0]=3 16287 B12R0.233 CCCCOC(=O)CSCC(C)O 62a_100011218427_100000211628 [0,2,0,0,0,0|1,0,0]=3 16288 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100000211628_100011934356 [0,2,0,0,0,0|2,0,0]=4 16289 B12R0.233 CCCCOC(=O)CSCC(F)F 62a_100011934356_100000211628 [0,2,0,0,0,0|2,0,0]=4 16290 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100000211628_100009817552 [0,2,0,0,0,0|1,0,0]=3 16291 B12R0.233 CCCCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000211628 [0,2,0,0,0,0|1,0,0]=3 16292 B12R0.233 CCCCOC(C)CCCC(C)C 34a_200011218570_100000210210 [0,2,0,0,0,0|1,0,1]=4 16293 B12R0.233 CCCCOC(C)CCCC(C)C 7a_200011218570_100000210211 [0,2,0,0,0,0|1,0,1]=4 16294 B12R0.233 CCCNN=C(C)CCCC(C)C 4a_100000740057_100000753411 [0,2,0,0,0,0|2,0,0]=4 16295 B12R0.233 CCCNNC(=O)CCCC(C)C 22a_100000740057_100011216857 [0,2,0,0,0,0|1,0,0]=3 16296 B12R0.233 CCCNNC(=O)CCCC(C)O 22a_100000740057_100000761597 [0,2,0,0,0,0|1,0,0]=3 16297 B12R0.233 CCCNNC(=O)CCCN(C)C 22a_100000740057_100000740757 [0,2,0,0,0,0|2,0,0]=4 16298 B12R0.233 CCCNNC(=O)COCC(C)C 22a_100000740057_100011223364 [0,2,0,0,0,0|2,0,0]=4 16299 B12R0.233 CCCNNC(=O)NCCC(C)C 273464a_100000210545_100000740057 [0,2,0,0,0,0|2,0,0]=4 16300 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000210545_100000740057 [0,2,0,0,0,0|2,0,0]=4 16301 B12R0.233 CCCNNC(=O)NCCC(C)C 512a_100000740057_100000210545 [0,2,0,0,0,0|2,0,0]=4 16302 B12R0.233 CCCNNC(=O)NCCC(C)O 273464a_200000755665_100000740057 [0,2,0,0,0,0|2,0,0]=4 16303 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_100000740057_200000755665 [0,2,0,0,0,0|2,0,0]=4 16304 B12R0.233 CCCNNC(=O)NCCC(C)O 512a_200000755665_100000740057 [0,2,0,0,0,0|2,0,0]=4 16305 B12R0.233 CCCOCC(=O)CCC=C(C)C 1458a_100000745993_100011217483 [0,2,0,0,0,0|0,0,2]=4 16306 B12R0.233 CCCOCC(=O)CCCC(=O)C 1458a_100000745993_100011215641 [0,2,0,0,0,0|0,0,1]=3 16307 B12R0.233 CCCOCC(=O)CCCC(=O)N 1458a_100000745993_100102525003 [0,2,0,0,0,0|1,0,1]=4 16308 B12R0.233 CCCOCC(=O)CCCC(C)C 1458a_100000745993_100011214892 [0,2,0,0,0,0|0,0,0]=2 16309 B12R0.233 CCCOCC(=O)CCCC(C)O 1458a_100000745993_200000718107 [0,2,0,0,0,0|0,0,0]=2 16310 B12R0.233 CCCOCC(=O)CCCN(C)C 1458a_100000745993_100000695564 [0,2,0,0,0,0|1,0,0]=3 16311 B12R0.233 CCCOCC(=O)CCNC(=O)C 1458a_100000745993_100000189650 [0,2,0,0,0,0|1,0,1]=4 16312 B12R0.233 CCCOCC(=O)CCOC(=O)C 1458a_100000745993_100009814007 [0,2,0,0,0,0|1,0,1]=4 16313 B12R0.233 CCCOCC(=O)CCOC(C)C 1458a_100000745993_100000211751 [0,2,0,0,0,0|1,0,0]=3 16314 B12R0.233 CCCOCC(=O)CCSC(C)C 1458a_100000745993_100000730970 [0,2,0,0,0,0|1,0,0]=3 16315 B12R0.233 CCCOCC(=O)NCCC(C)C 11a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 16316 B12R0.233 CCCOCC(=O)NCCC(C)C 1626a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 16317 B12R0.233 CCCOCC(=O)NCCC(C)C 240690a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 16318 B12R0.233 CCCOCC(=O)NCCC(C)C 527a_100000210545_100000745993 [0,2,0,0,0,0|1,0,0]=3 16319 B12R0.233 CCCOCC(=O)NCCC(C)O 240690a_200000755665_100000745993 [0,2,0,0,0,0|1,0,0]=3 16320 B12R0.233 CCCOCC(=O)NCCC(C)O 527a_200000755665_100000745993 [0,2,0,0,0,0|1,0,0]=3 16321 B12R0.233 CCCOCC(=O)NCCN(C)C 240690a_100000210585_100000745993 [0,2,0,0,0,0|2,0,0]=4 16322 B12R0.233 CCCOCC(=O)NCCN(C)C 527a_100000210585_100000745993 [0,2,0,0,0,0|2,0,0]=4 16323 B12R0.233 CCCOCC(=O)NNCC(C)C 22a_100000696102_100000745993 [0,2,0,0,0,0|2,0,0]=4 16324 B12R0.233 CCCOCC(=O)NNCC(C)O 22a_200000730056_100000745993 [0,2,0,0,0,0|2,0,0]=4 16325 B12R0.233 CCCSCC(=O)CCCC(=O)C 1458a_100000217233_100011215641 [0,2,0,0,0,0|0,1,1]=4 16326 B12R0.233 CCCSCC(=O)CCCC(C)C 1458a_100000217233_100011214892 [0,2,0,0,0,0|0,1,0]=3 16327 B12R0.233 CCCSCC(=O)CCCC(C)O 1458a_100000217233_200000718107 [0,2,0,0,0,0|0,1,0]=3 16328 B12R0.233 CCCSCC(=O)CCCN(C)C 1458a_100000217233_100000695564 [0,2,0,0,0,0|1,1,0]=4 16329 B12R0.233 CCCSCC(=O)CCOC(C)C 1458a_100000217233_100000211751 [0,2,0,0,0,0|1,1,0]=4 16330 B12R0.233 CCCSCC(=O)CCSC(C)C 1458a_100000217233_100000730970 [0,2,0,0,0,0|1,1,0]=4 16331 B12R0.233 CCCSCC(=O)NCCC(C)C 11a_100000210545_100000217233 [0,2,0,0,0,0|1,1,0]=4 16332 B12R0.233 CCCSCC(=O)NCCC(C)C 1626a_100000210545_100000217233 [0,2,0,0,0,0|1,1,0]=4 16333 B12R0.233 CCCSCC(=O)NCCC(C)C 240690a_100000210545_100000217233 [0,2,0,0,0,0|1,1,0]=4 16334 B12R0.233 CCCSCC(=O)NCCC(C)C 527a_100000210545_100000217233 [0,2,0,0,0,0|1,1,0]=4 16335 B12R0.233 CCCSCC(=O)NCCC(C)O 240690a_200000755665_100000217233 [0,2,0,0,0,0|1,1,0]=4 16336 B12R0.233 CCCSCC(=O)NCCC(C)O 527a_200000755665_100000217233 [0,2,0,0,0,0|1,1,0]=4 16337 B12R0.233 CCCSCC(=O)NCCN(C)C 240690a_100000210585_100000217233 [0,2,0,0,0,0|2,0,0]=4 16338 B12R0.233 CCCSCC(=O)NCCN(C)C 527a_100000210585_100000217233 [0,2,0,0,0,0|2,0,0]=4 16339 B12R0.233 CCCSCC(=O)NNCC(C)C 22a_100000696102_100000217233 [0,2,0,0,0,0|2,0,0]=4 16340 B12R0.233 CCCSCC(=O)NNCC(C)O 22a_200000730056_100000217233 [0,2,0,0,0,0|2,0,0]=4 16341 B12R0.233 CCOC=CC(=O)CCCC(C)C 1458a_100016266692_100011214892 [0,2,0,0,0,0|1,0,1]=4 16342 B12R0.233 CCOC=CC(=O)CCCC(C)O 1458a_100016266692_200000718107 [0,2,0,0,0,0|1,0,1]=4 16343 B12R0.233 CCOCCC(=O)CCCC(=O)C 1458a_100000749530_100011215641 [0,2,0,0,0,0|1,0,1]=4 16344 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100000749530_100011214892 [0,2,0,0,0,0|1,0,0]=3 16345 B12R0.233 CCOCCC(=O)CCCC(C)C 1458a_100011216857_100011215890 [0,2,0,0,0,0|1,0,0]=3 16346 B12R0.233 CCOCCC(=O)CCCC(C)O 1458a_100000749530_200000718107 [0,2,0,0,0,0|1,0,0]=3 16347 B12R0.233 CCOCCC(=O)CCCN(C)C 1458a_100000749530_100000695564 [0,2,0,0,0,0|2,0,0]=4 16348 B12R0.233 CCOCCC(=O)CCOC(C)C 1458a_100000749530_100000211751 [0,2,0,0,0,0|2,0,0]=4 16349 B12R0.233 CCOCCC(=O)CCSC(C)C 1458a_100000749530_100000730970 [0,2,0,0,0,0|2,0,0]=4 16350 B12R0.233 CCOCCC(=O)COCC(C)C 1458a_100011223364_100011215890 [0,2,0,0,0,0|1,0,0]=3 16351 B12R0.233 CCOCCC(=O)NCCC(C)C 11a_100000210545_100000749530 [0,2,0,0,0,0|2,0,0]=4 16352 B12R0.233 CCOCCC(=O)NCCC(C)C 1626a_100000210545_100000749530 [0,2,0,0,0,0|2,0,0]=4 16353 B12R0.233 CCOCCC(=O)NCCC(C)C 240690a_100000210545_100000749530 [0,2,0,0,0,0|2,0,0]=4 16354 B12R0.233 CCOCCC(=O)NCCC(C)C 527a_100000210545_100000749530 [0,2,0,0,0,0|2,0,0]=4 16355 B12R0.233 CCOCCC(=O)NCCC(C)O 240690a_200000755665_100000749530 [0,2,0,0,0,0|2,0,0]=4 16356 B12R0.233 CCOCCC(=O)NCCC(C)O 527a_200000755665_100000749530 [0,2,0,0,0,0|2,0,0]=4 16357 B12R0.233 CCOCCC(=O)NCCN(C)C 240690a_100000210585_100000749530 [0,2,0,0,0,0|2,0,0]=4 16358 B12R0.233 CCOCCC(=O)NCCN(C)C 527a_100000210585_100000749530 [0,2,0,0,0,0|2,0,0]=4 16359 B12R0.233 CCOCCC(=O)NNCC(C)C 22a_100000696102_100000749530 [0,2,0,0,0,0|2,0,0]=4 16360 B12R0.233 CCOCCC(=O)NNCC(C)O 22a_200000730056_100000749530 [0,2,0,0,0,0|2,0,0]=4 16361 B12R0.233 CCSCCC(=O)CCCC(=O)C 1458a_100000230768_100011215641 [0,2,0,0,0,0|1,0,1]=4 16362 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100000230768_100011214892 [0,2,0,0,0,0|1,0,0]=3 16363 B12R0.233 CCSCCC(=O)CCCC(C)C 1458a_100011216857_100000757381 [0,2,0,0,0,0|1,0,0]=3 16364 B12R0.233 CCSCCC(=O)CCCC(C)O 1458a_100000230768_200000718107 [0,2,0,0,0,0|1,0,0]=3 16365 B12R0.233 CCSCCC(=O)CCCN(C)C 1458a_100000230768_100000695564 [0,2,0,0,0,0|2,0,0]=4 16366 B12R0.233 CCSCCC(=O)CCOC(C)C 1458a_100000230768_100000211751 [0,2,0,0,0,0|2,0,0]=4 16367 B12R0.233 CCSCCC(=O)CCSC(C)C 1458a_100000230768_100000730970 [0,2,0,0,0,0|2,0,0]=4 16368 B12R0.233 CCSCCC(=O)COCC(C)C 1458a_100011223364_100000757381 [0,2,0,0,0,0|1,0,0]=3 16369 B12R0.233 CCSCCC(=O)NCCC(C)C 11a_100000210545_100000230768 [0,2,0,0,0,0|2,0,0]=4 16370 B12R0.233 CCSCCC(=O)NCCC(C)C 1626a_100000210545_100000230768 [0,2,0,0,0,0|2,0,0]=4 16371 B12R0.233 CCSCCC(=O)NCCC(C)C 240690a_100000210545_100000230768 [0,2,0,0,0,0|2,0,0]=4 16372 B12R0.233 CCSCCC(=O)NCCC(C)C 527a_100000210545_100000230768 [0,2,0,0,0,0|2,0,0]=4 16373 B12R0.233 CCSCCC(=O)NCCC(C)O 240690a_200000755665_100000230768 [0,2,0,0,0,0|2,0,0]=4 16374 B12R0.233 CCSCCC(=O)NCCC(C)O 527a_200000755665_100000230768 [0,2,0,0,0,0|2,0,0]=4 16375 B12R0.233 CCSCCC(=O)NCCN(C)C 240690a_100000210585_100000230768 [0,2,0,0,0,0|2,0,0]=4 16376 B12R0.233 CCSCCC(=O)NCCN(C)C 527a_100000210585_100000230768 [0,2,0,0,0,0|2,0,0]=4 16377 B12R0.233 CCSCCC(=O)NNCC(C)C 22a_100000696102_100000230768 [0,2,0,0,0,0|2,0,0]=4 16378 B12R0.233 CCSCCC(=O)NNCC(C)O 22a_200000730056_100000230768 [0,2,0,0,0,0|2,0,0]=4 16379 B12R0.233 CN(C)CCCC(=O)CCCCO 1458a_100000695505_100000695564 [0,2,0,0,0,0|2,0,0]=4 16380 B12R0.233 CN(C)CCCC(=O)COCCO 1458a_100000708028_100000695564 [0,2,0,0,0,0|2,0,0]=4 16381 B12R0.233 CN(C)CCCC(=O)NCCCF 11a_100015189416_100000740757 [0,2,0,0,0,0|2,0,0]=4 16382 B12R0.233 CN(C)CCCC(=O)NCCCF 240690a_100015189416_100000740757 [0,2,0,0,0,0|2,0,0]=4 16383 B12R0.233 CN(C)CCCC(=O)NCCCO 240690a_100000182051_100000740757 [0,2,0,0,0,0|2,0,0]=4 16384 B12R0.233 COCC=CC(=O)CCCC(C)C 1458a_100016285016_100011214892 [0,2,0,0,0,0|1,0,1]=4 16385 B12R0.233 COCC=CC(=O)CCCC(C)O 1458a_100016285016_200000718107 [0,2,0,0,0,0|1,0,1]=4 16386 B12R0.233 COCCCC(=O)CCCC(=O)C 1458a_100000741012_100011215641 [0,2,0,0,0,0|1,0,1]=4 16387 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100000741012_100011214892 [0,2,0,0,0,0|1,0,0]=3 16388 B12R0.233 COCCCC(=O)CCCC(C)C 1458a_100011216857_100000740836 [0,2,0,0,0,0|1,0,0]=3 16389 B12R0.233 COCCCC(=O)CCCC(C)O 1458a_100000741012_200000718107 [0,2,0,0,0,0|1,0,0]=3 16390 B12R0.233 COCCCC(=O)CCCN(C)C 1458a_100000741012_100000695564 [0,2,0,0,0,0|2,0,0]=4 16391 B12R0.233 COCCCC(=O)CCOC(C)C 1458a_100000741012_100000211751 [0,2,0,0,0,0|2,0,0]=4 16392 B12R0.233 COCCCC(=O)CCSC(C)C 1458a_100000741012_100000730970 [0,2,0,0,0,0|2,0,0]=4 16393 B12R0.233 COCCCC(=O)COCC(C)C 1458a_100011223364_100000740836 [0,2,0,0,0,0|1,0,0]=3 16394 B12R0.233 COCCCC(=O)NCCC(C)C 11a_100000210545_100000741012 [0,2,0,0,0,0|2,0,0]=4 16395 B12R0.233 COCCCC(=O)NCCC(C)C 1626a_100000210545_100000741012 [0,2,0,0,0,0|2,0,0]=4 16396 B12R0.233 COCCCC(=O)NCCC(C)C 240690a_100000210545_100000741012 [0,2,0,0,0,0|2,0,0]=4 16397 B12R0.233 COCCCC(=O)NCCC(C)C 527a_100000210545_100000741012 [0,2,0,0,0,0|2,0,0]=4 16398 B12R0.233 COCCCC(=O)NCCC(C)O 240690a_200000755665_100000741012 [0,2,0,0,0,0|2,0,0]=4 16399 B12R0.233 COCCCC(=O)NCCC(C)O 527a_200000755665_100000741012 [0,2,0,0,0,0|2,0,0]=4 16400 B12R0.233 COCCCC(=O)NCCN(C)C 240690a_100000210585_100000741012 [0,2,0,0,0,0|2,0,0]=4 16401 B12R0.233 COCCCC(=O)NCCN(C)C 527a_100000210585_100000741012 [0,2,0,0,0,0|2,0,0]=4 16402 B12R0.233 COCCCC(=O)NNCC(C)C 22a_100000696102_100000741012 [0,2,0,0,0,0|2,0,0]=4 16403 B12R0.233 COCCCC(=O)NNCC(C)O 22a_200000730056_100000741012 [0,2,0,0,0,0|2,0,0]=4 16404 B12R0.233 COCCNC(=O)CCCC(C)C 1626a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 16405 B12R0.233 COCCNC(=O)CCCC(C)C 240690a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 16406 B12R0.233 COCCNC(=O)CCCC(C)C 527a_100000209980_100011216857 [0,2,0,0,0,0|1,0,0]=3 16407 B12R0.233 COCCNC(=O)CCCC(C)O 1626a_100000209980_100000761597 [0,2,0,0,0,0|1,0,0]=3 16408 B12R0.233 COCCNC(=O)CCCC(C)O 527a_100000209980_100000761597 [0,2,0,0,0,0|1,0,0]=3 16409 B12R0.233 COCCNC(=O)CCCN(C)C 240690a_100000209980_100000740757 [0,2,0,0,0,0|2,0,0]=4 16410 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000210953_100000183275 [0,2,0,0,0,0|2,0,0]=4 16411 B12R0.233 COCCNC(=O)CNCC(C)C 2230a_100000754632_100000210760 [0,2,0,0,0,0|2,0,0]=4 16412 B12R0.233 COCCNC(=O)CNCC(C)C 34a_100000210953_100000183275 [0,2,0,0,0,0|2,0,0]=4 16413 B12R0.233 COCCNC(=O)CNCC(C)O 2230a_100000210904_100000183275 [0,2,0,0,0,0|2,0,0]=4 16414 B12R0.233 COCCNC(=O)CNCC(C)O 2230a_100000754632_100011218427 [0,2,0,0,0,0|2,0,0]=4 16415 B12R0.233 COCCNC(=O)CNCC(C)O 34a_100000210904_100000183275 [0,2,0,0,0,0|2,0,0]=4 16416 B12R0.233 COCCNC(=O)CNC[C@@H](C)O 2230a_100000754632_100009817552 [0,2,0,0,0,0|2,0,0]=4 16417 B12R0.233 COCCNC(=O)COCC(C)Br 34a_100012180447_100000183275 [0,2,0,0,0,0|2,0,0]=4 16418 B12R0.233 COCCNC(=O)COCC(C)C 1626a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 16419 B12R0.233 COCCNC(=O)COCC(C)C 240690a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 16420 B12R0.233 COCCNC(=O)COCC(C)C 34a_100000210257_100000183275 [0,2,0,0,0,0|2,0,0]=4 16421 B12R0.233 COCCNC(=O)COCC(C)C 527a_100000209980_100011223364 [0,2,0,0,0,0|2,0,0]=4 16422 B12R0.233 COCCNC(=O)COCC(C)F 34a_100015925927_100000183275 [0,2,0,0,0,0|2,0,0]=4 16423 B12R0.233 COCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183275 [0,2,0,0,0,0|2,0,0]=4 16424 B12R0.233 COCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183275 [0,2,0,0,0,0|2,0,0]=4 16425 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000183275_100000210760 [0,2,0,0,0,0|2,0,0]=4 16426 B12R0.233 COCCNC(=O)CSCC(C)C 62a_100000210624_100000183275 [0,2,0,0,0,0|2,0,0]=4 16427 B12R0.233 COCCNC(=O)CSCC(C)O 62a_100000183275_100011218427 [0,2,0,0,0,0|2,0,0]=4 16428 B12R0.233 COCCNC(=O)CSCC(C)O 62a_100011218427_100000183275 [0,2,0,0,0,0|2,0,0]=4 16429 B12R0.233 COCCNC(=O)CSC[C@@H](C)O 62a_100000183275_100009817552 [0,2,0,0,0,0|2,0,0]=4 16430 B12R0.233 COCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183275 [0,2,0,0,0,0|2,0,0]=4 16431 B12R0.233 COCCNC(=O)NCCC(C)C 2708a_100000210545_100000209980 [0,2,0,0,0,0|2,0,0]=4 16432 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000209980_100000210545 [0,2,0,0,0,0|2,0,0]=4 16433 B12R0.233 COCCNC(=O)NCCC(C)C 273464a_100000210545_100000209980 [0,2,0,0,0,0|2,0,0]=4 16434 B12R0.233 COCCNC(=O)NCCC(C)O 273464a_200000755665_100000209980 [0,2,0,0,0,0|2,0,0]=4 16435 B12R0.233 COCCOC(=O)CNCC(C)C 2230a_100000210953_200000040189 [0,2,0,0,0,0|1,0,0]=3 16436 B12R0.233 COCCOC(=O)CNCC(C)C 34a_100000210953_200000040189 [0,2,0,0,0,0|1,0,0]=3 16437 B12R0.233 COCCOC(=O)CNCC(C)O 2230a_100000210904_200000040189 [0,2,0,0,0,0|1,0,0]=3 16438 B12R0.233 COCCOC(=O)CNCC(C)O 34a_100000210904_200000040189 [0,2,0,0,0,0|1,0,0]=3 16439 B12R0.233 COCCOC(=O)CNCC(F)F 34a_100000765723_200000040189 [0,2,0,0,0,0|2,0,0]=4 16440 B12R0.233 COCCOC(=O)COCC(=O)C 34a_100000211253_200000040189 [0,2,0,0,0,0|1,0,1]=4 16441 B12R0.233 COCCOC(=O)COCC(C)Br 34a_100012180447_200000040189 [0,2,0,0,0,0|1,0,0]=3 16442 B12R0.233 COCCOC(=O)COCC(C)C 34a_100000210257_200000040189 [0,2,0,0,0,0|1,0,0]=3 16443 B12R0.233 COCCOC(=O)COCC(C)F 34a_100015925927_200000040189 [0,2,0,0,0,0|1,0,0]=3 16444 B12R0.233 COCCOC(=O)COCC(F)F 34a_100000743014_200000040189 [0,2,0,0,0,0|2,0,0]=4 16445 B12R0.233 COCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200000040189 [0,2,0,0,0,0|1,0,0]=3 16446 B12R0.233 COCCOC(=O)COC[C@@H](C)N 34a_100000737577_200000040189 [0,2,0,0,0,0|1,0,0]=3 16447 B12R0.233 COCCOC(=O)CSCC(C)C 62a_100000210624_200000040189 [0,2,0,0,0,0|1,0,0]=3 16448 B12R0.233 COCCOC(=O)CSCC(C)C 62a_200000040189_100000210760 [0,2,0,0,0,0|1,0,0]=3 16449 B12R0.233 COCCOC(=O)CSCC(C)O 62a_100011218427_200000040189 [0,2,0,0,0,0|1,0,0]=3 16450 B12R0.233 COCCOC(=O)CSCC(C)O 62a_200000040189_100011218427 [0,2,0,0,0,0|1,0,0]=3 16451 B12R0.233 COCCOC(=O)CSCC(F)F 62a_100011934356_200000040189 [0,2,0,0,0,0|2,0,0]=4 16452 B12R0.233 COCCOC(=O)CSCC(F)F 62a_200000040189_100011934356 [0,2,0,0,0,0|2,0,0]=4 16453 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200000040189 [0,2,0,0,0,0|1,0,0]=3 16454 B12R0.233 COCCOC(=O)CSC[C@@H](C)O 62a_200000040189_100009817552 [0,2,0,0,0,0|1,0,0]=3 16455 B12R0.233 COCCOC(C)CCCC(C)C 34a_200011218570_100011201679 [0,2,0,0,0,0|1,0,1]=4 16456 B12R0.233 COCCOC(C)CCCC(C)C 7a_200011218570_100000233755 [0,2,0,0,0,0|1,0,1]=4 16457 B12R0.233 CSCCCC(=O)CCCC(=O)C 1458a_100000173376_100011215641 [0,2,0,0,0,0|1,0,1]=4 16458 B12R0.233 CSCCCC(=O)CCCC(C)C 1458a_100000173376_100011214892 [0,2,0,0,0,0|1,0,0]=3 16459 B12R0.233 CSCCCC(=O)CCCC(C)O 1458a_100000173376_200000718107 [0,2,0,0,0,0|1,0,0]=3 16460 B12R0.233 CSCCCC(=O)CCCN(C)C 1458a_100000173376_100000695564 [0,2,0,0,0,0|2,0,0]=4 16461 B12R0.233 CSCCCC(=O)CCOC(C)C 1458a_100000173376_100000211751 [0,2,0,0,0,0|2,0,0]=4 16462 B12R0.233 CSCCCC(=O)CCSC(C)C 1458a_100000173376_100000730970 [0,2,0,0,0,0|2,0,0]=4 16463 B12R0.233 CSCCCC(=O)NCCC(C)C 11a_100000210545_100000173376 [0,2,0,0,0,0|2,0,0]=4 16464 B12R0.233 CSCCCC(=O)NCCC(C)C 1626a_100000210545_100000173376 [0,2,0,0,0,0|2,0,0]=4 16465 B12R0.233 CSCCCC(=O)NCCC(C)C 240690a_100000210545_100000173376 [0,2,0,0,0,0|2,0,0]=4 16466 B12R0.233 CSCCCC(=O)NCCC(C)C 527a_100000210545_100000173376 [0,2,0,0,0,0|2,0,0]=4 16467 B12R0.233 CSCCCC(=O)NCCC(C)O 240690a_200000755665_100000173376 [0,2,0,0,0,0|2,0,0]=4 16468 B12R0.233 CSCCCC(=O)NCCC(C)O 527a_200000755665_100000173376 [0,2,0,0,0,0|2,0,0]=4 16469 B12R0.233 CSCCCC(=O)NCCN(C)C 240690a_100000210585_100000173376 [0,2,0,0,0,0|2,0,0]=4 16470 B12R0.233 CSCCCC(=O)NCCN(C)C 527a_100000210585_100000173376 [0,2,0,0,0,0|2,0,0]=4 16471 B12R0.233 CSCCCC(=O)NNCC(C)C 22a_100000696102_100000173376 [0,2,0,0,0,0|2,0,0]=4 16472 B12R0.233 CSCCCC(=O)NNCC(C)O 22a_200000730056_100000173376 [0,2,0,0,0,0|2,0,0]=4 16473 B12R0.233 CSCCNC(=O)CCCC(C)C 11a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 16474 B12R0.233 CSCCNC(=O)CCCC(C)C 1626a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 16475 B12R0.233 CSCCNC(=O)CCCC(C)C 240690a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 16476 B12R0.233 CSCCNC(=O)CCCC(C)C 527a_100020590264_100011216857 [0,2,0,0,0,0|1,0,0]=3 16477 B12R0.233 CSCCNC(=O)CCCC(C)O 1626a_100020590264_100000761597 [0,2,0,0,0,0|1,0,0]=3 16478 B12R0.233 CSCCNC(=O)CCCC(C)O 527a_100020590264_100000761597 [0,2,0,0,0,0|1,0,0]=3 16479 B12R0.233 CSCCNC(=O)CCCN(C)C 11a_100020590264_100000740757 [0,2,0,0,0,0|2,0,0]=4 16480 B12R0.233 CSCCNC(=O)CCCN(C)C 240690a_100020590264_100000740757 [0,2,0,0,0,0|2,0,0]=4 16481 B12R0.233 CSCCNC(=O)COCC(C)C 11a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 16482 B12R0.233 CSCCNC(=O)COCC(C)C 1626a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 16483 B12R0.233 CSCCNC(=O)COCC(C)C 240690a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 16484 B12R0.233 CSCCNC(=O)COCC(C)C 527a_100020590264_100011223364 [0,2,0,0,0,0|2,0,0]=4 16485 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100000210545_100020590264 [0,2,0,0,0,0|2,0,0]=4 16486 B12R0.233 CSCCNC(=O)NCCC(C)C 2708a_100020590264_100000210545 [0,2,0,0,0,0|2,0,0]=4 16487 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100000210545_100020590264 [0,2,0,0,0,0|2,0,0]=4 16488 B12R0.233 CSCCNC(=O)NCCC(C)C 273464a_100020590264_100000210545 [0,2,0,0,0,0|2,0,0]=4 16489 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100000210545_100020590264 [0,2,0,0,0,0|2,0,0]=4 16490 B12R0.233 CSCCNC(=O)NCCC(C)C 512a_100020590264_100000210545 [0,2,0,0,0,0|2,0,0]=4 16491 B12R0.233 CSCCNC(=O)NCCC(C)O 2708a_100020590264_200000755665 [0,2,0,0,0,0|2,0,0]=4 16492 B12R0.233 CSCCNC(=O)NCCC(C)O 273464a_200000755665_100020590264 [0,2,0,0,0,0|2,0,0]=4 16493 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_100020590264_200000755665 [0,2,0,0,0,0|2,0,0]=4 16494 B12R0.233 CSCCNC(=O)NCCC(C)O 512a_200000755665_100020590264 [0,2,0,0,0,0|2,0,0]=4 16495 B12R0.233 CSCCOC(C)CCCC(C)C 34a_200011218570_100000212216 [0,2,0,0,0,0|1,0,1]=4 16496 B12R0.233 CSCCOC(C)CCCC(C)C 7a_200011218570_100000212216 [0,2,0,0,0,0|1,0,1]=4 16497 B12R0.634 CCCCCS(=O)(=O)NCCCC 270084a_100000102301_100000753860 [0,2,0,0,0,0|2,0,0]=4 16498 B12R0.634 CCCCCS(=O)(=O)NCCCC 274078a_100000102301_100000753860 [0,2,0,0,0,0|2,0,0]=4 16499 B12R0.634 CCCCCS(=O)(=O)NCCCF 270084a_100015189416_100000753860 [0,2,0,0,0,0|2,0,0]=4 16500 B12R0.634 CCCCCS(=O)(=O)NCCCF 274078a_100015189416_100000753860 [0,2,0,0,0,0|2,0,0]=4 16501 B12R0.634 CCCCCS(=O)(=O)NCCCO 270084a_100000182051_100000753860 [0,2,0,0,0,0|2,0,0]=4 16502 B12R0.634 CCCCCS(=O)(=O)NCCCO 274078a_100000182051_100000753860 [0,2,0,0,0,0|2,0,0]=4 16503 B12R0.634 CCCCCS(=O)(=O)NCCOC 270084a_100000209980_100000753860 [0,2,0,0,0,0|2,0,0]=4 16504 B12R0.634 CCCCCS(=O)(=O)NCCOC 274078a_100000209980_100000753860 [0,2,0,0,0,0|2,0,0]=4 16505 B12R0.634 CCCCCS(=O)(=O)NCCSC 270084a_100020590264_100000753860 [0,2,0,0,0,0|2,0,0]=4 16506 B12R0.634 CCCCCS(=O)(=O)NCCSC 274078a_100020590264_100000753860 [0,2,0,0,0,0|2,0,0]=4 16507 B12R0.54 CC(C)CCCC(=O)C(C)CCO 1458a_100011216857_100009893172 [0,2,0,0,0,0|2,0,0]=4 16508 B12R0.54 CC(C)CCCC(=O)N(C)CCO 240690a_100000210263_100011216857 [0,2,0,0,0,0|2,0,0]=4 16509 B12R0.54 CC(C)CCCC(=O)N(C)CCO 527a_100000210263_100011216857 [0,2,0,0,0,0|2,0,0]=4 16510 B12R0.54 CC(O)CCCC(=O)N(C)CCO 527a_100000210263_100000761597 [0,2,0,0,0,0|2,0,0]=4 16511 B12R0.54 CC/C=C(\C)/C(=O)CCCC(C)C 1458a_100016988807_100011214892 [0,2,0,0,0,0|1,0,1]=4 16512 B12R0.54 CC/C=C(\C)/C(=O)CCCC(C)O 1458a_100016988807_200000718107 [0,2,0,0,0,0|1,0,1]=4 16513 B12R0.54 CCCC(C)C(=O)CCCC(=O)C 1458a_100000210906_100011215641 [0,2,0,0,0,0|1,0,1]=4 16514 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100000210906_100011214892 [0,2,0,0,0,0|1,0,0]=3 16515 B12R0.54 CCCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000766640 [0,2,0,0,0,0|1,0,0]=3 16516 B12R0.54 CCCC(C)C(=O)CCCC(C)O 1458a_100000210906_200000718107 [0,2,0,0,0,0|1,0,0]=3 16517 B12R0.54 CCCC(C)C(=O)CCCN(C)C 1458a_100000210906_100000695564 [0,2,0,0,0,0|2,0,0]=4 16518 B12R0.54 CCCC(C)C(=O)CCOC(C)C 1458a_100000210906_100000211751 [0,2,0,0,0,0|2,0,0]=4 16519 B12R0.54 CCCC(C)C(=O)CCSC(C)C 1458a_100000210906_100000730970 [0,2,0,0,0,0|2,0,0]=4 16520 B12R0.54 CCCC(C)C(=O)COCC(C)C 1458a_100011223364_100000766640 [0,2,0,0,0,0|2,0,0]=4 16521 B12R0.54 CCCC(C)C(=O)NCCC(C)C 11a_100000210545_100000210906 [0,2,0,0,0,0|2,0,0]=4 16522 B12R0.54 CCCC(C)C(=O)NCCC(C)C 1626a_100000210545_100000210906 [0,2,0,0,0,0|2,0,0]=4 16523 B12R0.54 CCCC(C)C(=O)NCCC(C)C 240690a_100000210545_100000210906 [0,2,0,0,0,0|2,0,0]=4 16524 B12R0.54 CCCC(C)C(=O)NCCC(C)C 527a_100000210545_100000210906 [0,2,0,0,0,0|2,0,0]=4 16525 B12R0.54 CCCC(C)C(=O)NCCC(C)O 240690a_200000755665_100000210906 [0,2,0,0,0,0|2,0,0]=4 16526 B12R0.54 CCCC(C)C(=O)NCCC(C)O 527a_200000755665_100000210906 [0,2,0,0,0,0|2,0,0]=4 16527 B12R0.54 CCCN(C)C(=O)CCCC(C)C 11a_100000747261_100011216857 [0,2,0,0,0,0|1,0,0]=3 16528 B12R0.54 CCCN(C)C(=O)CCCC(C)C 1626a_100000747261_100011216857 [0,2,0,0,0,0|1,0,0]=3 16529 B12R0.54 CCCN(C)C(=O)CCCC(C)C 240690a_100000747261_100011216857 [0,2,0,0,0,0|1,0,0]=3 16530 B12R0.54 CCCN(C)C(=O)CCCC(C)C 527a_100000747261_100011216857 [0,2,0,0,0,0|1,0,0]=3 16531 B12R0.54 CCCN(C)C(=O)CCCC(C)O 1626a_100000747261_100000761597 [0,2,0,0,0,0|1,0,0]=3 16532 B12R0.54 CCCN(C)C(=O)CCCC(C)O 527a_100000747261_100000761597 [0,2,0,0,0,0|1,0,0]=3 16533 B12R0.54 CCCN(C)C(=O)CCCN(C)C 11a_100000747261_100000740757 [0,2,0,0,0,0|2,0,0]=4 16534 B12R0.54 CCCN(C)C(=O)CCCN(C)C 240690a_100000747261_100000740757 [0,2,0,0,0,0|2,0,0]=4 16535 B12R0.54 CCCN(C)C(=O)COCC(C)C 11a_100000747261_100011223364 [0,2,0,0,0,0|2,0,0]=4 16536 B12R0.54 CCCN(C)C(=O)COCC(C)C 1626a_100000747261_100011223364 [0,2,0,0,0,0|2,0,0]=4 16537 B12R0.54 CCCN(C)C(=O)COCC(C)C 240690a_100000747261_100011223364 [0,2,0,0,0,0|2,0,0]=4 16538 B12R0.54 CCCN(C)C(=O)COCC(C)C 527a_100000747261_100011223364 [0,2,0,0,0,0|2,0,0]=4 16539 B12R0.54 CCCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000747261 [0,2,0,0,0,0|2,0,0]=4 16540 B12R0.54 CCCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000747261 [0,2,0,0,0,0|2,0,0]=4 16541 B12R0.54 CCCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000747261 [0,2,0,0,0,0|2,0,0]=4 16542 B12R0.54 CCC[C@H](O)C(=O)CCCC(=O)C 1458a_100009822183_100011215641 [0,2,0,0,0,0|1,0,1]=4 16543 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)C 1458a_100009822183_100011214892 [0,2,0,0,0,0|1,0,0]=3 16544 B12R0.54 CCC[C@H](O)C(=O)CCCC(C)O 1458a_100009822183_200000718107 [0,2,0,0,0,0|1,0,0]=3 16545 B12R0.54 CCC[C@H](O)C(=O)CCCN(C)C 1458a_100009822183_100000695564 [0,2,0,0,0,0|2,0,0]=4 16546 B12R0.54 CCC[C@H](O)C(=O)CCOC(C)C 1458a_100009822183_100000211751 [0,2,0,0,0,0|2,0,0]=4 16547 B12R0.54 CCC[C@H](O)C(=O)CCSC(C)C 1458a_100009822183_100000730970 [0,2,0,0,0,0|2,0,0]=4 16548 B12R0.54 CCC[C@H](O)C(=O)NCCC(C)C 240690a_100000210545_100009822183 [0,2,0,0,0,0|2,0,0]=4 16549 B12R0.54 CCC[C@H](O)C(=O)NCCC(C)O 240690a_200000755665_100009822183 [0,2,0,0,0,0|2,0,0]=4 16550 B12R0.54 CCNC(=O)C(=O)CCCC(C)C 1458a_200011297158_100011214892 [0,2,0,0,0,0|2,0,0]=4 16551 B12R0.54 CCNC(=O)C(=O)CCCC(C)O 1458a_200011297158_200000718107 [0,2,0,0,0,0|2,0,0]=4 16552 B12R0.54 CCOC(C)C(=O)CCCC(C)C 1458a_100000739345_100011214892 [0,2,0,0,0,0|2,0,0]=4 16553 B12R0.54 CCOC(C)C(=O)CCCC(C)O 1458a_100000739345_200000718107 [0,2,0,0,0,0|2,0,0]=4 16554 B12R0.54 CCSC(C)C(=O)CCCC(C)C 1458a_100000230601_100011214892 [0,2,0,0,0,0|2,0,0]=4 16555 B12R0.54 CCSC(C)C(=O)CCCC(C)O 1458a_100000230601_200000718107 [0,2,0,0,0,0|2,0,0]=4 16556 B12R0.54 COCC(C)C(=O)CCCC(C)C 1458a_100000751857_100011214892 [0,2,0,0,0,0|2,0,0]=4 16557 B12R0.54 COCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000765312 [0,2,0,0,0,0|2,0,0]=4 16558 B12R0.54 COCC(C)C(=O)CCCC(C)O 1458a_100000751857_200000718107 [0,2,0,0,0,0|2,0,0]=4 16559 B12R0.54 CSCC(C)C(=O)CCCC(C)C 1458a_100000753918_100011214892 [0,2,0,0,0,0|2,0,0]=4 16560 B12R0.54 CSCC(C)C(=O)CCCC(C)O 1458a_100000753918_200000718107 [0,2,0,0,0,0|2,0,0]=4 16561 B12R0.104 CCCCC(=O)CCCC(F)(F)F 1458a_100000210183_100011216173 [0,2,0,0,0,0|2,0,0]=4 16562 B12R0.104 CCCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210211 [0,2,0,0,0,0|2,0,0]=4 16563 B12R0.104 CCCCC(=O)CCCS(=O)(=O)C 1458a_100000210183_100000754308 [0,2,0,0,0,0|2,0,0]=4 16564 B12R0.104 CCCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210211 [0,2,0,0,0,0|2,0,0]=4 16565 B12R0.104 CCCCC(=O)CCC[N+](C)(C)C 1458a_100000210183_100016990835 [0,2,0,0,0,0|2,0,0]=4 16566 B12R0.104 CCCCC(=O)CCC[Si](C)(C)C 1458a_100000210183_100011219597 [0,2,0,0,0,0|1,1,0]=4 16567 B12R0.104 CCCCC(=O)NCCC(C)(C)C 11a_100000738805_100000210183 [0,2,0,0,0,0|2,0,0]=4 16568 B12R0.104 CCCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000210183 [0,2,0,0,0,0|2,0,0]=4 16569 B12R0.104 CCCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000210183 [0,2,0,0,0,0|2,0,0]=4 16570 B12R0.104 CCCCC(=O)NCCC(C)(C)C 527a_100000738805_100000210183 [0,2,0,0,0,0|2,0,0]=4 16571 B12R0.104 CCCCC(=O)NCCC(C)(C)F 11a_100016253952_100000210183 [0,2,0,0,0,0|2,0,0]=4 16572 B12R0.104 CCCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000210183 [0,2,0,0,0,0|2,0,0]=4 16573 B12R0.104 CCCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000210183 [0,2,0,0,0,0|2,0,0]=4 16574 B12R0.104 CCCCC(=O)NCCC(C)(C)F 527a_100016253952_100000210183 [0,2,0,0,0,0|2,0,0]=4 16575 B12R0.104 CCCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000210183 [0,2,0,0,0,0|2,0,0]=4 16576 B12R0.104 CCCCC(=O)NCCC(C)(C)O 527a_100000707701_100000210183 [0,2,0,0,0,0|2,0,0]=4 16577 B12R0.104 CCCNC(=O)CCCC(F)(F)F 11a_100020643023_100000764234 [0,2,0,0,0,0|2,0,0]=4 16578 B12R0.104 CCCNC(=O)CCCC(F)(F)F 1626a_100020643023_100000764234 [0,2,0,0,0,0|2,0,0]=4 16579 B12R0.104 CCCNC(=O)CCCC(F)(F)F 240690a_100020643023_100000764234 [0,2,0,0,0,0|2,0,0]=4 16580 B12R0.104 CCCNC(=O)CCCC(F)(F)F 527a_100020643023_100000764234 [0,2,0,0,0,0|2,0,0]=4 16581 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 11a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 16582 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 1626a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 16583 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 240690a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 16584 B12R0.104 CCCNC(=O)CCC[N+](C)(C)C 527a_100020643023_100000085584 [0,2,0,0,0,0|2,0,0]=4 16585 B12R0.104 CCCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183358 [0,2,0,0,0,0|2,0,0]=4 16586 B12R0.104 CCCNC(=O)CNCC(C)(C)C 270004a_100000174927_100011204126 [0,2,0,0,0,0|2,0,0]=4 16587 B12R0.104 CCCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183358 [0,2,0,0,0,0|2,0,0]=4 16588 B12R0.104 CCCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183358 [0,2,0,0,0,0|2,0,0]=4 16589 B12R0.104 CCCNC(=O)COCC(C)(C)F 34a_100000716592_100000183358 [0,2,0,0,0,0|2,0,0]=4 16590 B12R0.104 CCCNC(=O)COCC(C)(F)F 34a_100000068830_100000183358 [0,2,0,0,0,0|2,0,0]=4 16591 B12R0.104 CCCNC(=O)CSCC(C)(C)C 62a_100000183358_100011219605 [0,2,0,0,0,0|2,0,0]=4 16592 B12R0.104 CCCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183358 [0,2,0,0,0,0|2,0,0]=4 16593 B12R0.104 CCCNC(=O)CSCC(C)(C)F 62a_100000183358_100011997219 [0,2,0,0,0,0|2,0,0]=4 16594 B12R0.104 CCCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183358 [0,2,0,0,0,0|2,0,0]=4 16595 B12R0.104 CCCNC(=O)CSCC(C)(C)O 62a_100000183358_100000764493 [0,2,0,0,0,0|2,0,0]=4 16596 B12R0.104 CCCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183358 [0,2,0,0,0,0|2,0,0]=4 16597 B12R0.104 CCCNC(=O)NCCC(C)(C)C 2708a_100000738805_100020643023 [0,2,0,0,0,0|2,0,0]=4 16598 B12R0.104 CCCNC(=O)NCCC(C)(C)C 2708a_100020643023_100000738805 [0,2,0,0,0,0|2,0,0]=4 16599 B12R0.104 CCCNC(=O)NCCC(C)(C)C 273464a_100000738805_100020643023 [0,2,0,0,0,0|2,0,0]=4 16600 B12R0.104 CCCNC(=O)NCCC(C)(C)C 273464a_100020643023_100000738805 [0,2,0,0,0,0|2,0,0]=4 16601 B12R0.104 CCCNC(=O)NCCC(C)(C)C 512a_100000738805_100020643023 [0,2,0,0,0,0|2,0,0]=4 16602 B12R0.104 CCCNC(=O)NCCC(C)(C)C 512a_100020643023_100000738805 [0,2,0,0,0,0|2,0,0]=4 16603 B12R0.104 CCCNC(=O)NCCC(C)(C)F 2708a_100016253952_100020643023 [0,2,0,0,0,0|2,0,0]=4 16604 B12R0.104 CCCNC(=O)NCCC(C)(C)F 2708a_100020643023_100016253952 [0,2,0,0,0,0|2,0,0]=4 16605 B12R0.104 CCCNC(=O)NCCC(C)(C)F 273464a_100016253952_100020643023 [0,2,0,0,0,0|2,0,0]=4 16606 B12R0.104 CCCNC(=O)NCCC(C)(C)F 273464a_100020643023_100016253952 [0,2,0,0,0,0|2,0,0]=4 16607 B12R0.104 CCCNC(=O)NCCC(C)(C)F 512a_100016253952_100020643023 [0,2,0,0,0,0|2,0,0]=4 16608 B12R0.104 CCCNC(=O)NCCC(C)(C)F 512a_100020643023_100016253952 [0,2,0,0,0,0|2,0,0]=4 16609 B12R0.104 CCCNC(=O)NCCC(C)(C)O 2708a_100000707701_100020643023 [0,2,0,0,0,0|2,0,0]=4 16610 B12R0.104 CCCNC(=O)NCCC(C)(C)O 2708a_100020643023_100000707701 [0,2,0,0,0,0|2,0,0]=4 16611 B12R0.104 CCCNC(=O)NCCC(C)(C)O 273464a_100000707701_100020643023 [0,2,0,0,0,0|2,0,0]=4 16612 B12R0.104 CCCNC(=O)NCCC(C)(C)O 273464a_100020643023_100000707701 [0,2,0,0,0,0|2,0,0]=4 16613 B12R0.104 CCCNC(=O)NCCC(C)(C)O 512a_100000707701_100020643023 [0,2,0,0,0,0|2,0,0]=4 16614 B12R0.104 CCCNC(=O)NCCC(C)(C)O 512a_100020643023_100000707701 [0,2,0,0,0,0|2,0,0]=4 16615 B12R0.104 CCCOC(=O)CNCC(C)(C)C 2230a_100000743828_200011215008 [0,2,0,0,0,0|1,0,0]=3 16616 B12R0.104 CCCOC(=O)CNCC(C)(C)F 2230a_100020643315_200011215008 [0,2,0,0,0,0|1,0,0]=3 16617 B12R0.104 CCCOC(=O)CNCC(C)(C)O 2230a_100000751335_200011215008 [0,2,0,0,0,0|1,0,0]=3 16618 B12R0.104 CCCOC(=O)CNCC(F)(F)F 34a_100000717047_200011215008 [0,2,0,0,0,0|2,0,0]=4 16619 B12R0.104 CCCOC(=O)COCC(C)(C)F 34a_100000716592_200011215008 [0,2,0,0,0,0|1,0,0]=3 16620 B12R0.104 CCCOC(=O)COCC(C)(F)F 34a_100000068830_200011215008 [0,2,0,0,0,0|1,0,0]=3 16621 B12R0.104 CCCOC(=O)COCC(F)(F)Br 34a_100011217949_200011215008 [0,2,0,0,0,0|2,0,0]=4 16622 B12R0.104 CCCOC(=O)COCC(F)(F)Cl 34a_100000734434_200011215008 [0,2,0,0,0,0|2,0,0]=4 16623 B12R0.104 CCCOC(=O)COCC(F)(F)F 34a_100000210435_200011215008 [0,2,0,0,0,0|2,0,0]=4 16624 B12R0.104 CCCOC(=O)CSCC(C)(C)C 62a_100011219605_200011215008 [0,2,0,0,0,0|1,0,0]=3 16625 B12R0.104 CCCOC(=O)CSCC(C)(C)C 62a_200011215008_100011219605 [0,2,0,0,0,0|1,0,0]=3 16626 B12R0.104 CCCOC(=O)CSCC(C)(C)F 62a_100011997219_200011215008 [0,2,0,0,0,0|1,0,0]=3 16627 B12R0.104 CCCOC(=O)CSCC(C)(C)F 62a_200011215008_100011997219 [0,2,0,0,0,0|1,0,0]=3 16628 B12R0.104 CCCOC(=O)CSCC(C)(C)O 62a_100000764493_200011215008 [0,2,0,0,0,0|1,0,0]=3 16629 B12R0.104 CCCOC(=O)CSCC(C)(C)O 62a_200011215008_100000764493 [0,2,0,0,0,0|1,0,0]=3 16630 B12R0.104 CCCOC(=O)CSCC(F)(F)F 62a_100000763148_200011215008 [0,2,0,0,0,0|2,0,0]=4 16631 B12R0.104 CCCOC(=O)CSCC(F)(F)F 62a_200011215008_100000763148 [0,2,0,0,0,0|2,0,0]=4 16632 B12R0.104 CCCOC(=O)CSC[N+](C)(C)C 62a_200000036245_200011215008 [0,2,0,0,0,0|2,0,0]=4 16633 B12R0.104 CCCOC(=O)CSC[N+](C)(C)C 62a_200011215008_200000036245 [0,2,0,0,0,0|2,0,0]=4 16634 B12R0.104 CCCOC(=O)CSC[Si](C)(C)C 62a_100000037933_200011215008 [0,2,0,0,0,0|1,1,0]=4 16635 B12R0.104 CCCOC(=O)CSC[Si](C)(C)C 62a_200011215008_100000037933 [0,2,0,0,0,0|1,1,0]=4 16636 B12R0.104 CCCOC(=O)OCOC(C)(C)C 34a_100015890283_200000139673 [0,2,0,0,0,0|2,0,0]=4 16637 B12R0.104 CCCOC(=O)OCOC(C)(C)C 7a_100015890283_200000139673 [0,2,0,0,0,0|2,0,0]=4 16638 B12R0.104 CCCOC(=O)OCSC(C)(C)C 62a_100000211941_200000139673 [0,2,0,0,0,0|2,0,0]=4 16639 B12R0.240 CC(C)CCCC(=O)C[C@@H](C)CO 1458a_100011216857_100000059175 [0,2,0,0,0,0|2,0,0]=4 16640 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 11a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 16641 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 1626a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 16642 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 240690a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 16643 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CF 527a_100102880703_100011216857 [0,2,0,0,0,0|2,0,0]=4 16644 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 240690a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 16645 B12R0.240 CC(C)CCCC(=O)N[C@H](C)CO 527a_100000737577_100011216857 [0,2,0,0,0,0|2,0,0]=4 16646 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CF 1626a_100102880703_100000761597 [0,2,0,0,0,0|2,0,0]=4 16647 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CF 527a_100102880703_100000761597 [0,2,0,0,0,0|2,0,0]=4 16648 B12R0.240 CC(O)CCCC(=O)N[C@H](C)CO 527a_100000737577_100000761597 [0,2,0,0,0,0|2,0,0]=4 16649 B12R0.240 CCC(=CC(=O)CCCC(C)C)C 1458a_100020758463_100011214892 [0,2,0,0,0,0|1,0,1]=4 16650 B12R0.240 CCC(=CC(=O)CCCC(C)O)C 1458a_100020758463_200000718107 [0,2,0,0,0,0|1,0,1]=4 16651 B12R0.240 CCC(=O)CC(=O)CCCC(C)C 1458a_100011216857_100000747405 [0,2,0,0,0,0|1,0,1]=4 16652 B12R0.240 CCC(C)CC(=O)CCCC(=O)C 1458a_100000708755_100011215641 [0,2,0,0,0,0|1,0,1]=4 16653 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100000708755_100011214892 [0,2,0,0,0,0|1,0,0]=3 16654 B12R0.240 CCC(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748023 [0,2,0,0,0,0|1,0,0]=3 16655 B12R0.240 CCC(C)CC(=O)CCCC(C)O 1458a_100000708755_200000718107 [0,2,0,0,0,0|1,0,0]=3 16656 B12R0.240 CCC(C)CC(=O)CCCN(C)C 1458a_100000708755_100000695564 [0,2,0,0,0,0|2,0,0]=4 16657 B12R0.240 CCC(C)CC(=O)CCOC(C)C 1458a_100000708755_100000211751 [0,2,0,0,0,0|2,0,0]=4 16658 B12R0.240 CCC(C)CC(=O)CCSC(C)C 1458a_100000708755_100000730970 [0,2,0,0,0,0|2,0,0]=4 16659 B12R0.240 CCC(C)CC(=O)COCC(C)C 1458a_100011223364_100000748023 [0,2,0,0,0,0|2,0,0]=4 16660 B12R0.240 CCC(C)CC(=O)NCCC(C)C 11a_100000210545_100000708755 [0,2,0,0,0,0|2,0,0]=4 16661 B12R0.240 CCC(C)CC(=O)NCCC(C)C 1626a_100000210545_100000708755 [0,2,0,0,0,0|2,0,0]=4 16662 B12R0.240 CCC(C)CC(=O)NCCC(C)C 240690a_100000210545_100000708755 [0,2,0,0,0,0|2,0,0]=4 16663 B12R0.240 CCC(C)CC(=O)NCCC(C)C 527a_100000210545_100000708755 [0,2,0,0,0,0|2,0,0]=4 16664 B12R0.240 CCC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000708755 [0,2,0,0,0,0|2,0,0]=4 16665 B12R0.240 CCC(C)CC(=O)NCCC(C)O 527a_200000755665_100000708755 [0,2,0,0,0,0|2,0,0]=4 16666 B12R0.240 CCC(C)NC(=O)CCCC(C)C 11a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 16667 B12R0.240 CCC(C)NC(=O)CCCC(C)C 1626a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 16668 B12R0.240 CCC(C)NC(=O)CCCC(C)C 240690a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 16669 B12R0.240 CCC(C)NC(=O)CCCC(C)C 527a_100000209981_100011216857 [0,2,0,0,0,0|1,0,0]=3 16670 B12R0.240 CCC(C)NC(=O)CCCC(C)O 1626a_100000209981_100000761597 [0,2,0,0,0,0|1,0,0]=3 16671 B12R0.240 CCC(C)NC(=O)CCCC(C)O 527a_100000209981_100000761597 [0,2,0,0,0,0|1,0,0]=3 16672 B12R0.240 CCC(C)NC(=O)CCCN(C)C 11a_100000209981_100000740757 [0,2,0,0,0,0|2,0,0]=4 16673 B12R0.240 CCC(C)NC(=O)CCCN(C)C 240690a_100000209981_100000740757 [0,2,0,0,0,0|2,0,0]=4 16674 B12R0.240 CCC(C)NC(=O)CNCC(C)C 2230a_100000210953_100000182745 [0,2,0,0,0,0|2,0,0]=4 16675 B12R0.240 CCC(C)NC(=O)CNCC(C)C 34a_100000210953_100000182745 [0,2,0,0,0,0|2,0,0]=4 16676 B12R0.240 CCC(C)NC(=O)CNCC(C)O 2230a_100000210904_100000182745 [0,2,0,0,0,0|2,0,0]=4 16677 B12R0.240 CCC(C)NC(=O)CNCC(C)O 34a_100000210904_100000182745 [0,2,0,0,0,0|2,0,0]=4 16678 B12R0.240 CCC(C)NC(=O)COCC(C)Br 34a_100012180447_100000182745 [0,2,0,0,0,0|2,0,0]=4 16679 B12R0.240 CCC(C)NC(=O)COCC(C)C 11a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 16680 B12R0.240 CCC(C)NC(=O)COCC(C)C 1626a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 16681 B12R0.240 CCC(C)NC(=O)COCC(C)C 240690a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 16682 B12R0.240 CCC(C)NC(=O)COCC(C)C 34a_100000210257_100000182745 [0,2,0,0,0,0|2,0,0]=4 16683 B12R0.240 CCC(C)NC(=O)COCC(C)C 527a_100000209981_100011223364 [0,2,0,0,0,0|2,0,0]=4 16684 B12R0.240 CCC(C)NC(=O)COCC(C)F 34a_100015925927_100000182745 [0,2,0,0,0,0|2,0,0]=4 16685 B12R0.240 CCC(C)NC(=O)COC[C@@H](C)Cl 34a_100016084084_100000182745 [0,2,0,0,0,0|2,0,0]=4 16686 B12R0.240 CCC(C)NC(=O)COC[C@@H](C)N 34a_100000737577_100000182745 [0,2,0,0,0,0|2,0,0]=4 16687 B12R0.240 CCC(C)NC(=O)CSCC(C)C 62a_100000182745_100000210760 [0,2,0,0,0,0|2,0,0]=4 16688 B12R0.240 CCC(C)NC(=O)CSCC(C)C 62a_100000210624_100000182745 [0,2,0,0,0,0|2,0,0]=4 16689 B12R0.240 CCC(C)NC(=O)CSCC(C)O 62a_100000182745_100011218427 [0,2,0,0,0,0|2,0,0]=4 16690 B12R0.240 CCC(C)NC(=O)CSCC(C)O 62a_100011218427_100000182745 [0,2,0,0,0,0|2,0,0]=4 16691 B12R0.240 CCC(C)NC(=O)CSC[C@@H](C)O 62a_100000182745_100009817552 [0,2,0,0,0,0|2,0,0]=4 16692 B12R0.240 CCC(C)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000182745 [0,2,0,0,0,0|2,0,0]=4 16693 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 16694 B12R0.240 CCC(C)NC(=O)NCCC(C)C 2708a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 16695 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 16696 B12R0.240 CCC(C)NC(=O)NCCC(C)C 273464a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 16697 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000209981_100000210545 [0,2,0,0,0,0|2,0,0]=4 16698 B12R0.240 CCC(C)NC(=O)NCCC(C)C 512a_100000210545_100000209981 [0,2,0,0,0,0|2,0,0]=4 16699 B12R0.240 CCC(C)NC(=O)NCCC(C)O 2708a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 16700 B12R0.240 CCC(C)NC(=O)NCCC(C)O 273464a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 16701 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_100000209981_200000755665 [0,2,0,0,0,0|2,0,0]=4 16702 B12R0.240 CCC(C)NC(=O)NCCC(C)O 512a_200000755665_100000209981 [0,2,0,0,0,0|2,0,0]=4 16703 B12R0.240 CCC(C)OC(C)CCCC(C)C 34a_200011218570_100011215416 [0,2,0,0,0,0|1,0,1]=4 16704 B12R0.240 CCC(C)OC(C)CCCC(C)C 7a_200011218570_100000758301 [0,2,0,0,0,0|1,0,1]=4 16705 B12R0.240 CCC(O)CC(=O)CCCC(=O)C 1458a_100011667805_100011215641 [0,2,0,0,0,0|1,0,1]=4 16706 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011216857_100011218378 [0,2,0,0,0,0|1,0,0]=3 16707 B12R0.240 CCC(O)CC(=O)CCCC(C)C 1458a_100011667805_100011214892 [0,2,0,0,0,0|1,0,0]=3 16708 B12R0.240 CCC(O)CC(=O)CCCC(C)O 1458a_100011667805_200000718107 [0,2,0,0,0,0|1,0,0]=3 16709 B12R0.240 CCC(O)CC(=O)CCCN(C)C 1458a_100011667805_100000695564 [0,2,0,0,0,0|2,0,0]=4 16710 B12R0.240 CCC(O)CC(=O)CCOC(C)C 1458a_100011667805_100000211751 [0,2,0,0,0,0|2,0,0]=4 16711 B12R0.240 CCC(O)CC(=O)CCSC(C)C 1458a_100011667805_100000730970 [0,2,0,0,0,0|2,0,0]=4 16712 B12R0.240 CCC(O)CC(=O)COCC(C)C 1458a_100011223364_100011218378 [0,2,0,0,0,0|2,0,0]=4 16713 B12R0.240 CCC(O)CC(=O)NCCC(C)C 1626a_100000210545_100011667805 [0,2,0,0,0,0|2,0,0]=4 16714 B12R0.240 CCC(O)CC(=O)NCCC(C)C 240690a_100000210545_100011667805 [0,2,0,0,0,0|2,0,0]=4 16715 B12R0.240 CCC(O)CC(=O)NCCC(C)O 240690a_200000755665_100011667805 [0,2,0,0,0,0|2,0,0]=4 16716 B12R0.240 CCN(C)CC(=O)CCCC(C)C 1458a_100116209913_100011214892 [0,2,0,0,0,0|2,0,0]=4 16717 B12R0.240 CCN(C)CC(=O)CCCC(C)O 1458a_100116209913_200000718107 [0,2,0,0,0,0|2,0,0]=4 16718 B12R0.240 CC[C@H](C)CC(=O)CCCC(C)C 1458a_100011216857_100009816398 [0,2,0,0,0,0|1,0,0]=3 16719 B12R0.240 CC[C@H](C)CC(=O)COCC(C)C 1458a_100011223364_100009816398 [0,2,0,0,0,0|2,0,0]=4 16720 B12R0.331 CCCOC(C)(C)CCCC(C)C 7a_100011215742_100000210303 [0,2,0,0,0,0|1,0,1]=4 16721 B12R0.118 C=CCC(CCCCC)OCCC 34a_200011216309_100000210303 [0,2,0,0,0,0|1,0,1]=4 16722 B12R0.118 C=CCC(CCCCC)OCCC 7a_200011216309_100000210303 [0,2,0,0,0,0|1,0,1]=4 16723 B12R0.118 CCCCCC(CCC)OCCC 34a_200011215058_100000210303 [0,2,0,0,0,0|1,0,1]=4 16724 B12R0.118 CCCCCC(CCC)OCCC 7a_200011215058_100000210303 [0,2,0,0,0,0|1,0,1]=4 16725 B12R0.126 C#CC(CCCCC)OC(C)CC 34a_100011216489_100011215416 [0,2,0,0,0,0|1,0,1]=4 16726 B12R0.126 C#CC(CCCCC)OC(C)CC 7a_100011216489_100000758301 [0,2,0,0,0,0|1,0,1]=4 16727 B12R0.126 C=CC(CCCCC)OC(C)CC 34a_100011216863_100011215416 [0,2,0,0,0,0|1,0,1]=4 16728 B12R0.126 C=CC(CCCCC)OC(C)CC 7a_100011216863_100000758301 [0,2,0,0,0,0|1,0,1]=4 16729 B12R0.126 CCCCCC(CC)OC(C)CC 34a_100011215405_100011215416 [0,2,0,0,0,0|1,0,1]=4 16730 B12R0.126 CCCCCC(CC)OC(C)CC 7a_100011215405_100000758301 [0,2,0,0,0,0|1,0,1]=4 16731 B12R0.244 CCCCCC(OCCC)C(C)C 34a_200011216997_100000210303 [0,2,0,0,0,0|1,0,1]=4 16732 B12R0.244 CCCCCC(OCCC)C(C)C 7a_200011216997_100000210303 [0,2,0,0,0,0|1,0,1]=4 16733 B12R0.110 CCC(C)N(C)C(=O)CCCCO 1626a_100000741768_100000695505 [0,2,0,0,0,0|2,0,0]=4 16734 B12R0.110 CCC(C)N(C)C(=O)CCCOC 11a_100000741768_100000741012 [0,2,0,0,0,0|2,0,0]=4 16735 B12R0.110 CCC(C)N(C)C(=O)CCCOC 1626a_100000741768_100000741012 [0,2,0,0,0,0|2,0,0]=4 16736 B12R0.110 CCC(C)N(C)C(=O)CCCOC 240690a_100000741768_100000741012 [0,2,0,0,0,0|2,0,0]=4 16737 B12R0.110 CCC(C)N(C)C(=O)CCCOC 527a_100000741768_100000741012 [0,2,0,0,0,0|2,0,0]=4 16738 B12R0.110 CCC(C)N(C)C(=O)CCCSC 11a_100000741768_100000173376 [0,2,0,0,0,0|2,0,0]=4 16739 B12R0.110 CCC(C)N(C)C(=O)CCCSC 1626a_100000741768_100000173376 [0,2,0,0,0,0|2,0,0]=4 16740 B12R0.110 CCC(C)N(C)C(=O)CCCSC 240690a_100000741768_100000173376 [0,2,0,0,0,0|2,0,0]=4 16741 B12R0.110 CCC(C)N(C)C(=O)CCCSC 527a_100000741768_100000173376 [0,2,0,0,0,0|2,0,0]=4 16742 B12R0.110 CCCCCC(=O)C(C)C(=O)CC 1458a_100000212188_100000742827 [0,2,0,0,0,0|1,0,1]=4 16743 B12R0.110 CCCCCC(=O)C(C)N(C)CC 1458a_100011281945_100000210326 [0,2,0,0,0,0|2,0,0]=4 16744 B12R0.110 CCCCCC(=O)N(C)C(C)CC 11a_100000741768_100000212188 [0,2,0,0,0,0|1,0,0]=3 16745 B12R0.110 CCCCCC(=O)N(C)C(C)CC 1626a_100000741768_100000212188 [0,2,0,0,0,0|1,0,0]=3 16746 B12R0.110 CCCCCC(=O)N(C)C(C)CC 240690a_100000741768_100000212188 [0,2,0,0,0,0|1,0,0]=3 16747 B12R0.110 CCCCCC(=O)N(C)C(C)CC 527a_100000741768_100000212188 [0,2,0,0,0,0|1,0,0]=3 16748 B12R0.110 CCCCCC(=O)N(C)C(C)CO 240690a_100000693034_100000212188 [0,2,0,0,0,0|2,0,0]=4 16749 B12R0.110 CCCCCC(=O)N(C)C(C)CO 527a_100000693034_100000212188 [0,2,0,0,0,0|2,0,0]=4 16750 B12R0.110 CCCCCC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_100000210326 [0,2,0,0,0,0|2,0,0]=4 16751 B12R0.110 CCCCNC(=O)N(C)C(C)CC 2708a_100000102301_100000741768 [0,2,0,0,0,0|2,0,0]=4 16752 B12R0.110 CCCCNC(=O)N(C)C(C)CC 273464a_100000102301_100000741768 [0,2,0,0,0,0|2,0,0]=4 16753 B12R0.110 CCCOCC(=O)N(C)C(C)CC 11a_100000741768_100000745993 [0,2,0,0,0,0|2,0,0]=4 16754 B12R0.110 CCCOCC(=O)N(C)C(C)CC 1626a_100000741768_100000745993 [0,2,0,0,0,0|2,0,0]=4 16755 B12R0.110 CCCOCC(=O)N(C)C(C)CC 240690a_100000741768_100000745993 [0,2,0,0,0,0|2,0,0]=4 16756 B12R0.110 CCCOCC(=O)N(C)C(C)CC 527a_100000741768_100000745993 [0,2,0,0,0,0|2,0,0]=4 16757 B12R0.110 CCCSCC(=O)N(C)C(C)CC 11a_100000741768_100000217233 [0,2,0,0,0,0|2,0,0]=4 16758 B12R0.110 CCCSCC(=O)N(C)C(C)CC 1626a_100000741768_100000217233 [0,2,0,0,0,0|2,0,0]=4 16759 B12R0.110 CCCSCC(=O)N(C)C(C)CC 240690a_100000741768_100000217233 [0,2,0,0,0,0|2,0,0]=4 16760 B12R0.110 CCCSCC(=O)N(C)C(C)CC 527a_100000741768_100000217233 [0,2,0,0,0,0|2,0,0]=4 16761 B12R0.110 CCOCCC(=O)N(C)C(C)CC 11a_100000741768_100000749530 [0,2,0,0,0,0|2,0,0]=4 16762 B12R0.110 CCOCCC(=O)N(C)C(C)CC 1626a_100000741768_100000749530 [0,2,0,0,0,0|2,0,0]=4 16763 B12R0.110 CCOCCC(=O)N(C)C(C)CC 240690a_100000741768_100000749530 [0,2,0,0,0,0|2,0,0]=4 16764 B12R0.110 CCOCCC(=O)N(C)C(C)CC 527a_100000741768_100000749530 [0,2,0,0,0,0|2,0,0]=4 16765 B12R0.110 CCSCCC(=O)N(C)C(C)CC 11a_100000741768_100000230768 [0,2,0,0,0,0|2,0,0]=4 16766 B12R0.110 CCSCCC(=O)N(C)C(C)CC 1626a_100000741768_100000230768 [0,2,0,0,0,0|2,0,0]=4 16767 B12R0.110 CCSCCC(=O)N(C)C(C)CC 240690a_100000741768_100000230768 [0,2,0,0,0,0|2,0,0]=4 16768 B12R0.110 CCSCCC(=O)N(C)C(C)CC 527a_100000741768_100000230768 [0,2,0,0,0,0|2,0,0]=4 16769 B12R0.144 C#CC(CC)OC(C)CCCCC 34a_100000758843_200011218191 [0,2,0,0,0,0|1,0,1]=4 16770 B12R0.144 C#CC(CC)OC(C)CCCCC 7a_100000758843_200011218191 [0,2,0,0,0,0|1,0,1]=4 16771 B12R0.144 C=CC(CC)OC(C)CCCCC 34a_100000766422_200011218191 [0,2,0,0,0,0|1,0,1]=4 16772 B12R0.144 C=CC(CC)OC(C)CCCCC 7a_100000766422_200011218191 [0,2,0,0,0,0|1,0,1]=4 16773 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 240690a_100016989147_100000212188 [0,2,0,0,0,0|2,0,0]=4 16774 B12R0.144 C=C[C@@H](CO)NC(=O)CCCCC 527a_100016989147_100000212188 [0,2,0,0,0,0|2,0,0]=4 16775 B12R0.144 CCC(CC)CC(=O)CCCCO 1458a_100000695505_100011215472 [0,2,0,0,0,0|2,0,0]=4 16776 B12R0.144 CCC(CC)CC(=O)CCCOC 1458a_100000741012_100011215472 [0,2,0,0,0,0|2,0,0]=4 16777 B12R0.144 CCC(CC)CC(=O)CCCSC 1458a_100000173376_100011215472 [0,2,0,0,0,0|2,0,0]=4 16778 B12R0.144 CCC(CC)NC(=O)CCCCO 1626a_100000199018_100000695505 [0,2,0,0,0,0|2,0,0]=4 16779 B12R0.144 CCC(CC)NC(=O)CCCOC 11a_100000199018_100000741012 [0,2,0,0,0,0|2,0,0]=4 16780 B12R0.144 CCC(CC)NC(=O)CCCOC 1626a_100000199018_100000741012 [0,2,0,0,0,0|2,0,0]=4 16781 B12R0.144 CCC(CC)NC(=O)CCCOC 240690a_100000199018_100000741012 [0,2,0,0,0,0|2,0,0]=4 16782 B12R0.144 CCC(CC)NC(=O)CCCOC 527a_100000199018_100000741012 [0,2,0,0,0,0|2,0,0]=4 16783 B12R0.144 CCC(CC)NC(=O)CCCSC 11a_100000199018_100000173376 [0,2,0,0,0,0|2,0,0]=4 16784 B12R0.144 CCC(CC)NC(=O)CCCSC 1626a_100000199018_100000173376 [0,2,0,0,0,0|2,0,0]=4 16785 B12R0.144 CCC(CC)NC(=O)CCCSC 240690a_100000199018_100000173376 [0,2,0,0,0,0|2,0,0]=4 16786 B12R0.144 CCC(CC)NC(=O)CCCSC 527a_100000199018_100000173376 [0,2,0,0,0,0|2,0,0]=4 16787 B12R0.144 CCCCCC(=O)CC(CC)CC 1458a_100000212188_100011215472 [0,2,0,0,0,0|1,0,0]=3 16788 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000082724_100000210326 [0,2,0,0,0,0|2,0,0]=4 16789 B12R0.144 CCCCCC(=O)CC(OC)OC 1458a_100000212188_100000751394 [0,2,0,0,0,0|2,0,0]=4 16790 B12R0.144 CCCCCC(=O)CN(CC)CC 1458a_100000758533_100000210326 [0,2,0,0,0,0|2,0,0]=4 16791 B12R0.144 CCCCCC(=O)CN(CC)CC 2230a_100000724800_200012276598 [0,2,0,0,0,0|2,0,0]=4 16792 B12R0.144 CCCCCC(=O)CN(CC)CC 269956a_100000042499_200012276598 [0,2,0,0,0,0|2,0,0]=4 16793 B12R0.144 CCCCCC(=O)CN(CC)CC 269982a_100000724800_200012276598 [0,2,0,0,0,0|2,0,0]=4 16794 B12R0.144 CCCCCC(=O)NC(CC)CC 11a_100000199018_100000212188 [0,2,0,0,0,0|1,0,0]=3 16795 B12R0.144 CCCCCC(=O)NC(CC)CC 1626a_100000199018_100000212188 [0,2,0,0,0,0|1,0,0]=3 16796 B12R0.144 CCCCCC(=O)NC(CC)CC 240690a_100000199018_100000212188 [0,2,0,0,0,0|1,0,0]=3 16797 B12R0.144 CCCCCC(=O)NC(CC)CC 527a_100000199018_100000212188 [0,2,0,0,0,0|1,0,0]=3 16798 B12R0.144 CCCCCC(=O)NC(CO)CO 240690a_100000759517_100000212188 [0,2,0,0,0,0|2,0,0]=4 16799 B12R0.144 CCCCCC(=O)NC(CO)CO 527a_100000759517_100000212188 [0,2,0,0,0,0|2,0,0]=4 16800 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000212188 [0,2,0,0,0,0|1,0,0]=3 16801 B12R0.144 CCCCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000212188 [0,2,0,0,0,0|1,0,0]=3 16802 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100000688536_200011218191 [0,2,0,0,0,0|1,0,1]=4 16803 B12R0.144 CCCCCC(C)OC(CC)CC 7a_100011215632_100000210505 [0,2,0,0,0,0|1,0,1]=4 16804 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 16805 B12R0.144 CCCCNC(=O)NC(CC)CC 2708a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 16806 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 16807 B12R0.144 CCCCNC(=O)NC(CC)CC 273464a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 16808 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000102301_100000199018 [0,2,0,0,0,0|2,0,0]=4 16809 B12R0.144 CCCCNC(=O)NC(CC)CC 512a_100000199018_100000102301 [0,2,0,0,0,0|2,0,0]=4 16810 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 2708a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 16811 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 273464a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 16812 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 273464a_100000709445_100000102301 [0,2,0,0,0,0|2,0,0]=4 16813 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 512a_100000102301_100000709445 [0,2,0,0,0,0|2,0,0]=4 16814 B12R0.144 CCCCNC(=O)N[C@@H](CC)CO 512a_100000709445_100000102301 [0,2,0,0,0,0|2,0,0]=4 16815 B12R0.144 CCCOCC(=O)CC(CC)CC 1458a_100000745993_100011215472 [0,2,0,0,0,0|2,0,0]=4 16816 B12R0.144 CCCOCC(=O)NC(CC)CC 11a_100000199018_100000745993 [0,2,0,0,0,0|2,0,0]=4 16817 B12R0.144 CCCOCC(=O)NC(CC)CC 1626a_100000199018_100000745993 [0,2,0,0,0,0|2,0,0]=4 16818 B12R0.144 CCCOCC(=O)NC(CC)CC 240690a_100000199018_100000745993 [0,2,0,0,0,0|2,0,0]=4 16819 B12R0.144 CCCOCC(=O)NC(CC)CC 527a_100000199018_100000745993 [0,2,0,0,0,0|2,0,0]=4 16820 B12R0.144 CCCOCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000745993 [0,2,0,0,0,0|2,0,0]=4 16821 B12R0.144 CCCOCC(=O)N[C@@H](CC)CO 527a_100000709445_100000745993 [0,2,0,0,0,0|2,0,0]=4 16822 B12R0.144 CCCSCC(=O)CC(CC)CC 1458a_100000217233_100011215472 [0,2,0,0,0,0|2,0,0]=4 16823 B12R0.144 CCCSCC(=O)NC(CC)CC 11a_100000199018_100000217233 [0,2,0,0,0,0|2,0,0]=4 16824 B12R0.144 CCCSCC(=O)NC(CC)CC 1626a_100000199018_100000217233 [0,2,0,0,0,0|2,0,0]=4 16825 B12R0.144 CCCSCC(=O)NC(CC)CC 240690a_100000199018_100000217233 [0,2,0,0,0,0|2,0,0]=4 16826 B12R0.144 CCCSCC(=O)NC(CC)CC 527a_100000199018_100000217233 [0,2,0,0,0,0|2,0,0]=4 16827 B12R0.144 CCCSCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000217233 [0,2,0,0,0,0|2,0,0]=4 16828 B12R0.144 CCCSCC(=O)N[C@@H](CC)CO 527a_100000709445_100000217233 [0,2,0,0,0,0|2,0,0]=4 16829 B12R0.144 CCOCCC(=O)CC(CC)CC 1458a_100000749530_100011215472 [0,2,0,0,0,0|2,0,0]=4 16830 B12R0.144 CCOCCC(=O)NC(CC)CC 11a_100000199018_100000749530 [0,2,0,0,0,0|2,0,0]=4 16831 B12R0.144 CCOCCC(=O)NC(CC)CC 1626a_100000199018_100000749530 [0,2,0,0,0,0|2,0,0]=4 16832 B12R0.144 CCOCCC(=O)NC(CC)CC 240690a_100000199018_100000749530 [0,2,0,0,0,0|2,0,0]=4 16833 B12R0.144 CCOCCC(=O)NC(CC)CC 527a_100000199018_100000749530 [0,2,0,0,0,0|2,0,0]=4 16834 B12R0.144 CCOCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000749530 [0,2,0,0,0,0|2,0,0]=4 16835 B12R0.144 CCOCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000749530 [0,2,0,0,0,0|2,0,0]=4 16836 B12R0.144 CCSCCC(=O)CC(CC)CC 1458a_100000230768_100011215472 [0,2,0,0,0,0|2,0,0]=4 16837 B12R0.144 CCSCCC(=O)NC(CC)CC 11a_100000199018_100000230768 [0,2,0,0,0,0|2,0,0]=4 16838 B12R0.144 CCSCCC(=O)NC(CC)CC 1626a_100000199018_100000230768 [0,2,0,0,0,0|2,0,0]=4 16839 B12R0.144 CCSCCC(=O)NC(CC)CC 240690a_100000199018_100000230768 [0,2,0,0,0,0|2,0,0]=4 16840 B12R0.144 CCSCCC(=O)NC(CC)CC 527a_100000199018_100000230768 [0,2,0,0,0,0|2,0,0]=4 16841 B12R0.144 CCSCCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000230768 [0,2,0,0,0,0|2,0,0]=4 16842 B12R0.144 CCSCCC(=O)N[C@@H](CC)CO 527a_100000709445_100000230768 [0,2,0,0,0,0|2,0,0]=4 16843 B12R0.144 CC[C@@H](CO)NC(=O)CCCOC 240690a_100000709445_100000741012 [0,2,0,0,0,0|2,0,0]=4 16844 B12R0.144 CC[C@@H](CO)NC(=O)CCCOC 527a_100000709445_100000741012 [0,2,0,0,0,0|2,0,0]=4 16845 B12R0.144 CC[C@@H](CO)NC(=O)CCCSC 240690a_100000709445_100000173376 [0,2,0,0,0,0|2,0,0]=4 16846 B12R0.144 CC[C@@H](CO)NC(=O)CCCSC 527a_100000709445_100000173376 [0,2,0,0,0,0|2,0,0]=4 16847 B12R0.318 CCC(C)(C)CC(=O)CCCCF 1458a_200000763500_100000729493 [0,2,0,0,0,0|2,0,0]=4 16848 B12R0.318 CCC(C)(C)CC(=O)CCCCO 1458a_200000763500_100000210776 [0,2,0,0,0,0|2,0,0]=4 16849 B12R0.318 CCC(C)(C)CC(=O)CCCOC 1458a_200000763500_100000740836 [0,2,0,0,0,0|2,0,0]=4 16850 B12R0.318 CCC(C)(C)NC(=O)CCCCO 1626a_100000211385_100000695505 [0,2,0,0,0,0|2,0,0]=4 16851 B12R0.318 CCC(C)(C)NC(=O)CCCOC 11a_100000211385_100000741012 [0,2,0,0,0,0|2,0,0]=4 16852 B12R0.318 CCC(C)(C)NC(=O)CCCOC 1626a_100000211385_100000741012 [0,2,0,0,0,0|2,0,0]=4 16853 B12R0.318 CCC(C)(C)NC(=O)CCCOC 240690a_100000211385_100000741012 [0,2,0,0,0,0|2,0,0]=4 16854 B12R0.318 CCC(C)(C)NC(=O)CCCOC 527a_100000211385_100000741012 [0,2,0,0,0,0|2,0,0]=4 16855 B12R0.318 CCC(C)(C)NC(=O)CCCSC 11a_100000211385_100000173376 [0,2,0,0,0,0|2,0,0]=4 16856 B12R0.318 CCC(C)(C)NC(=O)CCCSC 1626a_100000211385_100000173376 [0,2,0,0,0,0|2,0,0]=4 16857 B12R0.318 CCC(C)(C)NC(=O)CCCSC 240690a_100000211385_100000173376 [0,2,0,0,0,0|2,0,0]=4 16858 B12R0.318 CCC(C)(C)NC(=O)CCCSC 527a_100000211385_100000173376 [0,2,0,0,0,0|2,0,0]=4 16859 B12R0.318 CCC(C)(O)CC(=O)CCCCF 1458a_200011219800_100000729493 [0,2,0,0,0,0|2,0,0]=4 16860 B12R0.318 CCC(C)(O)CC(=O)CCCCO 1458a_200011219800_100000210776 [0,2,0,0,0,0|2,0,0]=4 16861 B12R0.318 CCC(C)(O)CC(=O)CCCOC 1458a_200011219800_100000740836 [0,2,0,0,0,0|2,0,0]=4 16862 B12R0.318 CCCCCC(=O)CC(C)(C)CC 1458a_200000763500_100000210326 [0,2,0,0,0,0|1,0,0]=3 16863 B12R0.318 CCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100000210326 [0,2,0,0,0,0|1,0,0]=3 16864 B12R0.318 CCCCCC(=O)CS(=O)(=O)CC 1458a_100000744335_100000210326 [0,2,0,0,0,0|2,0,0]=4 16865 B12R0.318 CCCCCC(=O)NC(C)(C)CC 11a_100000211385_100000212188 [0,2,0,0,0,0|1,0,0]=3 16866 B12R0.318 CCCCCC(=O)NC(C)(C)CC 1626a_100000211385_100000212188 [0,2,0,0,0,0|1,0,0]=3 16867 B12R0.318 CCCCCC(=O)NC(C)(C)CC 240690a_100000211385_100000212188 [0,2,0,0,0,0|1,0,0]=3 16868 B12R0.318 CCCCCC(=O)NC(C)(C)CC 527a_100000211385_100000212188 [0,2,0,0,0,0|1,0,0]=3 16869 B12R0.318 CCCCCC(=O)NC(C)(C)CO 240690a_100000210608_100000212188 [0,2,0,0,0,0|2,0,0]=4 16870 B12R0.318 CCCCCC(=O)NC(C)(C)CO 527a_100020618417_100000212188 [0,2,0,0,0,0|2,0,0]=4 16871 B12R0.318 CCCCCC(=O)NS(=O)(=O)CC 2740a_100000171174_100000212188 [0,2,0,0,0,0|2,0,0]=4 16872 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100000210230_200011218191 [0,2,0,0,0,0|1,0,1]=4 16873 B12R0.318 CCCCCC(C)OC(C)(C)CC 7a_100011215632_100000210677 [0,2,0,0,0,0|1,0,1]=4 16874 B12R0.318 CCCCNC(=O)CC(C)(C)CC 11a_100000102301_200000763500 [0,2,0,0,0,0|2,0,0]=4 16875 B12R0.318 CCCCNC(=O)CC(C)(C)CC 1626a_100000102301_200000763500 [0,2,0,0,0,0|2,0,0]=4 16876 B12R0.318 CCCCNC(=O)CC(C)(C)CC 240690a_100000102301_200000763500 [0,2,0,0,0,0|2,0,0]=4 16877 B12R0.318 CCCCNC(=O)CC(C)(C)CC 527a_100000102301_200000763500 [0,2,0,0,0,0|2,0,0]=4 16878 B12R0.318 CCCCNC(=O)CC(C)(O)CC 240690a_100000102301_200011219800 [0,2,0,0,0,0|2,0,0]=4 16879 B12R0.318 CCCCNC(=O)CC(C)(O)CC 527a_100000102301_200011219800 [0,2,0,0,0,0|2,0,0]=4 16880 B12R0.318 CCCCNC(=O)NC(C)(C)CC 2708a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 16881 B12R0.318 CCCCNC(=O)NC(C)(C)CC 273464a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 16882 B12R0.318 CCCCNC(=O)NC(C)(C)CC 273464a_100000211385_100000102301 [0,2,0,0,0,0|2,0,0]=4 16883 B12R0.318 CCCCNC(=O)NC(C)(C)CC 512a_100000102301_100000211385 [0,2,0,0,0,0|2,0,0]=4 16884 B12R0.318 CCCCNC(=O)NC(C)(C)CC 512a_100000211385_100000102301 [0,2,0,0,0,0|2,0,0]=4 16885 B12R0.318 CCCOCC(=O)NC(C)(C)CC 11a_100000211385_100000745993 [0,2,0,0,0,0|2,0,0]=4 16886 B12R0.318 CCCOCC(=O)NC(C)(C)CC 1626a_100000211385_100000745993 [0,2,0,0,0,0|2,0,0]=4 16887 B12R0.318 CCCOCC(=O)NC(C)(C)CC 240690a_100000211385_100000745993 [0,2,0,0,0,0|2,0,0]=4 16888 B12R0.318 CCCOCC(=O)NC(C)(C)CC 34a_100000210258_100000230344 [0,2,0,0,0,0|2,0,0]=4 16889 B12R0.318 CCCOCC(=O)NC(C)(C)CC 527a_100000211385_100000745993 [0,2,0,0,0,0|2,0,0]=4 16890 B12R0.318 CCCSCC(=O)NC(C)(C)CC 11a_100000211385_100000217233 [0,2,0,0,0,0|2,0,0]=4 16891 B12R0.318 CCCSCC(=O)NC(C)(C)CC 1626a_100000211385_100000217233 [0,2,0,0,0,0|2,0,0]=4 16892 B12R0.318 CCCSCC(=O)NC(C)(C)CC 240690a_100000211385_100000217233 [0,2,0,0,0,0|2,0,0]=4 16893 B12R0.318 CCCSCC(=O)NC(C)(C)CC 527a_100000211385_100000217233 [0,2,0,0,0,0|2,0,0]=4 16894 B12R0.318 CCCSCC(=O)NC(C)(C)CC 62a_100000210303_100000230344 [0,2,0,0,0,0|2,0,0]=4 16895 B12R0.318 CCCSCC(=O)NC(C)(C)CC 62a_100000230344_100000210303 [0,2,0,0,0,0|2,0,0]=4 16896 B12R0.318 CCOCCC(=O)CC(C)(C)CC 1458a_200000763500_100011215890 [0,2,0,0,0,0|2,0,0]=4 16897 B12R0.318 CCOCCC(=O)CC(C)(O)CC 1458a_200011219800_100011215890 [0,2,0,0,0,0|2,0,0]=4 16898 B12R0.318 CCOCCC(=O)NC(C)(C)CC 11a_100000211385_100000749530 [0,2,0,0,0,0|2,0,0]=4 16899 B12R0.318 CCOCCC(=O)NC(C)(C)CC 1626a_100000211385_100000749530 [0,2,0,0,0,0|2,0,0]=4 16900 B12R0.318 CCOCCC(=O)NC(C)(C)CC 240690a_100000211385_100000749530 [0,2,0,0,0,0|2,0,0]=4 16901 B12R0.318 CCOCCC(=O)NC(C)(C)CC 527a_100000211385_100000749530 [0,2,0,0,0,0|2,0,0]=4 16902 B12R0.318 CCSCCC(=O)CC(C)(C)CC 1458a_200000763500_100000757381 [0,2,0,0,0,0|2,0,0]=4 16903 B12R0.318 CCSCCC(=O)CC(C)(O)CC 1458a_200011219800_100000757381 [0,2,0,0,0,0|2,0,0]=4 16904 B12R0.318 CCSCCC(=O)NC(C)(C)CC 11a_100000211385_100000230768 [0,2,0,0,0,0|2,0,0]=4 16905 B12R0.318 CCSCCC(=O)NC(C)(C)CC 1626a_100000211385_100000230768 [0,2,0,0,0,0|2,0,0]=4 16906 B12R0.318 CCSCCC(=O)NC(C)(C)CC 240690a_100000211385_100000230768 [0,2,0,0,0,0|2,0,0]=4 16907 B12R0.318 CCSCCC(=O)NC(C)(C)CC 527a_100000211385_100000230768 [0,2,0,0,0,0|2,0,0]=4 16908 B12R0.657 CCCCCS(=O)(=O)NC(C)CC 270084a_100000209981_100000753860 [0,2,0,0,0,0|2,0,0]=4 16909 B12R0.657 CCCCCS(=O)(=O)NC(C)CC 274078a_100000209981_100000753860 [0,2,0,0,0,0|2,0,0]=4 16910 B12R0.109 CCCC(CC)C(=O)CCCCF 1458a_100011416436_100000729493 [0,2,0,0,0,0|2,0,0]=4 16911 B12R0.109 CCCC(CC)C(=O)CCCCO 1458a_100000695505_100011219200 [0,2,0,0,0,0|2,0,0]=4 16912 B12R0.109 CCCC(CC)C(=O)CCCCO 1458a_100011416436_100000210776 [0,2,0,0,0,0|2,0,0]=4 16913 B12R0.109 CCCC(CC)C(=O)CCCOC 1458a_100000741012_100011219200 [0,2,0,0,0,0|2,0,0]=4 16914 B12R0.109 CCCC(CC)C(=O)CCCOC 1458a_100011416436_100000740836 [0,2,0,0,0,0|2,0,0]=4 16915 B12R0.109 CCCC(CC)C(=O)CCCSC 1458a_100000173376_100011219200 [0,2,0,0,0,0|2,0,0]=4 16916 B12R0.109 CCCC(CC)C(=O)CCOCC 1458a_100000749530_100011219200 [0,2,0,0,0,0|2,0,0]=4 16917 B12R0.109 CCCC(CC)C(=O)CCOCC 1458a_100011416436_100011215890 [0,2,0,0,0,0|2,0,0]=4 16918 B12R0.109 CCCC(CC)C(=O)CCSCC 1458a_100000230768_100011219200 [0,2,0,0,0,0|2,0,0]=4 16919 B12R0.109 CCCC(CC)C(=O)CCSCC 1458a_100011416436_100000757381 [0,2,0,0,0,0|2,0,0]=4 16920 B12R0.109 CCCCCC(=O)C(CC)CCC 1458a_100000212188_100011219200 [0,2,0,0,0,0|1,0,0]=3 16921 B12R0.109 CCCCCC(=O)C(CC)CCC 1458a_100011416436_100000210326 [0,2,0,0,0,0|1,0,0]=3 16922 B12R0.109 CCCCCC(=O)N(CC)CCC 11a_100000226822_100000212188 [0,2,0,0,0,0|1,0,0]=3 16923 B12R0.109 CCCCCC(=O)N(CC)CCC 1626a_100000226822_100000212188 [0,2,0,0,0,0|1,0,0]=3 16924 B12R0.109 CCCCCC(=O)N(CC)CCC 240690a_100000226822_100000212188 [0,2,0,0,0,0|1,0,0]=3 16925 B12R0.109 CCCCCC(=O)N(CC)CCC 527a_100000226822_100000212188 [0,2,0,0,0,0|1,0,0]=3 16926 B12R0.109 CCCCCC(=O)N(CC)CCO 240690a_100000210973_100000212188 [0,2,0,0,0,0|2,0,0]=4 16927 B12R0.109 CCCCCC(=O)N(CC)CCO 527a_100000210973_100000212188 [0,2,0,0,0,0|2,0,0]=4 16928 B12R0.109 CCCCNC(=O)C(CC)CCC 11a_100000102301_100011416436 [0,2,0,0,0,0|2,0,0]=4 16929 B12R0.109 CCCCNC(=O)C(CC)CCC 1626a_100000102301_100011416436 [0,2,0,0,0,0|2,0,0]=4 16930 B12R0.109 CCCCNC(=O)C(CC)CCC 240690a_100000102301_100011416436 [0,2,0,0,0,0|2,0,0]=4 16931 B12R0.109 CCCCNC(=O)C(CC)CCC 527a_100000102301_100011416436 [0,2,0,0,0,0|2,0,0]=4 16932 B12R0.109 CCCCNC(=O)N(CC)CCC 2708a_100000102301_100000226822 [0,2,0,0,0,0|2,0,0]=4 16933 B12R0.109 CCCCNC(=O)N(CC)CCC 273464a_100000102301_100000226822 [0,2,0,0,0,0|2,0,0]=4 16934 B12R0.109 CCCN(CC)C(=O)CCCCO 1626a_100000226822_100000695505 [0,2,0,0,0,0|2,0,0]=4 16935 B12R0.109 CCCN(CC)C(=O)CCCOC 11a_100000226822_100000741012 [0,2,0,0,0,0|2,0,0]=4 16936 B12R0.109 CCCN(CC)C(=O)CCCOC 1626a_100000226822_100000741012 [0,2,0,0,0,0|2,0,0]=4 16937 B12R0.109 CCCN(CC)C(=O)CCCOC 240690a_100000226822_100000741012 [0,2,0,0,0,0|2,0,0]=4 16938 B12R0.109 CCCN(CC)C(=O)CCCOC 527a_100000226822_100000741012 [0,2,0,0,0,0|2,0,0]=4 16939 B12R0.109 CCCN(CC)C(=O)CCCSC 11a_100000226822_100000173376 [0,2,0,0,0,0|2,0,0]=4 16940 B12R0.109 CCCN(CC)C(=O)CCCSC 1626a_100000226822_100000173376 [0,2,0,0,0,0|2,0,0]=4 16941 B12R0.109 CCCN(CC)C(=O)CCCSC 240690a_100000226822_100000173376 [0,2,0,0,0,0|2,0,0]=4 16942 B12R0.109 CCCN(CC)C(=O)CCCSC 527a_100000226822_100000173376 [0,2,0,0,0,0|2,0,0]=4 16943 B12R0.109 CCCN(CC)C(=O)CCOCC 11a_100000226822_100000749530 [0,2,0,0,0,0|2,0,0]=4 16944 B12R0.109 CCCN(CC)C(=O)CCOCC 1626a_100000226822_100000749530 [0,2,0,0,0,0|2,0,0]=4 16945 B12R0.109 CCCN(CC)C(=O)CCOCC 240690a_100000226822_100000749530 [0,2,0,0,0,0|2,0,0]=4 16946 B12R0.109 CCCN(CC)C(=O)CCOCC 527a_100000226822_100000749530 [0,2,0,0,0,0|2,0,0]=4 16947 B12R0.109 CCCN(CC)C(=O)CCSCC 11a_100000226822_100000230768 [0,2,0,0,0,0|2,0,0]=4 16948 B12R0.109 CCCN(CC)C(=O)CCSCC 1626a_100000226822_100000230768 [0,2,0,0,0,0|2,0,0]=4 16949 B12R0.109 CCCN(CC)C(=O)CCSCC 240690a_100000226822_100000230768 [0,2,0,0,0,0|2,0,0]=4 16950 B12R0.109 CCCN(CC)C(=O)CCSCC 527a_100000226822_100000230768 [0,2,0,0,0,0|2,0,0]=4 16951 B12R0.109 CCCOCC(=O)C(CC)CCC 1458a_100000745993_100011219200 [0,2,0,0,0,0|2,0,0]=4 16952 B12R0.109 CCCOCC(=O)N(CC)CCC 11a_100000226822_100000745993 [0,2,0,0,0,0|2,0,0]=4 16953 B12R0.109 CCCOCC(=O)N(CC)CCC 1626a_100000226822_100000745993 [0,2,0,0,0,0|2,0,0]=4 16954 B12R0.109 CCCOCC(=O)N(CC)CCC 240690a_100000226822_100000745993 [0,2,0,0,0,0|2,0,0]=4 16955 B12R0.109 CCCOCC(=O)N(CC)CCC 527a_100000226822_100000745993 [0,2,0,0,0,0|2,0,0]=4 16956 B12R0.109 CCCSCC(=O)C(CC)CCC 1458a_100000217233_100011219200 [0,2,0,0,0,0|2,0,0]=4 16957 B12R0.109 CCCSCC(=O)N(CC)CCC 11a_100000226822_100000217233 [0,2,0,0,0,0|2,0,0]=4 16958 B12R0.109 CCCSCC(=O)N(CC)CCC 1626a_100000226822_100000217233 [0,2,0,0,0,0|2,0,0]=4 16959 B12R0.109 CCCSCC(=O)N(CC)CCC 240690a_100000226822_100000217233 [0,2,0,0,0,0|2,0,0]=4 16960 B12R0.109 CCCSCC(=O)N(CC)CCC 527a_100000226822_100000217233 [0,2,0,0,0,0|2,0,0]=4 16961 B12R0.294 CCCC(C)(C)C(=O)CCCCF 1458a_100011215034_100000729493 [0,2,0,0,0,0|2,0,0]=4 16962 B12R0.294 CCCC(C)(C)C(=O)CCCCO 1458a_100011215034_100000210776 [0,2,0,0,0,0|2,0,0]=4 16963 B12R0.294 CCCC(C)(C)C(=O)CCCOC 1458a_100011215034_100000740836 [0,2,0,0,0,0|2,0,0]=4 16964 B12R0.294 CCCC(C)(C)C(=O)CCOCC 1458a_100011215034_100011215890 [0,2,0,0,0,0|2,0,0]=4 16965 B12R0.294 CCCC(C)(C)C(=O)CCSCC 1458a_100011215034_100000757381 [0,2,0,0,0,0|2,0,0]=4 16966 B12R0.294 CCCCCC(=O)C(C)(C)CCC 1458a_100011215034_100000210326 [0,2,0,0,0,0|1,0,0]=3 16967 B12R0.294 CCCCCC(=O)C(C)(C)OCC 1458a_100011458965_100000210326 [0,2,0,0,0,0|2,0,0]=4 16968 B12R0.294 CCCCNC(=O)C(C)(C)CCC 11a_100000102301_100011215034 [0,2,0,0,0,0|2,0,0]=4 16969 B12R0.294 CCCCNC(=O)C(C)(C)CCC 1626a_100000102301_100011215034 [0,2,0,0,0,0|2,0,0]=4 16970 B12R0.294 CCCCNC(=O)C(C)(C)CCC 240690a_100000102301_100011215034 [0,2,0,0,0,0|2,0,0]=4 16971 B12R0.294 CCCCNC(=O)C(C)(C)CCC 527a_100000102301_100011215034 [0,2,0,0,0,0|2,0,0]=4 16972 B12R0.658 CCCCCS(=O)(=O)N(C)CCC 270084a_100000747261_100000753860 [0,2,0,0,0,0|2,0,0]=4 16973 B12R0.658 CCCCCS(=O)(=O)N(C)CCC 274078a_100000747261_100000753860 [0,2,0,0,0,0|2,0,0]=4 16974 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 16975 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 16976 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [1,0,0,1,0,0|2,0,0]=4 16977 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [1,0,0,1,0,0|2,0,0]=4 16978 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [1,0,0,1,0,0|1,0,0]=3 16979 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16980 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [1,0,0,1,0,0|2,0,0]=4 16981 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [1,0,0,1,0,0|1,0,0]=3 16982 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [1,0,0,1,0,0|1,0,1]=4 16983 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [1,0,0,1,0,0|2,0,0]=4 16984 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [1,0,0,1,0,0|2,0,0]=4 16985 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [1,0,0,1,0,0|2,0,0]=4 16986 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [1,0,0,1,0,0|2,0,0]=4 16987 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [1,0,0,1,0,0|2,0,0]=4 16988 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [1,0,0,1,0,0|2,0,0]=4 16989 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [1,0,0,1,0,0|2,0,0]=4 16990 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [1,0,0,1,0,0|2,0,0]=4 16991 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [1,0,0,1,0,0|2,0,0]=4 16992 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [1,0,0,1,0,0|2,0,0]=4 16993 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [1,0,0,1,0,0|0,0,2]=4 16994 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [1,0,0,1,0,0|0,0,2]=4 16995 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [1,0,0,1,0,0|0,0,2]=4 16996 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [1,0,0,1,0,0|0,0,2]=4 16997 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [1,0,0,1,0,0|0,0,2]=4 16998 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [1,0,0,1,0,0|0,0,2]=4 16999 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [1,0,0,1,0,0|0,0,2]=4 17000 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [1,0,0,1,0,0|0,0,2]=4 17001 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [1,0,0,1,0,0|0,0,0]=2 17002 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [1,0,0,1,0,0|0,0,0]=2 17003 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [1,0,0,1,0,0|1,0,0]=3 17004 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [1,0,0,1,0,0|1,0,0]=3 17005 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [1,0,0,1,0,0|1,0,0]=3 17006 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 17007 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [1,0,0,1,0,0|1,0,0]=3 17008 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 17009 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 17010 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [1,0,0,1,0,0|2,0,0]=4 17011 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [1,0,0,1,0,0|1,0,0]=3 17012 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 17013 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 17014 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 17015 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 17016 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 17017 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [1,0,0,1,0,0|2,0,0]=4 17018 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [1,0,0,1,0,0|2,0,0]=4 17019 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [1,0,0,1,0,0|2,0,0]=4 17020 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [1,0,0,1,0,0|2,0,0]=4 17021 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 17022 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 17023 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [1,0,0,1,0,0|2,0,0]=4 17024 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 17025 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 17026 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [1,0,0,1,0,0|1,0,0]=3 17027 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 17028 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 17029 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [1,0,0,1,0,0|2,0,0]=4 17030 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 17031 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 17032 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [1,0,0,1,0,0|2,0,0]=4 17033 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 17034 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [1,0,0,1,0,0|2,0,0]=4 17035 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 17036 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 17037 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [1,0,0,1,0,0|2,0,0]=4 17038 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 17039 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [1,0,0,1,0,0|1,0,1]=4 17040 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [1,0,0,1,0,0|2,0,0]=4 17041 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 17042 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [1,0,0,1,0,0|2,0,0]=4 17043 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [1,0,0,1,0,0|2,0,0]=4 17044 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [1,0,0,1,0,0|2,0,0]=4 17045 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [1,0,0,1,0,0|1,0,0]=3 17046 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [1,0,0,1,0,0|2,0,0]=4 17047 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 17048 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [1,0,0,1,0,0|2,0,0]=4 17049 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [1,0,0,1,0,0|2,0,0]=4 17050 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [1,0,0,1,0,0|2,0,0]=4 17051 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [1,0,0,1,0,0|1,0,0]=3 17052 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [1,0,0,1,0,0|2,0,0]=4 17053 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 17054 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [1,0,0,1,0,0|2,0,0]=4 17055 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [1,0,0,1,0,0|2,0,0]=4 17056 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [1,0,0,1,0,0|2,0,0]=4 17057 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [1,0,0,1,0,0|1,0,1]=4 17058 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [1,0,0,1,0,0|1,0,1]=4 17059 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [1,0,0,1,0,0|1,0,0]=3 17060 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [1,0,0,1,0,0|2,0,0]=4 17061 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [1,0,0,1,0,0|2,0,0]=4 17062 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [1,0,0,1,0,0|2,0,0]=4 17063 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [1,0,0,1,0,0|1,0,0]=3 17064 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [1,0,0,1,0,0|1,0,0]=3 17065 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [1,0,0,1,0,0|2,0,0]=4 17066 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [1,0,0,1,0,0|2,0,0]=4 17067 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [1,0,0,1,0,0|2,0,0]=4 17068 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [1,0,0,1,0,0|2,0,0]=4 17069 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [1,0,0,1,0,0|2,0,0]=4 17070 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [1,0,0,1,0,0|2,0,0]=4 17071 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [1,0,0,1,0,0|2,0,0]=4 17072 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [1,0,0,1,0,0|2,0,0]=4 17073 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [1,0,0,1,0,0|2,0,0]=4 17074 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [1,0,0,1,0,0|1,0,0]=3 17075 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 17076 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 17077 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [1,0,0,1,0,0|2,0,0]=4 17078 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [1,0,0,1,0,0|2,0,0]=4 17079 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [1,0,0,1,0,0|1,0,0]=3 17080 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [1,0,0,1,0,0|1,0,0]=3 17081 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [1,0,0,1,0,0|2,0,0]=4 17082 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [1,0,0,1,0,0|2,0,0]=4 17083 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 17084 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [1,0,0,1,0,0|2,0,0]=4 17085 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [1,0,0,1,0,0|1,0,0]=3 17086 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [1,0,0,1,0,0|1,0,0]=3 17087 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [1,0,0,1,0,0|2,0,0]=4 17088 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [1,0,0,1,0,0|2,0,0]=4 17089 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [1,0,0,1,0,0|2,0,0]=4 17090 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [1,0,0,1,0,0|2,0,0]=4 17091 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [1,0,0,1,0,0|2,0,0]=4 17092 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [1,0,0,1,0,0|2,0,0]=4 17093 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [1,0,0,1,0,0|2,0,0]=4 17094 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 17095 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [1,0,0,1,0,0|2,0,0]=4 17096 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [1,0,0,1,0,0|1,0,0]=3 17097 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [1,0,0,1,0,0|1,0,0]=3 17098 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [1,0,0,1,0,0|1,0,0]=3 17099 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [1,0,0,1,0,0|2,0,0]=4 17100 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [1,0,0,1,0,0|1,0,0]=3 17101 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [1,0,0,1,0,0|1,0,0]=3 17102 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [1,0,0,1,0,0|1,0,0]=3 17103 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [1,0,0,1,0,0|1,0,0]=3 17104 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [1,0,0,1,0,0|2,0,0]=4 17105 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [1,0,0,1,0,0|2,0,0]=4 17106 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [1,0,0,1,0,0|2,0,0]=4 17107 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [1,0,0,1,0,0|2,0,0]=4 17108 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 17109 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [1,0,0,1,0,0|2,0,0]=4 17110 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [1,0,0,1,0,0|2,0,0]=4 17111 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 17112 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [1,0,0,1,0,0|2,0,0]=4 17113 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [1,0,0,1,0,0|2,0,0]=4 17114 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [1,0,0,1,0,0|2,0,0]=4 17115 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [1,0,0,1,0,0|2,0,0]=4 17116 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [1,0,0,1,0,0|2,0,0]=4 17117 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [1,0,0,1,0,0|2,0,0]=4 17118 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [1,0,0,1,0,0|2,0,0]=4 17119 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [1,0,0,1,0,0|2,0,0]=4 17120 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [1,0,0,1,0,0|2,0,0]=4 17121 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [1,0,0,1,0,0|2,0,0]=4 17122 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [1,0,0,1,0,0|2,0,0]=4 17123 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [1,0,0,1,0,0|2,0,0]=4 17124 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [1,0,0,1,0,0|2,0,0]=4 17125 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [1,0,0,1,0,0|2,0,0]=4 17126 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [1,0,0,1,0,0|2,0,0]=4 17127 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [1,0,0,1,0,0|2,0,0]=4 17128 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [1,0,0,1,0,0|2,0,0]=4 17129 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [1,0,0,1,0,0|2,0,0]=4 17130 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [1,0,0,1,0,0|2,0,0]=4 17131 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [1,0,0,1,0,0|2,0,0]=4 17132 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [1,0,0,1,0,0|2,0,0]=4 17133 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [1,0,0,1,0,0|2,0,0]=4 17134 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [1,0,0,1,0,0|2,0,0]=4 17135 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [1,0,0,1,0,0|2,0,0]=4 17136 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [1,0,0,1,0,0|2,0,0]=4 17137 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [1,0,0,1,0,0|2,0,0]=4 17138 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [1,0,0,1,0,0|2,0,0]=4 17139 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [1,0,0,1,0,0|2,0,0]=4 17140 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 17141 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [1,0,0,1,0,0|2,0,0]=4 17142 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [1,0,0,1,0,0|2,0,0]=4 17143 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [1,0,0,1,0,0|2,0,0]=4 17144 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [1,0,0,1,0,0|2,0,0]=4 17145 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [1,0,0,1,0,0|2,0,0]=4 17146 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 17147 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [1,0,0,1,0,0|2,0,0]=4 17148 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [1,0,0,1,0,0|2,0,0]=4 17149 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [1,0,0,1,0,0|2,0,0]=4 17150 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17151 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17152 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [1,0,0,1,0,0|2,0,0]=4 17153 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17154 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17155 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [1,0,0,1,0,0|2,0,0]=4 17156 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 17157 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 17158 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [1,0,0,1,0,0|2,0,0]=4 17159 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 17160 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [1,0,0,1,0,0|1,0,1]=4 17161 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [1,0,0,1,0,0|1,0,1]=4 17162 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [1,0,0,1,0,0|0,0,2]=4 17163 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [1,0,0,1,0,0|0,0,2]=4 17164 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [1,0,0,1,0,0|1,0,1]=4 17165 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [1,0,0,1,0,0|1,0,0]=3 17166 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [1,0,0,1,0,0|1,0,0]=3 17167 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [1,0,0,1,0,0|2,0,0]=4 17168 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [1,0,0,1,0,0|0,0,0]=2 17169 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [1,0,0,1,0,0|1,0,1]=4 17170 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 17171 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 17172 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [1,0,0,1,0,0|1,0,0]=3 17173 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 17174 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [1,0,0,1,0,0|2,0,0]=4 17175 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 17176 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 17177 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 17178 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [1,0,0,1,0,0|2,0,0]=4 17179 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [1,0,0,1,0,0|0,0,2]=4 17180 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [1,0,0,1,0,0|0,0,2]=4 17181 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [1,0,0,1,0,0|0,0,2]=4 17182 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [1,0,0,1,0,0|0,0,2]=4 17183 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [1,0,0,1,0,0|0,0,2]=4 17184 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [1,0,0,1,0,0|0,0,2]=4 17185 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [1,0,0,1,0,0|0,0,2]=4 17186 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [1,0,0,1,0,0|0,0,0]=2 17187 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [1,0,0,1,0,0|0,0,0]=2 17188 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [1,0,0,1,0,0|1,0,0]=3 17189 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [1,0,0,1,0,0|1,0,0]=3 17190 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [1,0,0,1,0,0|1,0,0]=3 17191 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [1,0,0,1,0,0|1,0,0]=3 17192 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 17193 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 17194 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 17195 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [1,0,0,1,0,0|1,0,0]=3 17196 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 17197 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 17198 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 17199 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [1,0,0,1,0,0|2,0,0]=4 17200 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 17201 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 17202 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 17203 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [1,0,0,1,0,0|2,0,0]=4 17204 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 17205 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 17206 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [1,0,0,1,0,0|2,0,0]=4 17207 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 17208 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [1,0,0,1,0,0|2,0,0]=4 17209 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 17210 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 17211 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [1,0,0,1,0,0|1,0,0]=3 17212 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [1,0,0,1,0,0|2,0,0]=4 17213 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [1,0,0,1,0,0|2,0,0]=4 17214 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 17215 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 17216 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 17217 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [1,0,0,1,0,0|2,0,0]=4 17218 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [1,0,0,1,0,0|2,0,0]=4 17219 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [1,0,0,1,0,0|1,0,0]=3 17220 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [1,0,0,1,0,0|2,0,0]=4 17221 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [1,0,0,1,0,0|1,0,0]=3 17222 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [1,0,0,1,0,0|2,0,0]=4 17223 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [1,0,0,1,0,0|2,0,0]=4 17224 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 17225 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 17226 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 17227 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [1,0,0,1,0,0|2,0,0]=4 17228 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [1,0,0,1,0,0|1,0,0]=3 17229 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [1,0,0,1,0,0|2,0,0]=4 17230 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [1,0,0,1,0,0|2,0,0]=4 17231 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 17232 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 17233 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 17234 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [1,0,0,1,0,0|2,0,0]=4 17235 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [1,0,0,1,0,0|1,0,1]=4 17236 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [1,0,0,1,0,0|1,0,1]=4 17237 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [1,0,0,1,0,0|1,0,0]=3 17238 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [1,0,0,1,0,0|2,0,0]=4 17239 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [1,0,0,1,0,0|1,0,0]=3 17240 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [1,0,0,1,0,0|1,0,0]=3 17241 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [1,0,0,1,0,0|2,0,0]=4 17242 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [1,0,0,1,0,0|2,0,0]=4 17243 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [1,0,0,1,0,0|2,0,0]=4 17244 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [1,0,0,1,0,0|2,0,0]=4 17245 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [1,0,0,1,0,0|0,0,2]=4 17246 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [1,0,0,1,0,0|0,0,2]=4 17247 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [1,0,0,1,0,0|0,0,2]=4 17248 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [1,0,0,1,0,0|0,0,2]=4 17249 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [1,0,0,1,0,0|0,0,2]=4 17250 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [1,0,0,1,0,0|0,0,2]=4 17251 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [1,0,0,1,0,0|0,0,2]=4 17252 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [1,0,0,1,0,0|0,0,0]=2 17253 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [1,0,0,1,0,0|0,0,0]=2 17254 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [1,0,0,1,0,0|1,0,0]=3 17255 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [1,0,0,1,0,0|1,0,0]=3 17256 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 17257 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 17258 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 17259 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [1,0,0,1,0,0|1,0,0]=3 17260 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [1,0,0,1,0,0|2,0,0]=4 17261 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 17262 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [1,0,0,1,0,0|2,0,0]=4 17263 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 17264 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 17265 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [1,0,0,1,0,0|1,0,0]=3 17266 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [1,0,0,1,0,0|2,0,0]=4 17267 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [1,0,0,1,0,0|2,0,0]=4 17268 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 17269 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 17270 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 17271 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 17272 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [1,0,0,1,0,0|2,0,0]=4 17273 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [1,0,0,1,0,0|2,0,0]=4 17274 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [1,0,0,1,0,0|1,0,0]=3 17275 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [1,0,0,1,0,0|1,0,0]=3 17276 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [1,0,0,1,0,0|2,0,0]=4 17277 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [1,0,0,1,0,0|1,0,0]=3 17278 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [1,0,0,1,0,0|2,0,0]=4 17279 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 17280 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 17281 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 17282 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [1,0,0,1,0,0|2,0,0]=4 17283 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [1,0,0,1,0,0|1,0,0]=3 17284 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [1,0,0,1,0,0|2,0,0]=4 17285 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 17286 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 17287 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 17288 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [1,0,0,1,0,0|2,0,0]=4 17289 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [1,0,0,1,0,0|1,0,1]=4 17290 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [1,0,0,1,0,0|1,0,1]=4 17291 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [1,0,0,1,0,0|1,0,0]=3 17292 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [1,0,0,1,0,0|1,0,0]=3 17293 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [1,0,0,1,0,0|1,0,0]=3 17294 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [1,0,0,1,0,0|2,0,0]=4 17295 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [1,0,0,1,0,0|2,0,0]=4 17296 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [1,0,0,1,0,0|2,0,0]=4 17297 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [1,0,0,1,0,0|1,0,1]=4 17298 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 17299 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 17300 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [1,0,0,1,0,0|1,0,0]=3 17301 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 17302 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [1,0,0,1,0,0|2,0,0]=4 17303 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 17304 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 17305 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [1,0,0,1,0,0|2,0,0]=4 17306 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 17307 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 17308 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [1,0,0,1,0,0|2,0,0]=4 17309 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [1,0,0,1,0,0|0,0,2]=4 17310 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [1,0,0,1,0,0|0,0,2]=4 17311 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [1,0,0,1,0,0|0,0,2]=4 17312 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [1,0,0,1,0,0|0,0,2]=4 17313 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [1,0,0,1,0,0|0,0,0]=2 17314 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [1,0,0,1,0,0|1,0,0]=3 17315 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [1,0,0,1,0,0|2,0,0]=4 17316 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [1,0,0,1,0,0|2,0,0]=4 17317 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [1,0,0,1,0,0|2,0,0]=4 17318 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 17319 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 17320 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 17321 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [1,0,0,1,0,0|1,0,0]=3 17322 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 17323 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 17324 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 17325 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [1,0,0,1,0,0|2,0,0]=4 17326 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [1,0,0,1,0,0|2,0,0]=4 17327 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [1,0,0,1,0,0|1,0,0]=3 17328 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [1,0,0,1,0,0|1,0,0]=3 17329 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [1,0,0,1,0,0|1,0,0]=3 17330 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [1,0,0,1,0,0|1,0,0]=3 17331 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [1,0,0,1,0,0|2,0,0]=4 17332 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [1,0,0,1,0,0|1,0,0]=3 17333 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [1,0,0,1,0,0|2,0,0]=4 17334 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [1,0,0,1,0,0|2,0,0]=4 17335 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [1,0,0,1,0,0|1,0,0]=3 17336 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [1,0,0,1,0,0|2,0,0]=4 17337 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [1,0,0,1,0,0|2,0,0]=4 17338 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [1,0,0,1,0,0|2,0,0]=4 17339 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [1,0,0,1,0,0|1,0,0]=3 17340 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [1,0,0,1,0,0|2,0,0]=4 17341 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 17342 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 17343 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [1,0,0,1,0,0|2,0,0]=4 17344 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [1,0,0,1,0,0|2,0,0]=4 17345 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [1,0,0,1,0,0|2,0,0]=4 17346 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 17347 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 17348 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 17349 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [1,0,0,1,0,0|2,0,0]=4 17350 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [1,0,0,1,0,0|2,0,0]=4 17351 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [1,0,0,1,0,0|2,0,0]=4 17352 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [1,0,0,1,0,0|2,0,0]=4 17353 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [1,0,0,1,0,0|1,0,1]=4 17354 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [1,0,0,1,0,0|2,0,0]=4 17355 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [1,0,0,1,0,0|1,0,0]=3 17356 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [1,0,0,1,0,0|2,0,0]=4 17357 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [1,0,0,1,0,0|1,0,0]=3 17358 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [1,0,0,1,0,0|2,0,0]=4 17359 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [1,0,0,1,0,0|2,0,0]=4 17360 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [1,0,0,1,0,0|2,0,0]=4 17361 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [1,0,0,1,0,0|2,0,0]=4 17362 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [1,0,0,1,0,0|2,0,0]=4 17363 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [1,0,0,1,0,0|2,0,0]=4 17364 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [1,0,0,1,0,0|2,0,0]=4 17365 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [1,0,0,1,0,0|2,0,0]=4 17366 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [1,0,0,1,0,0|2,0,0]=4 17367 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [1,0,0,1,0,0|2,0,0]=4 17368 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [1,0,0,1,0,0|2,0,0]=4 17369 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 17370 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 17371 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 17372 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [1,0,0,1,0,0|2,0,0]=4 17373 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 17374 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [1,0,0,1,0,0|2,0,0]=4 17375 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 17376 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 17377 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [1,0,0,1,0,0|2,0,0]=4 17378 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 17379 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 17380 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [1,0,0,1,0,0|2,0,0]=4 17381 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [1,0,0,1,0,0|2,0,0]=4 17382 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [1,0,0,1,0,0|2,0,0]=4 17383 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 17384 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 17385 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [1,0,0,1,0,0|2,0,0]=4 17386 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 17387 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 17388 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [1,0,0,1,0,0|2,0,0]=4 17389 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 17390 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [1,0,0,1,0,0|1,0,1]=4 17391 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 17392 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 17393 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 17394 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|2,0,0]=4 17395 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|2,0,0]=4 17396 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 17397 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 17398 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|2,0,0]=4 17399 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|2,0,0]=4 17400 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 17401 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 17402 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 17403 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 17404 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 17405 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 17406 B10R1.16 CCCOC1CCC(C1)C 34a_100000698185_100000210303 [1,0,0,1,0,0|1,0,1]=4 17407 B10R1.17 CCCOC1CCCCC1 34a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 17408 B10R1.17 CCCOC1CCCCC1 34a_100000210258_100000210327 [1,0,0,1,0,0|1,0,1]=4 17409 B10R1.17 CCCOC1CCCCC1 7a_100000210231_100000210303 [1,0,0,1,0,0|1,0,1]=4 17410 B10R1.17 CCCOC1CCCCO1 34a_100000033831_100000210303 [1,0,0,1,0,0|0,0,2]=4 17411 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [1,0,0,1,0,0|2,0,0]=4 17412 B10R1.178 CCC#CC(=O)C1CCC1 1458a_100011827653_100000749161 [1,0,0,1,0,0|1,0,1]=4 17413 B10R1.178 CCC=CC(=O)C1CCC1 1458a_100000212282_100000749161 [1,0,0,1,0,0|1,0,1]=4 17414 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [1,0,0,1,0,0|1,0,0]=3 17415 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [1,0,0,1,0,0|1,0,0]=3 17416 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [1,0,0,1,0,0|2,0,0]=4 17417 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [1,0,0,1,0,0|2,0,0]=4 17418 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [1,0,0,1,0,0|2,0,0]=4 17419 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [1,0,0,1,0,0|1,0,0]=3 17420 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [1,0,0,1,0,0|1,0,0]=3 17421 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [1,0,0,1,0,0|1,0,0]=3 17422 B10R1.178 CCCNC(=O)C1CCC1 11a_100020643023_100000209988 [1,0,0,1,0,0|1,0,0]=3 17423 B10R1.178 CCCNC(=O)C1CCC1 1626a_100020643023_100000209988 [1,0,0,1,0,0|1,0,0]=3 17424 B10R1.178 CCCNC(=O)C1CCC1 240690a_100020643023_100000209988 [1,0,0,1,0,0|1,0,0]=3 17425 B10R1.178 CCCNC(=O)C1CCC1 527a_100020643023_100000209988 [1,0,0,1,0,0|1,0,0]=3 17426 B10R1.178 CCCNC(=O)C1CCO1 11a_100020643023_100000089072 [1,0,0,1,0,0|2,0,0]=4 17427 B10R1.178 CCCNC(=O)C1CCO1 1626a_100020643023_100000089072 [1,0,0,1,0,0|2,0,0]=4 17428 B10R1.178 CCCNC(=O)C1CCO1 240690a_100020643023_100000089072 [1,0,0,1,0,0|2,0,0]=4 17429 B10R1.178 CCCNC(=O)C1CCO1 527a_100020643023_100000089072 [1,0,0,1,0,0|2,0,0]=4 17430 B10R1.178 CCCNC(=O)C1COC1 11a_100020643023_100000758290 [1,0,0,1,0,0|2,0,0]=4 17431 B10R1.178 CCCNC(=O)C1COC1 1626a_100020643023_100000758290 [1,0,0,1,0,0|2,0,0]=4 17432 B10R1.178 CCCNC(=O)C1COC1 240690a_100020643023_100000758290 [1,0,0,1,0,0|2,0,0]=4 17433 B10R1.178 CCCNC(=O)C1COC1 527a_100020643023_100000758290 [1,0,0,1,0,0|2,0,0]=4 17434 B10R1.178 CCCNC(=O)N1CCC1 2708a_100020643023_100000754969 [1,0,0,1,0,0|2,0,0]=4 17435 B10R1.178 CCCNC(=O)N1CCC1 273464a_100020643023_100000754969 [1,0,0,1,0,0|2,0,0]=4 17436 B10R1.178 CCCOC(C)C1CCC1 34a_100000766398_100000210303 [1,0,0,1,0,0|1,0,1]=4 17437 B10R1.178 CCCOC(C)C1CCC1 7a_100000766398_100000210303 [1,0,0,1,0,0|1,0,1]=4 17438 B10R1.178 CCNCC(=O)C1CCC1 2230a_100015525214_100000686122 [1,0,0,1,0,0|2,0,0]=4 17439 B10R1.178 CCNCC(=O)N1CCC1 2230a_100015525214_100000185095 [1,0,0,1,0,0|2,0,0]=4 17440 B10R1.178 CCNNC(=O)C1CCC1 22a_100000756455_100000209988 [1,0,0,1,0,0|2,0,0]=4 17441 B10R1.178 CCOCC(=O)C1CCC1 1458a_100000211967_100000749161 [1,0,0,1,0,0|2,0,0]=4 17442 B10R1.178 CCOCC(=O)C1CCC1 34a_100121572206_100000686122 [1,0,0,1,0,0|2,0,0]=4 17443 B10R1.178 CCOCC(=O)N1CCC1 11a_100000754969_100000211967 [1,0,0,1,0,0|2,0,0]=4 17444 B10R1.178 CCOCC(=O)N1CCC1 240690a_100000754969_100000211967 [1,0,0,1,0,0|2,0,0]=4 17445 B10R1.178 CCOCC(=O)N1CCC1 34a_100121572206_100000185095 [1,0,0,1,0,0|2,0,0]=4 17446 B10R1.178 CCOCC(=O)N1CCC1 527a_100000754969_100000211967 [1,0,0,1,0,0|2,0,0]=4 17447 B10R1.178 CCSCC(=O)C1CCC1 1458a_100000230394_100000749161 [1,0,0,1,0,0|2,0,0]=4 17448 B10R1.178 CCSCC(=O)C1CCC1 62a_100000210202_100000686122 [1,0,0,1,0,0|2,0,0]=4 17449 B10R1.178 CCSCC(=O)C1CCC1 62a_100000686122_100000210202 [1,0,0,1,0,0|2,0,0]=4 17450 B10R1.178 CCSCC(=O)N1CCC1 11a_100000754969_100000230394 [1,0,0,1,0,0|2,0,0]=4 17451 B10R1.178 CCSCC(=O)N1CCC1 240690a_100000754969_100000230394 [1,0,0,1,0,0|2,0,0]=4 17452 B10R1.178 CCSCC(=O)N1CCC1 527a_100000754969_100000230394 [1,0,0,1,0,0|2,0,0]=4 17453 B10R1.178 CCSCC(=O)N1CCC1 62a_100000185095_100000210202 [1,0,0,1,0,0|2,0,0]=4 17454 B10R1.178 CCSCC(=O)N1CCC1 62a_100000210202_100000185095 [1,0,0,1,0,0|2,0,0]=4 17455 B10R1.178 COCCC(=O)C1CCC1 1458a_100000209988_100000233755 [1,0,0,1,0,0|2,0,0]=4 17456 B10R1.178 COCCC(=O)C1CCC1 1458a_100000749529_100000749161 [1,0,0,1,0,0|2,0,0]=4 17457 B10R1.178 COCCC(=O)N1CCC1 11a_100000754969_100000749529 [1,0,0,1,0,0|2,0,0]=4 17458 B10R1.178 COCCC(=O)N1CCC1 240690a_100000754969_100000749529 [1,0,0,1,0,0|2,0,0]=4 17459 B10R1.178 COCCC(=O)N1CCC1 527a_100000754969_100000749529 [1,0,0,1,0,0|2,0,0]=4 17460 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000174002_100000749161 [1,0,0,1,0,0|2,0,0]=4 17461 B10R1.178 CSCCC(=O)C1CCC1 1458a_100000209988_100000751147 [1,0,0,1,0,0|2,0,0]=4 17462 B10R1.178 CSCCC(=O)N1CCC1 11a_100000754969_100000174002 [1,0,0,1,0,0|2,0,0]=4 17463 B10R1.178 CSCCC(=O)N1CCC1 240690a_100000754969_100000174002 [1,0,0,1,0,0|2,0,0]=4 17464 B10R1.178 CSCCC(=O)N1CCC1 527a_100000754969_100000174002 [1,0,0,1,0,0|2,0,0]=4 17465 B10R1.178 O=C(CCCF)C1CCC1 1458a_100000209988_100011934791 [1,0,0,1,0,0|2,0,0]=4 17466 B10R1.178 O=C(CCCO)C1CCC1 1458a_100000209988_100011215043 [1,0,0,1,0,0|2,0,0]=4 17467 B10R1.178 O=C(NCCF)C1CCC1 11a_100000724931_100000209988 [1,0,0,1,0,0|2,0,0]=4 17468 B10R1.178 O=C(NCCF)C1CCC1 1626a_100000724931_100000209988 [1,0,0,1,0,0|2,0,0]=4 17469 B10R1.178 O=C(NCCF)C1CCC1 240690a_100000724931_100000209988 [1,0,0,1,0,0|2,0,0]=4 17470 B10R1.178 O=C(NCCF)C1CCC1 527a_100000724931_100000209988 [1,0,0,1,0,0|2,0,0]=4 17471 B10R1.178 O=C(NCCO)C1CCC1 240690a_100000210304_100000209988 [1,0,0,1,0,0|2,0,0]=4 17472 B10R1.178 O=C(NCCO)C1CCC1 527a_100000210304_100000209988 [1,0,0,1,0,0|2,0,0]=4 17473 B10R1.180 CCC#CC(=O)CC1CC1 1458a_100011827653_100000742324 [1,0,0,1,0,0|1,0,1]=4 17474 B10R1.180 CCC=CC(=O)CC1CC1 1458a_100000212282_100000742324 [1,0,0,1,0,0|1,0,1]=4 17475 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [1,0,0,1,0,0|1,0,0]=3 17476 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [1,0,0,1,0,0|1,0,0]=3 17477 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [1,0,0,1,0,0|2,0,0]=4 17478 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [1,0,0,1,0,0|2,0,0]=4 17479 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [1,0,0,1,0,0|2,0,0]=4 17480 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 17481 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 17482 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [1,0,0,1,0,0|1,0,0]=3 17483 B10R1.180 CCCCC(C)OC1CC1 34a_100000687866_100000211595 [1,0,0,1,0,0|1,0,1]=4 17484 B10R1.180 CCCNC(=O)CC1CC1 11a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 17485 B10R1.180 CCCNC(=O)CC1CC1 1626a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 17486 B10R1.180 CCCNC(=O)CC1CC1 240690a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 17487 B10R1.180 CCCNC(=O)CC1CC1 527a_100020643023_100000738066 [1,0,0,1,0,0|1,0,0]=3 17488 B10R1.180 CCCNC(=O)NC1CC1 2708a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 17489 B10R1.180 CCCNC(=O)NC1CC1 2708a_100020643023_100000212008 [1,0,0,1,0,0|2,0,0]=4 17490 B10R1.180 CCCNC(=O)NC1CC1 273464a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 17491 B10R1.180 CCCNC(=O)NC1CC1 273464a_100020643023_100000212008 [1,0,0,1,0,0|2,0,0]=4 17492 B10R1.180 CCCNC(=O)NC1CC1 512a_100000212008_100020643023 [1,0,0,1,0,0|2,0,0]=4 17493 B10R1.180 CCNCC(=O)NC1CC1 2230a_100000702991_100000210202 [1,0,0,1,0,0|2,0,0]=4 17494 B10R1.180 CCNCC(=O)NC1CC1 2230a_100015525214_100000182950 [1,0,0,1,0,0|2,0,0]=4 17495 B10R1.180 CCNNC(=O)CC1CC1 22a_100000756455_100000738066 [1,0,0,1,0,0|2,0,0]=4 17496 B10R1.180 CCOCC(=O)CC1CC1 1458a_100000211967_100000742324 [1,0,0,1,0,0|2,0,0]=4 17497 B10R1.180 CCOCC(=O)NC1CC1 1626a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 17498 B10R1.180 CCOCC(=O)NC1CC1 240690a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 17499 B10R1.180 CCOCC(=O)NC1CC1 34a_100121572206_100000182950 [1,0,0,1,0,0|2,0,0]=4 17500 B10R1.180 CCOCC(=O)NC1CC1 527a_100000212008_100000211967 [1,0,0,1,0,0|2,0,0]=4 17501 B10R1.180 CCSCC(=O)CC1CC1 1458a_100000230394_100000742324 [1,0,0,1,0,0|2,0,0]=4 17502 B10R1.180 CCSCC(=O)NC1CC1 1626a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 17503 B10R1.180 CCSCC(=O)NC1CC1 240690a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 17504 B10R1.180 CCSCC(=O)NC1CC1 527a_100000212008_100000230394 [1,0,0,1,0,0|2,0,0]=4 17505 B10R1.180 CCSCC(=O)NC1CC1 62a_100000182950_100000210202 [1,0,0,1,0,0|2,0,0]=4 17506 B10R1.180 CCSCC(=O)NC1CC1 62a_100000210202_100000182950 [1,0,0,1,0,0|2,0,0]=4 17507 B10R1.180 CNCCC(=O)NC1CC1 2230a_106832991635_100000737409 [1,0,0,1,0,0|2,0,0]=4 17508 B10R1.180 CNCCC(=O)NC1CC1 34a_100102657272_100000737409 [1,0,0,1,0,0|2,0,0]=4 17509 B10R1.180 COCCC(=O)CC1CC1 1458a_100000738066_100000233755 [1,0,0,1,0,0|2,0,0]=4 17510 B10R1.180 COCCC(=O)CC1CC1 1458a_100000749529_100000742324 [1,0,0,1,0,0|2,0,0]=4 17511 B10R1.180 COCCC(=O)NC1CC1 1626a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 17512 B10R1.180 COCCC(=O)NC1CC1 240690a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 17513 B10R1.180 COCCC(=O)NC1CC1 34a_100138415774_100000737409 [1,0,0,1,0,0|2,0,0]=4 17514 B10R1.180 COCCC(=O)NC1CC1 527a_100000212008_100000749529 [1,0,0,1,0,0|2,0,0]=4 17515 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000174002_100000742324 [1,0,0,1,0,0|2,0,0]=4 17516 B10R1.180 CSCCC(=O)CC1CC1 1458a_100000738066_100000751147 [1,0,0,1,0,0|2,0,0]=4 17517 B10R1.180 CSCCC(=O)NC1CC1 1626a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 17518 B10R1.180 CSCCC(=O)NC1CC1 240690a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 17519 B10R1.180 CSCCC(=O)NC1CC1 527a_100000212008_100000174002 [1,0,0,1,0,0|2,0,0]=4 17520 B10R1.180 CSCCC(=O)NC1CC1 62a_100000737409_200000210301 [1,0,0,1,0,0|2,0,0]=4 17521 B10R1.180 CSCCC(=O)NC1CC1 62a_200000210301_100000737409 [1,0,0,1,0,0|2,0,0]=4 17522 B10R1.180 O=C(CC1CC1)NCCF 11a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 17523 B10R1.180 O=C(CC1CC1)NCCF 1626a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 17524 B10R1.180 O=C(CC1CC1)NCCF 240690a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 17525 B10R1.180 O=C(CC1CC1)NCCF 527a_100000724931_100000738066 [1,0,0,1,0,0|2,0,0]=4 17526 B10R1.180 O=C(CC1CC1)NCCO 240690a_100000210304_100000738066 [1,0,0,1,0,0|2,0,0]=4 17527 B10R1.180 O=C(CC1CC1)NCCO 527a_100000210304_100000738066 [1,0,0,1,0,0|2,0,0]=4 17528 B10R1.180 O=C(CCCF)CC1CC1 1458a_100000738066_100011934791 [1,0,0,1,0,0|2,0,0]=4 17529 B10R1.180 O=C(CCCO)CC1CC1 1458a_100000738066_100011215043 [1,0,0,1,0,0|2,0,0]=4 17530 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_100000737409_200025704644 [1,0,0,1,0,0|2,0,0]=4 17531 B10R1.180 [13CH3]SCCC(=O)NC1CC1 62a_200025704644_100000737409 [1,0,0,1,0,0|2,0,0]=4 17532 B10R1.216 CCCOC1(CCCC1)C 34a_100000751722_100000210303 [1,0,0,1,0,0|1,0,1]=4 17533 B10R1.216 CCCOC1(CCCC1)C 7a_100000751722_100000210303 [1,0,0,1,0,0|1,0,1]=4 17534 B10R1.293 CC1CC1C(=O)CCCF 1458a_100000211227_100011934791 [1,0,0,1,0,0|2,0,0]=4 17535 B10R1.293 CC1CC1C(=O)CCCO 1458a_100000211227_100011215043 [1,0,0,1,0,0|2,0,0]=4 17536 B10R1.293 CC1CC1C(=O)NCCF 11a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 17537 B10R1.293 CC1CC1C(=O)NCCF 1626a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 17538 B10R1.293 CC1CC1C(=O)NCCF 527a_100000724931_100000211227 [1,0,0,1,0,0|2,0,0]=4 17539 B10R1.293 CC1CC1C(=O)NCCO 527a_100000210304_100000211227 [1,0,0,1,0,0|2,0,0]=4 17540 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [1,0,0,1,0,0|1,0,0]=3 17541 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [1,0,0,1,0,0|2,0,0]=4 17542 B10R1.293 CCCNC(=O)C1CC1C 11a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 17543 B10R1.293 CCCNC(=O)C1CC1C 1626a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 17544 B10R1.293 CCCNC(=O)C1CC1C 527a_100020643023_100000211227 [1,0,0,1,0,0|1,0,0]=3 17545 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 11a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 17546 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 17547 B10R1.293 CCCNC(=O)[C@@H]1C[C@@H]1F 527a_100020643023_100015396687 [1,0,0,1,0,0|2,0,0]=4 17548 B10R1.293 CCNNC(=O)C1CC1C 22a_100000756455_100000211227 [1,0,0,1,0,0|2,0,0]=4 17549 B10R1.293 COCCC(=O)C1CC1C 1458a_100000211227_100000233755 [1,0,0,1,0,0|2,0,0]=4 17550 B10R1.293 CSCCC(=O)C1CC1C 1458a_100000211227_100000751147 [1,0,0,1,0,0|2,0,0]=4 17551 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [1,0,0,1,0,0|2,0,0]=4 17552 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [1,0,0,1,0,0|2,0,0]=4 17553 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [1,0,0,1,0,0|2,0,0]=4 17554 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [1,0,0,1,0,0|2,0,0]=4 17555 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [1,0,0,1,0,0|2,0,0]=4 17556 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [1,0,0,1,0,0|2,0,0]=4 17557 B10R1.5 CCCN1CC=CC1CC 2230a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 17558 B10R1.5 CCCN1CC=CC1CC 269982a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 17559 B10R1.5 CCCN1CC=CC1CC 34a_100000730860_100000210303 [1,0,0,1,0,0|2,0,0]=4 17560 B10R1.5 CCCN1CCCC1CC 2230a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 17561 B10R1.5 CCCN1CCCC1CC 269982a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 17562 B10R1.5 CCCN1CCCC1CC 34a_100000754278_100000210303 [1,0,0,1,0,0|1,0,1]=4 17563 B10R1.37 CCCCCN1CCC1C 269982a_100000755817_100000210215 [1,0,0,1,0,0|2,0,0]=4 17564 B10R1.37 CCCCCN1CCC1C 34a_100000755817_100000718602 [1,0,0,1,0,0|2,0,0]=4 17565 B10R1.56 CCCCOCC1CC1C 34a_100000744939_100000210210 [1,0,0,1,0,0|2,0,0]=4 17566 B10R1.56 CCCCOCC1CC1C 7a_100000744939_100000210211 [1,0,0,1,0,0|2,0,0]=4 17567 B10R1.57 CCCCCCN1CCC1 269982a_100000754969_100000210757 [1,0,0,1,0,0|1,0,1]=4 17568 B10R1.57 CCCCCNC1CCC1 2230a_100000749019_100000210326 [1,0,0,1,0,0|2,0,0]=4 17569 B10R1.57 CCCCCNC1CCC1 270004a_100000209983_100000241760 [1,0,0,1,0,0|2,0,0]=4 17570 B10R1.57 CCCCCNC1CCC1 34a_100000749019_100000718602 [1,0,0,1,0,0|2,0,0]=4 17571 B10R1.57 CCCCCOC1CCC1 34a_100000210253_100000749161 [1,0,0,1,0,0|2,0,0]=4 17572 B10R1.57 CCCCCOC1CCC1 34a_100000748187_100000718602 [1,0,0,1,0,0|2,0,0]=4 17573 B10R1.57 CCCCCSC1CCC1 62a_100000210326_100000749161 [1,0,0,1,0,0|2,0,0]=4 17574 B10R1.57 CCCCNCC1CCC1 2230a_100000102301_100000763275 [1,0,0,1,0,0|2,0,0]=4 17575 B10R1.57 CCCCNCC1CCC1 2230a_100000738700_100000210211 [1,0,0,1,0,0|2,0,0]=4 17576 B10R1.57 CCCCNCC1CCC1 269862a_100000102301_100000753134 [1,0,0,1,0,0|2,0,0]=4 17577 B10R1.57 CCCCNCC1CCC1 34a_100000738700_100000210210 [1,0,0,1,0,0|2,0,0]=4 17578 B10R1.57 CCCCNCC1CCC1 7a_106832991798_100000763275 [1,0,0,1,0,0|2,0,0]=4 17579 B10R1.57 CCCCOCC1CCC1 34a_100000210227_100000763275 [1,0,0,1,0,0|2,0,0]=4 17580 B10R1.57 CCCCOCC1CCC1 34a_100000760304_100000210210 [1,0,0,1,0,0|2,0,0]=4 17581 B10R1.57 CCCCOCC1CCC1 7a_100000210227_100000763275 [1,0,0,1,0,0|2,0,0]=4 17582 B10R1.57 CCCCSCC1CCC1 62a_100000210211_100000763275 [1,0,0,1,0,0|2,0,0]=4 17583 B10R1.57 CCCCSCC1CCC1 62a_100000763275_100000210210 [1,0,0,1,0,0|2,0,0]=4 17584 B10R1.57 CCCOCCC1COC1 34a_100009855314_100000210303 [1,0,0,1,0,0|1,0,1]=4 17585 B10R1.57 CCCOCCN1CCC1 269982a_100000754969_100011215938 [1,0,0,1,0,0|1,0,1]=4 17586 B10R1.161 CNC1CC/C=C\CCC1 34a_100102657272_100021000466 [1,0,0,1,0,0|2,0,0]=4 17587 B10R1.161 CNC1CC/C=C\CCC1 7a_106832991635_100021000466 [1,0,0,1,0,0|2,0,0]=4 17588 B10R1.161 COC1C=CCCCCC1 34a_100000688657_200000210301 [1,0,0,1,0,0|2,0,0]=4 17589 B10R1.161 COC1CC/C=C\CCC1 34a_100016989180_200000210301 [1,0,0,1,0,0|2,0,0]=4 17590 B10R1.161 COC1CC/C=C\CCC1 34a_100138415774_100021000466 [1,0,0,1,0,0|2,0,0]=4 17591 B10R1.161 CSC1CC/C=C\CCC1 62a_100021000466_200000210301 [1,0,0,1,0,0|2,0,0]=4 17592 B10R1.161 CSC1CC/C=C\CCC1 62a_200000210301_100021000466 [1,0,0,1,0,0|2,0,0]=4 17593 B10R1.161 [13CH3]OC1C=CCCCCC1 34a_100000688657_200025704644 [1,0,0,1,0,0|2,0,0]=4 17594 B10R1.161 [13CH3]OC1CC/C=C\CCC1 34a_100016989180_200025704644 [1,0,0,1,0,0|2,0,0]=4 17595 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_100021000466_200025704644 [1,0,0,1,0,0|2,0,0]=4 17596 B10R1.161 [13CH3]SC1CC/C=C\CCC1 62a_200025704644_100021000466 [1,0,0,1,0,0|2,0,0]=4 17597 B10R1.177 BrCCCCCOC1CC1 34a_100000746331_100000211595 [1,0,0,1,0,0|1,0,1]=4 17598 B10R1.177 CCC/C=C/COC1CC1 34a_100016278788_100000211595 [1,0,0,1,0,0|2,0,0]=4 17599 B10R1.177 CCCCCCNC1CC1 34a_100000212008_100000210314 [1,0,0,1,0,0|1,0,1]=4 17600 B10R1.177 CCCCCCOC1CC1 34a_100000210259_100000211595 [1,0,0,1,0,0|0,0,1]=3 17601 B10R1.177 CCCCCCSC1CC1 62a_100000210314_100000211595 [1,0,0,1,0,0|0,1,1]=4 17602 B10R1.177 CCCCCNCC1CC1 2230a_100000209983_100000742324 [1,0,0,1,0,0|2,0,0]=4 17603 B10R1.177 CCCCCNCC1CC1 2230a_100000735609_100000210326 [1,0,0,1,0,0|2,0,0]=4 17604 B10R1.177 CCCCCNCC1CC1 269862a_100000209983_100000741477 [1,0,0,1,0,0|2,0,0]=4 17605 B10R1.177 CCCCCNCC1CC1 34a_100000735609_100000718602 [1,0,0,1,0,0|2,0,0]=4 17606 B10R1.177 CCCCCOCC1CC1 34a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 17607 B10R1.177 CCCCCOCC1CC1 34a_100000211283_100000718602 [1,0,0,1,0,0|2,0,0]=4 17608 B10R1.177 CCCCCOCC1CC1 7a_100000210253_100000742324 [1,0,0,1,0,0|2,0,0]=4 17609 B10R1.177 CCCCCSCC1CC1 62a_100000210326_100000742324 [1,0,0,1,0,0|2,0,0]=4 17610 B10R1.177 CCCCCSCC1CC1 62a_100000756562_100000210326 [1,0,0,1,0,0|2,0,0]=4 17611 B10R1.177 CCCCNCCC1CC1 2230a_100000102301_100000694398 [1,0,0,1,0,0|2,0,0]=4 17612 B10R1.177 CCCCNCCC1CC1 34a_100000764129_100000210210 [1,0,0,1,0,0|2,0,0]=4 17613 B10R1.177 CCCCNCCC1CC1 7a_106832991798_100000764125 [1,0,0,1,0,0|2,0,0]=4 17614 B10R1.177 CCCCOCCC1CC1 34a_100000210227_100000694398 [1,0,0,1,0,0|2,0,0]=4 17615 B10R1.177 CCCCOCCC1CC1 34a_100000754188_100000210210 [1,0,0,1,0,0|2,0,0]=4 17616 B10R1.177 CCCCOCCC1CC1 7a_100000210227_100000764125 [1,0,0,1,0,0|2,0,0]=4 17617 B10R1.177 CCCCOCCC1CC1 7a_100000754188_100000210211 [1,0,0,1,0,0|2,0,0]=4 17618 B10R1.177 CCCCSCCC1CC1 62a_100000210211_100000764125 [1,0,0,1,0,0|2,0,0]=4 17619 B10R1.177 CCCCSCCC1CC1 62a_100000764125_100000210210 [1,0,0,1,0,0|2,0,0]=4 17620 B10R1.177 CCCOCCCC1CO1 34a_100000210258_100000733510 [1,0,0,1,0,0|1,0,1]=4 17621 B10R1.177 CCCOCCNC1CC1 34a_100000212008_100011215938 [1,0,0,1,0,0|1,0,1]=4 17622 B10R1.177 CCCOCCNC1CC1 34a_100000738766_100000210303 [1,0,0,1,0,0|1,0,1]=4 17623 B10R1.177 CCCOCCNC1CC1 34a_100161115042_100000211595 [1,0,0,1,0,0|1,0,1]=4 17624 B10R1.177 CCCOCCOC1CC1 34a_100000752267_100000211595 [1,0,0,1,0,0|1,0,1]=4 17625 B10R1.177 CCCOCCSC1CC1 62a_100011215938_100000211595 [1,0,0,1,0,0|1,0,1]=4 17626 B10R1.177 CCCSCCOC1CC1 34a_200000230433_100000211595 [1,0,0,1,0,0|1,0,1]=4 17627 B10R1.177 CCOCCCOC1CC1 34a_100000757476_100000211595 [1,0,0,1,0,0|1,0,1]=4 17628 B10R1.177 CCSCCCOC1CC1 34a_100011216438_100000211595 [1,0,0,1,0,0|1,0,1]=4 17629 B10R1.177 COCCCCOC1CC1 34a_100000740925_100000211595 [1,0,0,1,0,0|1,0,1]=4 17630 B10R1.177 CSCCCCOC1CC1 34a_100011217163_100000211595 [1,0,0,1,0,0|1,0,1]=4 17631 B10R1.177 ClCCCCCOC1CC1 34a_100000746330_100000211595 [1,0,0,1,0,0|1,0,1]=4 17632 B10R1.177 ICCCCCOC1CC1 34a_200012148887_100000211595 [1,0,0,1,0,0|1,0,1]=4 17633 B10R1.177 NCCCCCOC1CC1 34a_100000762737_100000211595 [1,0,0,1,0,0|1,0,1]=4 17634 B12R1.53 C=C(CN1CCCC1)OCOC 269982a_100000188435_100000042856 [0,1,0,1,0,0|2,0,0]=4 17635 B12R1.53 C=CCOC(=O)CN1CCCC1 2230a_100000188435_100000033060 [0,1,0,1,0,0|0,0,2]=4 17636 B12R1.53 C=CCOC(=O)CN1CCCC1 269982a_100000188435_100000033060 [0,1,0,1,0,0|0,0,2]=4 17637 B12R1.53 CCC#CC(=O)CC1CCCC1 1458a_100011827653_100000740388 [0,1,0,1,0,0|1,0,1]=4 17638 B12R1.53 CCC#CC(=O)CC1CCCO1 1458a_100011827653_100000203698 [0,1,0,1,0,0|1,0,1]=4 17639 B12R1.53 CCC#CC(=O)CC1CCOC1 1458a_100011827653_100000702531 [0,1,0,1,0,0|1,0,1]=4 17640 B12R1.53 CCC=CC(=O)CC1CCCC1 1458a_100000212282_100000740388 [0,1,0,1,0,0|1,0,1]=4 17641 B12R1.53 CCC=CC(=O)CC1CCCO1 1458a_100000212282_100000203698 [0,1,0,1,0,0|1,0,1]=4 17642 B12R1.53 CCC=CC(=O)CC1CCOC1 1458a_100000212282_100000702531 [0,1,0,1,0,0|1,0,1]=4 17643 B12R1.53 CCC=CC(=O)NC1CCCC1 11a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17644 B12R1.53 CCC=CC(=O)NC1CCCC1 1626a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17645 B12R1.53 CCC=CC(=O)NC1CCCC1 240690a_100000211070_100000212282 [0,1,0,1,0,0|1,0,1]=4 17646 B12R1.53 CCCCC(=O)C=C1CCCC1 1458a_100000743260_100000210211 [0,1,0,1,0,0|1,0,1]=4 17647 B12R1.53 CCCCC(=O)CC1=CCCC1 1458a_100000050221_100000210211 [0,1,0,1,0,0|1,0,1]=4 17648 B12R1.53 CCCCC(=O)CC1C=CCC1 1458a_100000212241_100000210211 [0,1,0,1,0,0|1,0,1]=4 17649 B12R1.53 CCCCC(=O)CC1CC=CC1 1458a_200000137526_100000210211 [0,1,0,1,0,0|1,0,1]=4 17650 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210183_100000740388 [0,1,0,1,0,0|1,0,0]=3 17651 B12R1.53 CCCCC(=O)CC1CCCC1 1458a_100000210891_100000210211 [0,1,0,1,0,0|1,0,0]=3 17652 B12R1.53 CCCCC(=O)CC1CCCO1 1458a_100000210183_100000203698 [0,1,0,1,0,0|1,0,0]=3 17653 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100000210183_100000702531 [0,1,0,1,0,0|1,0,0]=3 17654 B12R1.53 CCCCC(=O)CC1CCOC1 1458a_100011218419_100000210211 [0,1,0,1,0,0|1,0,0]=3 17655 B12R1.53 CCCCC(=O)CC1OCCO1 1458a_100000210183_100000755774 [0,1,0,1,0,0|2,0,0]=4 17656 B12R1.53 CCCCC(=O)CN1CCCC1 1458a_100000740243_100000210211 [0,1,0,1,0,0|1,0,0]=3 17657 B12R1.53 CCCCC(=O)NC1CCCC1 11a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17658 B12R1.53 CCCCC(=O)NC1CCCC1 1626a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17659 B12R1.53 CCCCC(=O)NC1CCCC1 240690a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17660 B12R1.53 CCCCC(=O)NC1CCCC1 527a_100000211070_100000210183 [0,1,0,1,0,0|1,0,0]=3 17661 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000210183 [0,1,0,1,0,0|2,0,0]=4 17662 B12R1.53 CCCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000210183 [0,1,0,1,0,0|2,0,0]=4 17663 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17664 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17665 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17666 B12R1.53 CCCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000210183 [0,1,0,1,0,0|2,0,0]=4 17667 B12R1.53 CCCNC(=O)C=C1CCCC1 11a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17668 B12R1.53 CCCNC(=O)C=C1CCCC1 1626a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17669 B12R1.53 CCCNC(=O)C=C1CCCC1 240690a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17670 B12R1.53 CCCNC(=O)C=C1CCCC1 527a_100020643023_100000743260 [0,1,0,1,0,0|1,0,1]=4 17671 B12R1.53 CCCNC(=O)CC1=CCCC1 11a_100020643023_100000050221 [0,1,0,1,0,0|1,0,1]=4 17672 B12R1.53 CCCNC(=O)CC1=CCCC1 1626a_100020643023_100000050221 [0,1,0,1,0,0|1,0,1]=4 17673 B12R1.53 CCCNC(=O)CC1=CCCC1 240690a_100020643023_100000050221 [0,1,0,1,0,0|1,0,1]=4 17674 B12R1.53 CCCNC(=O)CC1=CCCC1 527a_100020643023_100000050221 [0,1,0,1,0,0|1,0,1]=4 17675 B12R1.53 CCCNC(=O)CC1C=CCC1 11a_100020643023_100000212241 [0,1,0,1,0,0|1,0,1]=4 17676 B12R1.53 CCCNC(=O)CC1C=CCC1 1626a_100020643023_100000212241 [0,1,0,1,0,0|1,0,1]=4 17677 B12R1.53 CCCNC(=O)CC1C=CCC1 240690a_100020643023_100000212241 [0,1,0,1,0,0|1,0,1]=4 17678 B12R1.53 CCCNC(=O)CC1C=CCC1 527a_100020643023_100000212241 [0,1,0,1,0,0|1,0,1]=4 17679 B12R1.53 CCCNC(=O)CC1CC=CC1 11a_100020643023_200000137526 [0,1,0,1,0,0|1,0,1]=4 17680 B12R1.53 CCCNC(=O)CC1CC=CC1 1626a_100020643023_200000137526 [0,1,0,1,0,0|1,0,1]=4 17681 B12R1.53 CCCNC(=O)CC1CC=CC1 240690a_100020643023_200000137526 [0,1,0,1,0,0|1,0,1]=4 17682 B12R1.53 CCCNC(=O)CC1CC=CC1 527a_100020643023_200000137526 [0,1,0,1,0,0|1,0,1]=4 17683 B12R1.53 CCCNC(=O)CC1CCCC1 11a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17684 B12R1.53 CCCNC(=O)CC1CCCC1 1626a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17685 B12R1.53 CCCNC(=O)CC1CCCC1 240690a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17686 B12R1.53 CCCNC(=O)CC1CCCC1 527a_100020643023_100000210891 [0,1,0,1,0,0|1,0,0]=3 17687 B12R1.53 CCCNC(=O)CC1CCOC1 11a_100020643023_100011218419 [0,1,0,1,0,0|1,0,0]=3 17688 B12R1.53 CCCNC(=O)CC1CCOC1 1626a_100020643023_100011218419 [0,1,0,1,0,0|1,0,0]=3 17689 B12R1.53 CCCNC(=O)CC1CCOC1 240690a_100020643023_100011218419 [0,1,0,1,0,0|1,0,0]=3 17690 B12R1.53 CCCNC(=O)CC1CCOC1 527a_100020643023_100011218419 [0,1,0,1,0,0|1,0,0]=3 17691 B12R1.53 CCCNC(=O)CN1CCCC1 2230a_100000188435_100000183358 [0,1,0,1,0,0|1,0,0]=3 17692 B12R1.53 CCCNC(=O)CN1CCCC1 240690a_100020643023_100000740243 [0,1,0,1,0,0|1,0,0]=3 17693 B12R1.53 CCCNC(=O)CN1CCCC1 269982a_100000188435_100000183358 [0,1,0,1,0,0|1,0,0]=3 17694 B12R1.53 CCCNC(=O)CN1CCCC1 527a_100020643023_100000740243 [0,1,0,1,0,0|1,0,0]=3 17695 B12R1.53 CCCNC(=O)CN1CCSC1 2230a_100011215254_100000183358 [0,1,0,1,0,0|2,0,0]=4 17696 B12R1.53 CCCNC(=O)CN1CCSC1 269982a_100011215254_100000183358 [0,1,0,1,0,0|2,0,0]=4 17697 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17698 B12R1.53 CCCNC(=O)NC1CCCC1 2708a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17699 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17700 B12R1.53 CCCNC(=O)NC1CCCC1 273464a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17701 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100000211070_100020643023 [0,1,0,1,0,0|1,0,0]=3 17702 B12R1.53 CCCNC(=O)NC1CCCC1 512a_100020643023_100000211070 [0,1,0,1,0,0|1,0,0]=3 17703 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 2708a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17704 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100020643023 [0,1,0,1,0,0|2,0,0]=4 17705 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 273464a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17706 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100020643023 [0,1,0,1,0,0|2,0,0]=4 17707 B12R1.53 CCCNC(=O)N[C@@H]1CCOC1 512a_100020643023_200015188469 [0,1,0,1,0,0|2,0,0]=4 17708 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17709 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 2708a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17710 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17711 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 273464a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17712 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 512a_100015188467_100020643023 [0,1,0,1,0,0|2,0,0]=4 17713 B12R1.53 CCCNC(=O)N[C@H]1CCOC1 512a_100020643023_100015188467 [0,1,0,1,0,0|2,0,0]=4 17714 B12R1.53 CCCOC(=O)CN1CC=CC1 269982a_100015195280_200011215008 [0,1,0,1,0,0|0,0,2]=4 17715 B12R1.53 CCCOC(=O)CN1CCCC1 2230a_100000188435_200011215008 [0,1,0,1,0,0|0,0,0]=2 17716 B12R1.53 CCCOC(=O)CN1CCCC1 269982a_100000188435_200011215008 [0,1,0,1,0,0|0,0,0]=2 17717 B12R1.53 CCCOC(=O)CN1CCSC1 2230a_100011215254_200011215008 [0,1,0,1,0,0|1,0,0]=3 17718 B12R1.53 CCCOC(=O)CN1CCSC1 269982a_100011215254_200011215008 [0,1,0,1,0,0|1,0,0]=3 17719 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100000747513_100000210202 [0,1,0,1,0,0|2,0,0]=4 17720 B12R1.53 CCNCC(=O)NC1CCCC1 2230a_100015525214_100000183512 [0,1,0,1,0,0|2,0,0]=4 17721 B12R1.53 CCNNC(=O)CC1CCCC1 22a_100000756455_100000210891 [0,1,0,1,0,0|2,0,0]=4 17722 B12R1.53 CCNNC(=O)CC1CCOC1 22a_100000756455_100011218419 [0,1,0,1,0,0|2,0,0]=4 17723 B12R1.53 CCNNC(=O)CN1CCCC1 22a_100000756455_100000740243 [0,1,0,1,0,0|2,0,0]=4 17724 B12R1.53 CCNNC(=O)NC1CCCC1 273464a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 17725 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000211070_100000756455 [0,1,0,1,0,0|2,0,0]=4 17726 B12R1.53 CCNNC(=O)NC1CCCC1 512a_100000756455_100000211070 [0,1,0,1,0,0|2,0,0]=4 17727 B12R1.53 CCOCC(=O)CC1CCCC1 1458a_100000211967_100000740388 [0,1,0,1,0,0|2,0,0]=4 17728 B12R1.53 CCOCC(=O)CC1CCCO1 1458a_100000211967_100000203698 [0,1,0,1,0,0|2,0,0]=4 17729 B12R1.53 CCOCC(=O)CC1CCOC1 1458a_100000211967_100000702531 [0,1,0,1,0,0|2,0,0]=4 17730 B12R1.53 CCOCC(=O)NC1CCCC1 11a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 17731 B12R1.53 CCOCC(=O)NC1CCCC1 1626a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 17732 B12R1.53 CCOCC(=O)NC1CCCC1 240690a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 17733 B12R1.53 CCOCC(=O)NC1CCCC1 34a_100121572206_100000183512 [0,1,0,1,0,0|2,0,0]=4 17734 B12R1.53 CCOCC(=O)NC1CCCC1 527a_100000211070_100000211967 [0,1,0,1,0,0|2,0,0]=4 17735 B12R1.53 CCSCC(=O)CC1CCCC1 1458a_100000230394_100000740388 [0,1,0,1,0,0|2,0,0]=4 17736 B12R1.53 CCSCC(=O)CC1CCCO1 1458a_100000230394_100000203698 [0,1,0,1,0,0|2,0,0]=4 17737 B12R1.53 CCSCC(=O)CC1CCOC1 1458a_100000230394_100000702531 [0,1,0,1,0,0|2,0,0]=4 17738 B12R1.53 CCSCC(=O)NC1CCCC1 11a_100000211070_100000230394 [0,1,0,1,0,0|2,0,0]=4 17739 B12R1.53 CCSCC(=O)NC1CCCC1 1626a_100000211070_100000230394 [0,1,0,1,0,0|2,0,0]=4 17740 B12R1.53 CCSCC(=O)NC1CCCC1 240690a_100000211070_100000230394 [0,1,0,1,0,0|2,0,0]=4 17741 B12R1.53 CCSCC(=O)NC1CCCC1 527a_100000211070_100000230394 [0,1,0,1,0,0|2,0,0]=4 17742 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000183512_100000210202 [0,1,0,1,0,0|2,0,0]=4 17743 B12R1.53 CCSCC(=O)NC1CCCC1 62a_100000210202_100000183512 [0,1,0,1,0,0|2,0,0]=4 17744 B12R1.53 CNCCC(=O)NC1CCCC1 2230a_106832991635_100000743710 [0,1,0,1,0,0|2,0,0]=4 17745 B12R1.53 CNCCC(=O)NC1CCCC1 7a_106832991635_100000743710 [0,1,0,1,0,0|2,0,0]=4 17746 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000210891_100000233755 [0,1,0,1,0,0|2,0,0]=4 17747 B12R1.53 COCCC(=O)CC1CCCC1 1458a_100000749529_100000740388 [0,1,0,1,0,0|2,0,0]=4 17748 B12R1.53 COCCC(=O)CC1CCCO1 1458a_100000749529_100000203698 [0,1,0,1,0,0|2,0,0]=4 17749 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100000749529_100000702531 [0,1,0,1,0,0|2,0,0]=4 17750 B12R1.53 COCCC(=O)CC1CCOC1 1458a_100011218419_100000233755 [0,1,0,1,0,0|2,0,0]=4 17751 B12R1.53 COCCC(=O)CN1CCCC1 1458a_100000740243_100000233755 [0,1,0,1,0,0|2,0,0]=4 17752 B12R1.53 COCCC(=O)NC1CCCC1 11a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 17753 B12R1.53 COCCC(=O)NC1CCCC1 1626a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 17754 B12R1.53 COCCC(=O)NC1CCCC1 240690a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 17755 B12R1.53 COCCC(=O)NC1CCCC1 527a_100000211070_100000749529 [0,1,0,1,0,0|2,0,0]=4 17756 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000174002_100000740388 [0,1,0,1,0,0|2,0,0]=4 17757 B12R1.53 CSCCC(=O)CC1CCCC1 1458a_100000210891_100000751147 [0,1,0,1,0,0|2,0,0]=4 17758 B12R1.53 CSCCC(=O)CC1CCCO1 1458a_100000174002_100000203698 [0,1,0,1,0,0|2,0,0]=4 17759 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100000174002_100000702531 [0,1,0,1,0,0|2,0,0]=4 17760 B12R1.53 CSCCC(=O)CC1CCOC1 1458a_100011218419_100000751147 [0,1,0,1,0,0|2,0,0]=4 17761 B12R1.53 CSCCC(=O)CN1CCCC1 1458a_100000740243_100000751147 [0,1,0,1,0,0|2,0,0]=4 17762 B12R1.53 CSCCC(=O)NC1CCCC1 11a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 17763 B12R1.53 CSCCC(=O)NC1CCCC1 1626a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 17764 B12R1.53 CSCCC(=O)NC1CCCC1 240690a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 17765 B12R1.53 CSCCC(=O)NC1CCCC1 527a_100000211070_100000174002 [0,1,0,1,0,0|2,0,0]=4 17766 B12R1.53 CSCCC(=O)NC1CCCC1 62a_100000743710_200000210301 [0,1,0,1,0,0|2,0,0]=4 17767 B12R1.53 CSCCC(=O)NC1CCCC1 62a_200000210301_100000743710 [0,1,0,1,0,0|2,0,0]=4 17768 B12R1.53 O=C(CC1CCCC1)NCCF 11a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 17769 B12R1.53 O=C(CC1CCCC1)NCCF 1626a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 17770 B12R1.53 O=C(CC1CCCC1)NCCF 240690a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 17771 B12R1.53 O=C(CC1CCCC1)NCCF 527a_100000724931_100000210891 [0,1,0,1,0,0|2,0,0]=4 17772 B12R1.53 O=C(CC1CCCC1)NCCO 240690a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 17773 B12R1.53 O=C(CC1CCCC1)NCCO 527a_100000210304_100000210891 [0,1,0,1,0,0|2,0,0]=4 17774 B12R1.53 O=C(CC1CCOC1)NCCF 11a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 17775 B12R1.53 O=C(CC1CCOC1)NCCF 1626a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 17776 B12R1.53 O=C(CC1CCOC1)NCCF 240690a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 17777 B12R1.53 O=C(CC1CCOC1)NCCF 527a_100000724931_100011218419 [0,1,0,1,0,0|2,0,0]=4 17778 B12R1.53 O=C(CC1CCOC1)NCCO 240690a_100000210304_100011218419 [0,1,0,1,0,0|2,0,0]=4 17779 B12R1.53 O=C(CC1CCOC1)NCCO 527a_100000210304_100011218419 [0,1,0,1,0,0|2,0,0]=4 17780 B12R1.53 O=C(CCCF)CC1CCCC1 1458a_100000210891_100011934791 [0,1,0,1,0,0|2,0,0]=4 17781 B12R1.53 O=C(CCCF)CC1CCOC1 1458a_100011218419_100011934791 [0,1,0,1,0,0|2,0,0]=4 17782 B12R1.53 O=C(CCCF)CN1CCCC1 1458a_100000740243_100011934791 [0,1,0,1,0,0|2,0,0]=4 17783 B12R1.53 O=C(CCCO)CC1CCCC1 1458a_100000210891_100011215043 [0,1,0,1,0,0|2,0,0]=4 17784 B12R1.53 O=C(CCCO)CC1CCOC1 1458a_100011218419_100011215043 [0,1,0,1,0,0|2,0,0]=4 17785 B12R1.53 O=C(CCCO)CN1CCCC1 1458a_100000740243_100011215043 [0,1,0,1,0,0|2,0,0]=4 17786 B12R1.53 O=C(CN1CCCC1)NCCF 240690a_100000724931_100000740243 [0,1,0,1,0,0|2,0,0]=4 17787 B12R1.53 O=C(CN1CCCC1)NCCF 527a_100000724931_100000740243 [0,1,0,1,0,0|2,0,0]=4 17788 B12R1.53 O=C(CN1CCCC1)NCCO 240690a_100000210304_100000740243 [0,1,0,1,0,0|2,0,0]=4 17789 B12R1.53 O=C(CN1CCCC1)NCCO 527a_100000210304_100000740243 [0,1,0,1,0,0|2,0,0]=4 17790 B12R1.53 O=C(NCCF)NC1CCCC1 2708a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 17791 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 17792 B12R1.53 O=C(NCCF)NC1CCCC1 273464a_100000724931_100000211070 [0,1,0,1,0,0|2,0,0]=4 17793 B12R1.53 O=C(NCCF)NC1CCCC1 512a_100000211070_100000724931 [0,1,0,1,0,0|2,0,0]=4 17794 B12R1.53 O=C(NCCO)NC1CCCC1 2708a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 17795 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000210304_100000211070 [0,1,0,1,0,0|2,0,0]=4 17796 B12R1.53 O=C(NCCO)NC1CCCC1 273464a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 17797 B12R1.53 O=C(NCCO)NC1CCCC1 512a_100000211070_100000210304 [0,1,0,1,0,0|2,0,0]=4 17798 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_100000743710_200025704644 [0,1,0,1,0,0|2,0,0]=4 17799 B12R1.53 [13CH3]SCCC(=O)NC1CCCC1 62a_200025704644_100000743710 [0,1,0,1,0,0|2,0,0]=4 17800 B12R1.308 CCCC(=O)C1CCCCC1=O 1458a_100000211992_100000204591 [0,1,0,1,0,0|1,0,1]=4 17801 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000087122_100000210303 [0,1,0,1,0,0|1,0,1]=4 17802 B12R1.308 CCCC(=O)C1CCCNC1=O 1458a_100000211992_100000687798 [0,1,0,1,0,0|1,0,1]=4 17803 B12R1.308 CCCN(C)C1CCCCC1=O 269982a_100000747261_100000204591 [0,1,0,1,0,0|2,0,0]=4 17804 B12R1.308 CCCN(C)C1CCCNC1=O 2230a_100000747261_100000687798 [0,1,0,1,0,0|2,0,0]=4 17805 B12R1.308 CCCN(C)C1CCCNC1=O 269982a_100000747261_100000687798 [0,1,0,1,0,0|2,0,0]=4 17806 B12R1.321 CCCCN1CCCNC(=O)C1 2230a_100015190381_100000210211 [0,1,0,1,0,0|1,0,0]=3 17807 B12R1.321 COCCN1CCCNC(=O)C1 2230a_100015190381_100011201679 [0,1,0,1,0,0|2,0,0]=4 17808 B12R1.321 CSCCN1CCCNC(=O)C1 2230a_100015190381_100000751147 [0,1,0,1,0,0|2,0,0]=4 17809 B12R1.321 O=C1CN(CCCN1)CCCF 2230a_100015190381_100011934791 [0,1,0,1,0,0|2,0,0]=4 17810 B12R1.321 O=C1CN(CCCN1)CCCO 2230a_100015190381_100000230001 [0,1,0,1,0,0|2,0,0]=4 17811 B12R1.460 CC1CCCC1C(=O)CCCF 1458a_100000690547_100011934791 [0,1,0,1,0,0|2,0,0]=4 17812 B12R1.460 CC1CCCC1C(=O)CCCO 1458a_100000690547_100011215043 [0,1,0,1,0,0|2,0,0]=4 17813 B12R1.460 CC1CCCC1C(=O)NCCF 11a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 17814 B12R1.460 CC1CCCC1C(=O)NCCF 1626a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 17815 B12R1.460 CC1CCCC1C(=O)NCCF 240690a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 17816 B12R1.460 CC1CCCC1C(=O)NCCF 527a_100000724931_100000690547 [0,1,0,1,0,0|2,0,0]=4 17817 B12R1.460 CC1CCCC1C(=O)NCCO 240690a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 17818 B12R1.460 CC1CCCC1C(=O)NCCO 527a_100000210304_100000690547 [0,1,0,1,0,0|2,0,0]=4 17819 B12R1.460 CCC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000212282 [0,1,0,1,0,0|1,0,1]=4 17820 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000212282 [0,1,0,1,0,0|1,0,1]=4 17821 B12R1.460 CCC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000212282 [0,1,0,1,0,0|1,0,1]=4 17822 B12R1.460 CCCCC(=O)C1CCCC1=O 1458a_100000210183_100000211823 [0,1,0,1,0,0|1,0,1]=4 17823 B12R1.460 CCCCC(=O)C1CCCC1C 1458a_100000690547_100000210211 [0,1,0,1,0,0|1,0,0]=3 17824 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210183 [0,1,0,1,0,0|1,0,0]=3 17825 B12R1.460 CCCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210183 [0,1,0,1,0,0|1,0,0]=3 17826 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 17827 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 17828 B12R1.460 CCCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210183 [0,1,0,1,0,0|1,0,0]=3 17829 B12R1.460 CCCCC(=O)N1CCSC1C 11a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 17830 B12R1.460 CCCCC(=O)N1CCSC1C 1626a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 17831 B12R1.460 CCCCC(=O)N1CCSC1C 240690a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 17832 B12R1.460 CCCCC(=O)N1CCSC1C 527a_200011216479_100000210183 [0,1,0,1,0,0|2,0,0]=4 17833 B12R1.460 CCCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210211 [0,1,0,1,0,0|1,0,0]=3 17834 B12R1.460 CCCNC(=O)C1CCCC1C 11a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 17835 B12R1.460 CCCNC(=O)C1CCCC1C 1626a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 17836 B12R1.460 CCCNC(=O)C1CCCC1C 240690a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 17837 B12R1.460 CCCNC(=O)C1CCCC1C 527a_100020643023_100000690547 [0,1,0,1,0,0|1,0,0]=3 17838 B12R1.460 CCCNC(=O)C1CSCN1C 240690a_100020643023_100020666735 [0,1,0,1,0,0|2,0,0]=4 17839 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 2708a_100020643023_100020605311 [0,1,0,1,0,0|1,0,0]=3 17840 B12R1.460 CCCNC(=O)N1CCC[C@@H]1C 273464a_100020643023_100020605311 [0,1,0,1,0,0|1,0,0]=3 17841 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 2708a_100020643023_100015189458 [0,1,0,1,0,0|1,0,0]=3 17842 B12R1.460 CCCNC(=O)N1CCC[C@H]1C 273464a_100020643023_100015189458 [0,1,0,1,0,0|1,0,0]=3 17843 B12R1.460 CCCNC(=O)N1CCSC1C 2708a_100020643023_200011216479 [0,1,0,1,0,0|2,0,0]=4 17844 B12R1.460 CCCNC(=O)N1CCSC1C 273464a_100020643023_200011216479 [0,1,0,1,0,0|2,0,0]=4 17845 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 11a_100020643023_100009816429 [0,1,0,1,0,0|1,0,0]=3 17846 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 240690a_100020643023_100009816429 [0,1,0,1,0,0|1,0,0]=3 17847 B12R1.460 CCCNC(=O)[C@@H]1CCCN1C 527a_100020643023_100009816429 [0,1,0,1,0,0|1,0,0]=3 17848 B12R1.460 CCCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100000210303 [0,1,0,1,0,0|1,0,1]=4 17849 B12R1.460 CCNNC(=O)C1CCCC1C 22a_100000756455_100000690547 [0,1,0,1,0,0|2,0,0]=4 17850 B12R1.460 CCNNC(=O)[C@@H]1CCCN1C 22a_100000756455_100009816429 [0,1,0,1,0,0|2,0,0]=4 17851 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211967 [0,1,0,1,0,0|2,0,0]=4 17852 B12R1.460 CCOCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211967 [0,1,0,1,0,0|2,0,0]=4 17853 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 17854 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 17855 B12R1.460 CCOCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211967 [0,1,0,1,0,0|2,0,0]=4 17856 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000230394 [0,1,0,1,0,0|2,0,0]=4 17857 B12R1.460 CCSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000230394 [0,1,0,1,0,0|2,0,0]=4 17858 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000230394 [0,1,0,1,0,0|2,0,0]=4 17859 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000230394 [0,1,0,1,0,0|2,0,0]=4 17860 B12R1.460 CCSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000230394 [0,1,0,1,0,0|2,0,0]=4 17861 B12R1.460 CN1CCC[C@H]1C(=O)CCCF 1458a_100009816429_100011934791 [0,1,0,1,0,0|2,0,0]=4 17862 B12R1.460 CN1CCC[C@H]1C(=O)CCCO 1458a_100009816429_100011215043 [0,1,0,1,0,0|2,0,0]=4 17863 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 11a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 17864 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 240690a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 17865 B12R1.460 CN1CCC[C@H]1C(=O)NCCF 527a_100000724931_100009816429 [0,1,0,1,0,0|2,0,0]=4 17866 B12R1.460 CN1CCC[C@H]1C(=O)NCCO 240690a_100000210304_100009816429 [0,1,0,1,0,0|2,0,0]=4 17867 B12R1.460 CN1CCC[C@H]1C(=O)NCCO 527a_100000210304_100009816429 [0,1,0,1,0,0|2,0,0]=4 17868 B12R1.460 COCCC(=O)C1CCCC1C 1458a_100000690547_100000233755 [0,1,0,1,0,0|2,0,0]=4 17869 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000749529 [0,1,0,1,0,0|2,0,0]=4 17870 B12R1.460 COCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000749529 [0,1,0,1,0,0|2,0,0]=4 17871 B12R1.460 COCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 17872 B12R1.460 COCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 17873 B12R1.460 COCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000749529 [0,1,0,1,0,0|2,0,0]=4 17874 B12R1.460 COCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000233755 [0,1,0,1,0,0|2,0,0]=4 17875 B12R1.460 CSCCC(=O)C1CCCC1C 1458a_100000690547_100000751147 [0,1,0,1,0,0|2,0,0]=4 17876 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000174002 [0,1,0,1,0,0|2,0,0]=4 17877 B12R1.460 CSCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000174002 [0,1,0,1,0,0|2,0,0]=4 17878 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 17879 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 17880 B12R1.460 CSCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000174002 [0,1,0,1,0,0|2,0,0]=4 17881 B12R1.460 CSCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000751147 [0,1,0,1,0,0|2,0,0]=4 17882 B12R1.460 C[C@@H]1CCCN1C(=O)NCCF 273464a_100000724931_100015189458 [0,1,0,1,0,0|2,0,0]=4 17883 B12R1.460 C[C@@H]1CCCN1C(=O)NCCO 273464a_100000210304_100015189458 [0,1,0,1,0,0|2,0,0]=4 17884 B12R1.460 C[C@H]1CCCN1C(=O)NCCF 273464a_100000724931_100020605311 [0,1,0,1,0,0|2,0,0]=4 17885 B12R1.460 C[C@H]1CCCN1C(=O)NCCO 273464a_100000210304_100020605311 [0,1,0,1,0,0|2,0,0]=4 17886 B12R1.462 CCCCC(=O)CC1CC(=O)C1 1458a_100000210183_100009874392 [0,1,0,1,0,0|1,0,1]=4 17887 B12R1.462 CCCCC(=O)NC1CC(C1)F 11a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 17888 B12R1.462 CCCCC(=O)NC1CC(C1)F 1626a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 17889 B12R1.462 CCCCC(=O)NC1CC(C1)F 240690a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 17890 B12R1.462 CCCCC(=O)NC1CC(C1)F 527a_100016993743_100000210183 [0,1,0,1,0,0|2,0,0]=4 17891 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 17892 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 17893 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 17894 B12R1.462 CCCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000210183 [0,1,0,1,0,0|2,0,0]=4 17895 B12R1.462 CCCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 17896 B12R1.462 CCCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 17897 B12R1.462 CCCNC(=O)CN1CC(C1)C 34a_100000702820_100000183358 [0,1,0,1,0,0|2,0,0]=4 17898 B12R1.462 CCCNC(=O)CN1CC(C1)F 2230a_100000690557_100000183358 [0,1,0,1,0,0|2,0,0]=4 17899 B12R1.462 CCCNC(=O)CN1CC(C1)F 269982a_100000690557_100000183358 [0,1,0,1,0,0|2,0,0]=4 17900 B12R1.462 CCCNC(=O)CN1CC(C1)F 34a_100000690557_100000183358 [0,1,0,1,0,0|2,0,0]=4 17901 B12R1.462 CCCNC(=O)CN1CC(C1)O 269982a_100000749847_100000183358 [0,1,0,1,0,0|2,0,0]=4 17902 B12R1.462 CCCNC(=O)NC1CC(C1)F 2708a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 17903 B12R1.462 CCCNC(=O)NC1CC(C1)F 2708a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 17904 B12R1.462 CCCNC(=O)NC1CC(C1)F 273464a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 17905 B12R1.462 CCCNC(=O)NC1CC(C1)F 273464a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 17906 B12R1.462 CCCNC(=O)NC1CC(C1)F 512a_100016993743_100020643023 [0,1,0,1,0,0|2,0,0]=4 17907 B12R1.462 CCCNC(=O)NC1CC(C1)F 512a_100020643023_100016993743 [0,1,0,1,0,0|2,0,0]=4 17908 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 17909 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100020643023 [0,1,0,1,0,0|2,0,0]=4 17910 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 17911 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100020643023 [0,1,0,1,0,0|2,0,0]=4 17912 B12R1.462 CCCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020643023_100020629032 [0,1,0,1,0,0|2,0,0]=4 17913 B12R1.462 CCCOC(=O)CN1CC(C1)C 2230a_100000702820_200011215008 [0,1,0,1,0,0|1,0,0]=3 17914 B12R1.462 CCCOC(=O)CN1CC(C1)C 269982a_100000702820_200011215008 [0,1,0,1,0,0|1,0,0]=3 17915 B12R1.462 CCCOC(=O)CN1CC(C1)C 34a_100000702820_200011215008 [0,1,0,1,0,0|1,0,0]=3 17916 B12R1.462 CCCOC(=O)CN1CC(C1)F 2230a_100000690557_200011215008 [0,1,0,1,0,0|1,0,0]=3 17917 B12R1.462 CCCOC(=O)CN1CC(C1)F 269982a_100000690557_200011215008 [0,1,0,1,0,0|1,0,0]=3 17918 B12R1.462 CCCOC(=O)CN1CC(C1)F 34a_100000690557_200011215008 [0,1,0,1,0,0|1,0,0]=3 17919 B12R1.462 CCCOC(=O)CN1CC(C1)O 269982a_100000749847_200011215008 [0,1,0,1,0,0|1,0,0]=3 17920 B12R1.519 C=C(CCC)CC(=O)C1CCC1 1458a_100000138376_100000749161 [0,1,0,1,0,0|1,0,1]=4 17921 B12R1.519 C=C(CCC)CC(=O)N1CCC1 11a_100000754969_100000138376 [0,1,0,1,0,0|1,0,1]=4 17922 B12R1.519 C=C(CCC)CC(=O)N1CCC1 240690a_100000754969_100000138376 [0,1,0,1,0,0|1,0,1]=4 17923 B12R1.519 C=C(CCC)CC(=O)N1CCC1 527a_100000754969_100000138376 [0,1,0,1,0,0|1,0,1]=4 17924 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000209988_100000747444 [0,1,0,1,0,0|1,0,1]=4 17925 B12R1.519 CCCC(=O)CC(=O)C1CCC1 1458a_100000211992_100000686122 [0,1,0,1,0,0|1,0,1]=4 17926 B12R1.519 CCCC(=O)CC(=O)N1CCC1 1458a_100000211992_100000185095 [0,1,0,1,0,0|1,0,1]=4 17927 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000209988_100011216630 [0,1,0,1,0,0|1,0,0]=3 17928 B12R1.519 CCCC(C)CC(=O)C1CCC1 1458a_100000748435_100000749161 [0,1,0,1,0,0|1,0,0]=3 17929 B12R1.519 CCCC(C)CC(=O)C1CCO1 1458a_100000089072_100011216630 [0,1,0,1,0,0|2,0,0]=4 17930 B12R1.519 CCCC(C)CC(=O)C1COC1 1458a_100000748435_100000687716 [0,1,0,1,0,0|2,0,0]=4 17931 B12R1.519 CCCC(C)CC(=O)C1COC1 1458a_100000758290_100011216630 [0,1,0,1,0,0|2,0,0]=4 17932 B12R1.519 CCCC(C)CC(=O)N1CCC1 11a_100000754969_100000748435 [0,1,0,1,0,0|1,0,0]=3 17933 B12R1.519 CCCC(C)CC(=O)N1CCC1 240690a_100000754969_100000748435 [0,1,0,1,0,0|1,0,0]=3 17934 B12R1.519 CCCC(C)CC(=O)N1CCC1 527a_100000754969_100000748435 [0,1,0,1,0,0|1,0,0]=3 17935 B12R1.519 CCCC(C)NC(=O)C1CCC1 11a_100000741246_100000209988 [0,1,0,1,0,0|2,0,0]=4 17936 B12R1.519 CCCC(C)NC(=O)C1CCC1 1626a_100000741246_100000209988 [0,1,0,1,0,0|2,0,0]=4 17937 B12R1.519 CCCC(C)NC(=O)C1CCC1 240690a_100000741246_100000209988 [0,1,0,1,0,0|2,0,0]=4 17938 B12R1.519 CCCC(C)NC(=O)C1CCC1 527a_100000741246_100000209988 [0,1,0,1,0,0|2,0,0]=4 17939 B12R1.519 CCCC(C)NC(=O)N1CCC1 2708a_100000741246_100000754969 [0,1,0,1,0,0|2,0,0]=4 17940 B12R1.519 CCCC(C)NC(=O)N1CCC1 273464a_100000741246_100000754969 [0,1,0,1,0,0|2,0,0]=4 17941 B12R1.519 CCCN(C)CC(=O)C1CCC1 2230a_100000747261_100000686122 [0,1,0,1,0,0|2,0,0]=4 17942 B12R1.519 CCCN(C)CC(=O)C1CCC1 269982a_100000747261_100000686122 [0,1,0,1,0,0|2,0,0]=4 17943 B12R1.519 CCCN(C)CC(=O)N1CCC1 2230a_100000747261_100000185095 [0,1,0,1,0,0|2,0,0]=4 17944 B12R1.519 CCCN(C)CC(=O)N1CCC1 269982a_100000747261_100000185095 [0,1,0,1,0,0|2,0,0]=4 17945 B12R1.519 CCCS(=O)CC(=O)C1CCC1 1458a_100011387404_100000749161 [0,1,0,1,0,0|2,0,0]=4 17946 B12R1.519 CCCS(=O)CC(=O)N1CCC1 11a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 17947 B12R1.519 CCCS(=O)CC(=O)N1CCC1 240690a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 17948 B12R1.519 CCCS(=O)CC(=O)N1CCC1 527a_100000754969_100011387404 [0,1,0,1,0,0|2,0,0]=4 17949 B12R1.519 CCSC(C)CC(=O)C1CCC1 1458a_200011311441_100000749161 [0,1,0,1,0,0|2,0,0]=4 17950 B12R1.519 CCSC(C)CC(=O)N1CCC1 11a_100000754969_200011311441 [0,1,0,1,0,0|2,0,0]=4 17951 B12R1.519 CCSC(C)CC(=O)N1CCC1 240690a_100000754969_200011311441 [0,1,0,1,0,0|2,0,0]=4 17952 B12R1.519 CCSC(C)CC(=O)N1CCC1 527a_100000754969_200011311441 [0,1,0,1,0,0|2,0,0]=4 17953 B12R1.521 C=C(CCC)CC(=O)CC1CC1 1458a_100000138376_100000742324 [0,1,0,1,0,0|1,0,1]=4 17954 B12R1.521 C=C(CCC)CC(=O)NC1CC1 240690a_100000212008_100000138376 [0,1,0,1,0,0|1,0,1]=4 17955 B12R1.521 C=C(CCC)CC(=O)NC1CC1 527a_100000212008_100000138376 [0,1,0,1,0,0|1,0,1]=4 17956 B12R1.521 CCCC(=O)CC(=O)CC1CC1 1458a_100000738066_100000747444 [0,1,0,1,0,0|1,0,1]=4 17957 B12R1.521 CCCC(=O)CC(=O)NC1CC1 1458a_100000211992_100000182950 [0,1,0,1,0,0|1,0,1]=4 17958 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000738066_100011216630 [0,1,0,1,0,0|1,0,0]=3 17959 B12R1.521 CCCC(C)CC(=O)CC1CC1 1458a_100000748435_100000742324 [0,1,0,1,0,0|1,0,0]=3 17960 B12R1.521 CCCC(C)CC(=O)CC1CO1 1458a_100000748435_100011216344 [0,1,0,1,0,0|2,0,0]=4 17961 B12R1.521 CCCC(C)CC(=O)CC1CS1 1458a_100000748435_100000031435 [0,1,0,1,0,0|2,0,0]=4 17962 B12R1.521 CCCC(C)CC(=O)C[C@@H]1CO1 1458a_100000748435_100000745022 [0,1,0,1,0,0|2,0,0]=4 17963 B12R1.521 CCCC(C)CC(=O)NC1CC1 1626a_100000212008_100000748435 [0,1,0,1,0,0|1,0,0]=3 17964 B12R1.521 CCCC(C)CC(=O)NC1CC1 240690a_100000212008_100000748435 [0,1,0,1,0,0|1,0,0]=3 17965 B12R1.521 CCCC(C)CC(=O)NC1CC1 527a_100000212008_100000748435 [0,1,0,1,0,0|1,0,0]=3 17966 B12R1.521 CCCC(C)NC(=O)CC1CC1 11a_100000741246_100000738066 [0,1,0,1,0,0|2,0,0]=4 17967 B12R1.521 CCCC(C)NC(=O)CC1CC1 1626a_100000741246_100000738066 [0,1,0,1,0,0|2,0,0]=4 17968 B12R1.521 CCCC(C)NC(=O)CC1CC1 240690a_100000741246_100000738066 [0,1,0,1,0,0|2,0,0]=4 17969 B12R1.521 CCCC(C)NC(=O)CC1CC1 527a_100000741246_100000738066 [0,1,0,1,0,0|2,0,0]=4 17970 B12R1.521 CCCC(C)NC(=O)NC1CC1 2708a_100000212008_100000741246 [0,1,0,1,0,0|2,0,0]=4 17971 B12R1.521 CCCC(C)NC(=O)NC1CC1 2708a_100000741246_100000212008 [0,1,0,1,0,0|2,0,0]=4 17972 B12R1.521 CCCC(C)NC(=O)NC1CC1 273464a_100000741246_100000212008 [0,1,0,1,0,0|2,0,0]=4 17973 B12R1.521 CCCC(C)NC(=O)NC1CC1 512a_100000212008_100000741246 [0,1,0,1,0,0|2,0,0]=4 17974 B12R1.521 CCCN(C)CC(=O)NC1CC1 2230a_100000747261_100000182950 [0,1,0,1,0,0|2,0,0]=4 17975 B12R1.521 CCCN(C)CC(=O)NC1CC1 269982a_100000747261_100000182950 [0,1,0,1,0,0|2,0,0]=4 17976 B12R1.521 CCCS(=O)CC(=O)CC1CC1 1458a_100011387404_100000742324 [0,1,0,1,0,0|2,0,0]=4 17977 B12R1.521 CCCS(=O)CC(=O)NC1CC1 1626a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 17978 B12R1.521 CCCS(=O)CC(=O)NC1CC1 240690a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 17979 B12R1.521 CCCS(=O)CC(=O)NC1CC1 527a_100000212008_100011387404 [0,1,0,1,0,0|2,0,0]=4 17980 B12R1.521 CCSC(C)CC(=O)CC1CC1 1458a_200011311441_100000742324 [0,1,0,1,0,0|2,0,0]=4 17981 B12R1.521 CCSC(C)CC(=O)NC1CC1 1626a_100000212008_200011311441 [0,1,0,1,0,0|2,0,0]=4 17982 B12R1.521 CCSC(C)CC(=O)NC1CC1 240690a_100000212008_200011311441 [0,1,0,1,0,0|2,0,0]=4 17983 B12R1.521 CCSC(C)CC(=O)NC1CC1 527a_100000212008_200011311441 [0,1,0,1,0,0|2,0,0]=4 17984 B12R1.841 CCCCC(=O)CC(=O)C1CC1 1458a_100000210183_100000746382 [0,1,0,1,0,0|1,0,1]=4 17985 B12R1.841 CCCCC(=O)NC(C)C1CC1 11a_100000700016_100000210183 [0,1,0,1,0,0|2,0,0]=4 17986 B12R1.841 CCCCC(=O)NC(C)C1CC1 1626a_100000700016_100000210183 [0,1,0,1,0,0|2,0,0]=4 17987 B12R1.841 CCCCC(=O)NC(C)C1CC1 240690a_100000700016_100000210183 [0,1,0,1,0,0|2,0,0]=4 17988 B12R1.841 CCCCC(=O)NC(C)C1CC1 527a_100000700016_100000210183 [0,1,0,1,0,0|2,0,0]=4 17989 B12R1.841 CCCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183358 [0,1,0,1,0,0|1,0,1]=4 17990 B12R1.841 CCCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183358 [0,1,0,1,0,0|2,0,0]=4 17991 B12R1.841 CCCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183358 [0,1,0,1,0,0|2,0,0]=4 17992 B12R1.841 CCCNC(=O)CN(C)C1CC1 269982a_100000684209_100000211595 [0,1,0,1,0,0|2,0,0]=4 17993 B12R1.841 CCCNC(=O)NC(C)C1CC1 2708a_100000700016_100020643023 [0,1,0,1,0,0|2,0,0]=4 17994 B12R1.841 CCCNC(=O)NC(C)C1CC1 2708a_100020643023_100000700016 [0,1,0,1,0,0|2,0,0]=4 17995 B12R1.841 CCCNC(=O)NC(C)C1CC1 273464a_100000700016_100020643023 [0,1,0,1,0,0|2,0,0]=4 17996 B12R1.841 CCCNC(=O)NC(C)C1CC1 273464a_100020643023_100000700016 [0,1,0,1,0,0|2,0,0]=4 17997 B12R1.841 CCCNC(=O)NC(C)C1CC1 512a_100000700016_100020643023 [0,1,0,1,0,0|2,0,0]=4 17998 B12R1.841 CCCNC(=O)NC(C)C1CC1 512a_100020643023_100000700016 [0,1,0,1,0,0|2,0,0]=4 17999 B12R1.841 CCCOC(=O)CC(=O)C1CC1 1458a_100000210395_200011215008 [0,1,0,1,0,0|0,0,1]=3 18000 B12R1.841 CCCOC(=O)CC(=O)C1CO1 1458a_100000701028_200011215008 [0,1,0,1,0,0|1,0,1]=4 18001 B12R1.841 CCCOC(=O)CN(C)C1CC1 2230a_100000226674_200011215008 [0,1,0,1,0,0|1,0,0]=3 18002 B12R1.841 CCCOC(=O)CN(C)C1CC1 269982a_100000226674_200011215008 [0,1,0,1,0,0|1,0,0]=3 18003 B12R1.1141 CCCN1CCCN(CC1=O)C 2230a_100000708116_200000210301 [0,1,0,1,0,0|2,0,0]=4 18004 B12R1.1141 CCCN1CCCN(CC1=O)C 269982a_100000708116_200000210301 [0,1,0,1,0,0|2,0,0]=4 18005 B12R1.1141 CCCN1CCCN(CC1=O)[13CH3] 2230a_100000708116_200025704644 [0,1,0,1,0,0|2,0,0]=4 18006 B12R1.1141 CCCN1CCCN(CC1=O)[13CH3] 269982a_100000708116_200025704644 [0,1,0,1,0,0|2,0,0]=4 18007 B12R1.1155 CCCN1CC(CC1=O)NCC 2230a_100015185084_100000210202 [0,1,0,1,0,0|2,0,0]=4 18008 B12R1.1155 CCCN1CC(CC1=O)NCC 34a_100015185084_100000210202 [0,1,0,1,0,0|2,0,0]=4 18009 B12R1.2044 CCC#CC(=O)CC1(CCC1)C 1458a_100011827653_100000726658 [0,1,0,1,0,0|1,0,1]=4 18010 B12R1.2044 CCC=CC(=O)CC1(CCC1)C 1458a_100000212282_100000726658 [0,1,0,1,0,0|1,0,1]=4 18011 B12R1.2044 CCCCC(=O)CC1(CCC1)C 1458a_100000210183_100000726658 [0,1,0,1,0,0|1,0,0]=3 18012 B12R1.2044 CCCCC(=O)CC1(COC1)C 1458a_100000210183_100000066812 [0,1,0,1,0,0|2,0,0]=4 18013 B12R1.2044 CCCCC(=O)NC1(CCC1)C 11a_100000692455_100000210183 [0,1,0,1,0,0|2,0,0]=4 18014 B12R1.2044 CCCCC(=O)NC1(CCC1)C 1626a_100000692455_100000210183 [0,1,0,1,0,0|2,0,0]=4 18015 B12R1.2044 CCCCC(=O)NC1(CCC1)C 240690a_100000692455_100000210183 [0,1,0,1,0,0|2,0,0]=4 18016 B12R1.2044 CCCCC(=O)NC1(CCC1)C 527a_100000692455_100000210183 [0,1,0,1,0,0|2,0,0]=4 18017 B12R1.2044 CCCNC(=O)NC1(CCC1)C 2708a_100020643023_100000692455 [0,1,0,1,0,0|2,0,0]=4 18018 B12R1.2044 CCCNC(=O)NC1(CCC1)C 273464a_100000692455_100020643023 [0,1,0,1,0,0|2,0,0]=4 18019 B12R1.2044 CCCNC(=O)NC1(CCC1)C 273464a_100020643023_100000692455 [0,1,0,1,0,0|2,0,0]=4 18020 B12R1.2044 CCCNC(=O)NC1(CCC1)C 512a_100000692455_100020643023 [0,1,0,1,0,0|2,0,0]=4 18021 B12R1.2044 CCCNC(=O)NC1(CCC1)C 512a_100020643023_100000692455 [0,1,0,1,0,0|2,0,0]=4 18022 B12R1.2044 CCOCC(=O)CC1(CCC1)C 1458a_100000211967_100000726658 [0,1,0,1,0,0|2,0,0]=4 18023 B12R1.2044 CCSCC(=O)CC1(CCC1)C 1458a_100000230394_100000726658 [0,1,0,1,0,0|2,0,0]=4 18024 B12R1.2044 COCCC(=O)CC1(CCC1)C 1458a_100000749529_100000726658 [0,1,0,1,0,0|2,0,0]=4 18025 B12R1.2044 CSCCC(=O)CC1(CCC1)C 1458a_100000174002_100000726658 [0,1,0,1,0,0|2,0,0]=4 18026 B12R1.3418 CCCC(=O)CC(=O)C1CC1C 1458a_100000211227_100000747444 [0,1,0,1,0,0|1,0,1]=4 18027 B12R1.3418 CCCC(C)CC(=O)C1CC1C 1458a_100000211227_100011216630 [0,1,0,1,0,0|1,0,0]=3 18028 B12R1.3418 CCCC(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011216630 [0,1,0,1,0,0|2,0,0]=4 18029 B12R1.3418 CCCC(C)NC(=O)C1CC1C 11a_100000741246_100000211227 [0,1,0,1,0,0|2,0,0]=4 18030 B12R1.3418 CCCC(C)NC(=O)C1CC1C 1626a_100000741246_100000211227 [0,1,0,1,0,0|2,0,0]=4 18031 B12R1.3418 CCCC(C)NC(=O)C1CC1C 527a_100000741246_100000211227 [0,1,0,1,0,0|2,0,0]=4 18032 B12R1.18 CCCNC1CCCCNC1=O 2230a_100000698827_100000210303 [0,1,0,1,0,0|2,0,0]=4 18033 B12R1.18 CCCNC1CCCCNC1=O 34a_100000698827_100000210303 [0,1,0,1,0,0|2,0,0]=4 18034 B12R1.18 CCCSC1CCCCCC1=O 62a_100000210303_100000243696 [0,1,0,1,0,0|0,1,0]=3 18035 B12R1.18 CCCSC1CCCCCC1=O 62a_100000243696_100000210303 [0,1,0,1,0,0|0,1,0]=3 18036 B12R1.18 CCCSC1CCCCNC1=O 62a_100000210303_100000735217 [0,1,0,1,0,0|1,1,0]=4 18037 B12R1.18 CCCSC1CCCCNC1=O 62a_100000735217_100000210303 [0,1,0,1,0,0|1,1,0]=4 18038 B12R1.18 COCSC1CCCCCC1=O 62a_100000243696_100000766300 [0,1,0,1,0,0|1,1,0]=4 18039 B12R1.18 COCSC1CCCCCC1=O 62a_100000766300_100000243696 [0,1,0,1,0,0|1,1,0]=4 18040 B12R1.18 CSCSC1CCCCCC1=O 62a_100000243696_100011218213 [0,1,0,1,0,0|1,1,0]=4 18041 B12R1.18 CSCSC1CCCCCC1=O 62a_100011218213_100000243696 [0,1,0,1,0,0|1,1,0]=4 18042 B12R1.18 O=C1CCCCCC1SCCF 62a_100000243696_100011217306 [0,1,0,1,0,0|1,1,0]=4 18043 B12R1.18 O=C1CCCCCC1SCCF 62a_100011217306_100000243696 [0,1,0,1,0,0|1,1,0]=4 18044 B12R1.18 O=C1CCCCCC1SCCO 62a_100000211926_100000243696 [0,1,0,1,0,0|1,1,0]=4 18045 B12R1.18 O=C1CCCCCC1SCCO 62a_100000243696_100000211926 [0,1,0,1,0,0|1,1,0]=4 18046 B12R1.29 CCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210211 [0,1,0,1,0,0|1,0,0]=3 18047 B12R1.29 CCCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210211 [0,1,0,1,0,0|2,0,0]=4 18048 B12R1.29 CCCCC(=O)N1CCC(C1)O 240690a_100011215560_100000210183 [0,1,0,1,0,0|2,0,0]=4 18049 B12R1.29 CCCCC(=O)N1CCC(C1)O 527a_100011215560_100000210183 [0,1,0,1,0,0|2,0,0]=4 18050 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 18051 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 18052 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 18053 B12R1.29 CCCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000210183 [0,1,0,1,0,0|2,0,0]=4 18054 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210183 [0,1,0,1,0,0|2,0,0]=4 18055 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210183 [0,1,0,1,0,0|2,0,0]=4 18056 B12R1.29 CCCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210183 [0,1,0,1,0,0|2,0,0]=4 18057 B12R1.29 CCCNC(=O)C1CCC(C1)O 1626a_100020643023_100000688591 [0,1,0,1,0,0|1,0,0]=3 18058 B12R1.29 CCCNC(=O)C1CCC(C1)O 240690a_100020643023_100000688591 [0,1,0,1,0,0|1,0,0]=3 18059 B12R1.29 CCCNC(=O)C1CCN(C1)C 240690a_100020643023_100000739633 [0,1,0,1,0,0|2,0,0]=4 18060 B12R1.29 CCCNC(=O)C1CCN(C1)C 527a_100020643023_100000739633 [0,1,0,1,0,0|2,0,0]=4 18061 B12R1.29 CCCNC(=O)N1CCC(C1)O 2708a_100020643023_100011215560 [0,1,0,1,0,0|2,0,0]=4 18062 B12R1.29 CCCNC(=O)N1CCC(C1)O 273464a_100020643023_100011215560 [0,1,0,1,0,0|2,0,0]=4 18063 B12R1.29 CCCNC(=O)N1CC[C@@H](C1)F 2708a_100020643023_100015203821 [0,1,0,1,0,0|2,0,0]=4 18064 B12R1.29 CCCNC(=O)N1CC[C@@H](C1)F 273464a_100020643023_100015203821 [0,1,0,1,0,0|2,0,0]=4 18065 B12R1.29 CCCNC(=O)N1CC[C@H](C1)C 2708a_100020643023_100016987628 [0,1,0,1,0,0|2,0,0]=4 18066 B12R1.29 CCCNC(=O)N1CC[C@H](C1)C 273464a_100020643023_100016987628 [0,1,0,1,0,0|2,0,0]=4 18067 B12R1.29 CCNNC(=O)C1CCC(C1)O 22a_100000756455_100000688591 [0,1,0,1,0,0|2,0,0]=4 18068 B12R1.29 COCCC(=O)C1CCC(C1)O 1458a_100000688591_100000233755 [0,1,0,1,0,0|2,0,0]=4 18069 B12R1.29 CSCCC(=O)C1CCC(C1)O 1458a_100000688591_100000751147 [0,1,0,1,0,0|2,0,0]=4 18070 B12R1.29 O=C(CCCF)C1CCC(C1)O 1458a_100000688591_100011934791 [0,1,0,1,0,0|2,0,0]=4 18071 B12R1.29 O=C(CCCO)C1CCC(C1)O 1458a_100000688591_100011215043 [0,1,0,1,0,0|2,0,0]=4 18072 B12R1.29 O=C(NCCF)C1CCC(C1)O 1626a_100000724931_100000688591 [0,1,0,1,0,0|2,0,0]=4 18073 B12R1.29 O=C(NCCF)C1CCC(C1)O 240690a_100000724931_100000688591 [0,1,0,1,0,0|2,0,0]=4 18074 B12R1.29 O=C(NCCO)C1CCC(C1)O 240690a_100000210304_100000688591 [0,1,0,1,0,0|2,0,0]=4 18075 B12R1.30 CCC#CC(=O)C1CCCCC1 1458a_100011827653_100000210327 [0,1,0,1,0,0|1,0,1]=4 18076 B12R1.30 CCC#CC(=O)C1CCCOC1 1458a_100011827653_100000693364 [0,1,0,1,0,0|1,0,1]=4 18077 B12R1.30 CCC#CC(=O)C1CCOCC1 1458a_100011827653_100011324220 [0,1,0,1,0,0|1,0,1]=4 18078 B12R1.30 CCC=CC(=O)C1CCCCC1 1458a_100000212282_100000210327 [0,1,0,1,0,0|1,0,1]=4 18079 B12R1.30 CCC=CC(=O)C1CCCOC1 1458a_100000212282_100000693364 [0,1,0,1,0,0|1,0,1]=4 18080 B12R1.30 CCC=CC(=O)C1CCOCC1 1458a_100000212282_100011324220 [0,1,0,1,0,0|1,0,1]=4 18081 B12R1.30 CCCCC(=O)C1=CCCCC1 1458a_100000765259_100000210211 [0,1,0,1,0,0|1,0,1]=4 18082 B12R1.30 CCCCC(=O)C1=CCCCO1 1458a_100000764163_100000210211 [0,1,0,1,0,0|1,0,1]=4 18083 B12R1.30 CCCCC(=O)C1C=CCCC1 1458a_100000210183_100000751183 [0,1,0,1,0,0|1,0,1]=4 18084 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210183_100000210327 [0,1,0,1,0,0|1,0,0]=3 18085 B12R1.30 CCCCC(=O)C1CCCCC1 1458a_100000210647_100000210211 [0,1,0,1,0,0|1,0,0]=3 18086 B12R1.30 CCCCC(=O)C1CCCCO1 1458a_100000748299_100000210211 [0,1,0,1,0,0|1,0,0]=3 18087 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000210183_100000693364 [0,1,0,1,0,0|1,0,0]=3 18088 B12R1.30 CCCCC(=O)C1CCCOC1 1458a_100000741522_100000210211 [0,1,0,1,0,0|1,0,0]=3 18089 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000195482_100000210211 [0,1,0,1,0,0|1,0,0]=3 18090 B12R1.30 CCCCC(=O)C1CCOCC1 1458a_100000210183_100011324220 [0,1,0,1,0,0|1,0,0]=3 18091 B12R1.30 CCCCC(=O)C1CCSCC1 1458a_100000755232_100000210211 [0,1,0,1,0,0|1,0,0]=3 18092 B12R1.30 CCCCC(=O)C1COCCO1 1458a_100000045528_100000210211 [0,1,0,1,0,0|2,0,0]=4 18093 B12R1.30 CCCCC(=O)C1SCCCS1 1458a_100000028545_100000210211 [0,1,0,1,0,0|2,0,0]=4 18094 B12R1.30 CCCCC(=O)N1CCCOC1 11a_100000131196_100000210183 [0,1,0,1,0,0|2,0,0]=4 18095 B12R1.30 CCCCC(=O)N1CCCOC1 240690a_100000131196_100000210183 [0,1,0,1,0,0|2,0,0]=4 18096 B12R1.30 CCCCC(=O)N1CCOCC1 11a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18097 B12R1.30 CCCCC(=O)N1CCOCC1 1626a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18098 B12R1.30 CCCCC(=O)N1CCOCC1 240690a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18099 B12R1.30 CCCCC(=O)N1CCOCC1 527a_100015191051_100000210183 [0,1,0,1,0,0|2,0,0]=4 18100 B12R1.30 CCCCC(=O)N1CCSCC1 11a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18101 B12R1.30 CCCCC(=O)N1CCSCC1 240690a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18102 B12R1.30 CCCCC(=O)N1CCSCC1 527a_100000737611_100000210183 [0,1,0,1,0,0|2,0,0]=4 18103 B12R1.30 CCCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210211 [0,1,0,1,0,0|1,0,1]=4 18104 B12R1.30 CCCNC(=O)C1=CCCCC1 11a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18105 B12R1.30 CCCNC(=O)C1=CCCCC1 1626a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18106 B12R1.30 CCCNC(=O)C1=CCCCC1 240690a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18107 B12R1.30 CCCNC(=O)C1=CCCCC1 527a_100020643023_100000765259 [0,1,0,1,0,0|1,0,1]=4 18108 B12R1.30 CCCNC(=O)C1CCCCC1 11a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18109 B12R1.30 CCCNC(=O)C1CCCCC1 1626a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18110 B12R1.30 CCCNC(=O)C1CCCCC1 240690a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18111 B12R1.30 CCCNC(=O)C1CCCCC1 527a_100020643023_100000210647 [0,1,0,1,0,0|1,0,0]=3 18112 B12R1.30 CCCNC(=O)C1CCCCO1 11a_100020643023_100000748299 [0,1,0,1,0,0|1,0,0]=3 18113 B12R1.30 CCCNC(=O)C1CCCCO1 1626a_100020643023_100000748299 [0,1,0,1,0,0|1,0,0]=3 18114 B12R1.30 CCCNC(=O)C1CCCCO1 240690a_100020643023_100000748299 [0,1,0,1,0,0|1,0,0]=3 18115 B12R1.30 CCCNC(=O)C1CCCCO1 527a_100020643023_100000748299 [0,1,0,1,0,0|1,0,0]=3 18116 B12R1.30 CCCNC(=O)C1CCCOC1 11a_100020643023_100000741522 [0,1,0,1,0,0|1,0,0]=3 18117 B12R1.30 CCCNC(=O)C1CCCOC1 1626a_100020643023_100000741522 [0,1,0,1,0,0|1,0,0]=3 18118 B12R1.30 CCCNC(=O)C1CCCOC1 240690a_100020643023_100000741522 [0,1,0,1,0,0|1,0,0]=3 18119 B12R1.30 CCCNC(=O)C1CCCOC1 527a_100020643023_100000741522 [0,1,0,1,0,0|1,0,0]=3 18120 B12R1.30 CCCNC(=O)C1CCOCC1 11a_100020643023_100000195482 [0,1,0,1,0,0|1,0,0]=3 18121 B12R1.30 CCCNC(=O)C1CCOCC1 1626a_100020643023_100000195482 [0,1,0,1,0,0|1,0,0]=3 18122 B12R1.30 CCCNC(=O)C1CCOCC1 240690a_100020643023_100000195482 [0,1,0,1,0,0|1,0,0]=3 18123 B12R1.30 CCCNC(=O)C1CCOCC1 527a_100020643023_100000195482 [0,1,0,1,0,0|1,0,0]=3 18124 B12R1.30 CCCNC(=O)C1CCSCC1 11a_100020643023_100000755232 [0,1,0,1,0,0|1,0,0]=3 18125 B12R1.30 CCCNC(=O)C1CCSCC1 1626a_100020643023_100000755232 [0,1,0,1,0,0|1,0,0]=3 18126 B12R1.30 CCCNC(=O)C1CCSCC1 240690a_100020643023_100000755232 [0,1,0,1,0,0|1,0,0]=3 18127 B12R1.30 CCCNC(=O)C1CCSCC1 527a_100020643023_100000755232 [0,1,0,1,0,0|1,0,0]=3 18128 B12R1.30 CCCNC(=O)C1COCCO1 11a_100020643023_100000045528 [0,1,0,1,0,0|2,0,0]=4 18129 B12R1.30 CCCNC(=O)C1COCCO1 1626a_100020643023_100000045528 [0,1,0,1,0,0|2,0,0]=4 18130 B12R1.30 CCCNC(=O)C1COCCO1 240690a_100020643023_100000045528 [0,1,0,1,0,0|2,0,0]=4 18131 B12R1.30 CCCNC(=O)C1COCCO1 527a_100020643023_100000045528 [0,1,0,1,0,0|2,0,0]=4 18132 B12R1.30 CCCNC(=O)C1SCCCS1 11a_100020643023_100000028545 [0,1,0,1,0,0|2,0,0]=4 18133 B12R1.30 CCCNC(=O)C1SCCCS1 1626a_100020643023_100000028545 [0,1,0,1,0,0|2,0,0]=4 18134 B12R1.30 CCCNC(=O)C1SCCCS1 240690a_100020643023_100000028545 [0,1,0,1,0,0|2,0,0]=4 18135 B12R1.30 CCCNC(=O)C1SCCCS1 527a_100020643023_100000028545 [0,1,0,1,0,0|2,0,0]=4 18136 B12R1.30 CCCNC(=O)N1CCCOC1 2708a_100020643023_100000131196 [0,1,0,1,0,0|2,0,0]=4 18137 B12R1.30 CCCNC(=O)N1CCCOC1 273464a_100020643023_100000131196 [0,1,0,1,0,0|2,0,0]=4 18138 B12R1.30 CCCNC(=O)N1CCOCC1 2708a_100020643023_100015191051 [0,1,0,1,0,0|2,0,0]=4 18139 B12R1.30 CCCNC(=O)N1CCOCC1 273464a_100020643023_100015191051 [0,1,0,1,0,0|2,0,0]=4 18140 B12R1.30 CCCNC(=O)N1CCSCC1 2708a_100020643023_100000737611 [0,1,0,1,0,0|2,0,0]=4 18141 B12R1.30 CCCNC(=O)N1CCSCC1 273464a_100020643023_100000737611 [0,1,0,1,0,0|2,0,0]=4 18142 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 11a_100020643023_100009820709 [0,1,0,1,0,0|1,0,1]=4 18143 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 1626a_100020643023_100009820709 [0,1,0,1,0,0|1,0,1]=4 18144 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 240690a_100020643023_100009820709 [0,1,0,1,0,0|1,0,1]=4 18145 B12R1.30 CCCNC(=O)[C@H]1CC=CCC1 527a_100020643023_100009820709 [0,1,0,1,0,0|1,0,1]=4 18146 B12R1.30 CCCOC(C)C1CCCCC1 34a_100011216961_100000210303 [0,1,0,1,0,0|1,0,1]=4 18147 B12R1.30 CCCOC(C)C1CCCCC1 7a_100011216961_100000210303 [0,1,0,1,0,0|1,0,1]=4 18148 B12R1.30 CCCOC(C)C1CCCNC1 34a_100000740858_100000210303 [0,1,0,1,0,0|1,0,1]=4 18149 B12R1.30 CCCOC(C)C1CCNCC1 34a_100011728446_100000210303 [0,1,0,1,0,0|1,0,1]=4 18150 B12R1.30 CCCO[C@H](C)C1CCOCC1 34a_100000703848_100000210303 [0,1,0,1,0,0|1,0,1]=4 18151 B12R1.30 CCCO[C@H](C)C1CCOCC1 7a_100000703848_100000210303 [0,1,0,1,0,0|1,0,1]=4 18152 B12R1.30 CCNCC(=O)C1CCCCC1 2230a_100015525214_100000241979 [0,1,0,1,0,0|2,0,0]=4 18153 B12R1.30 CCNCC(=O)C1CCOCC1 2230a_100015525214_100000689883 [0,1,0,1,0,0|2,0,0]=4 18154 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100000751303_100000210202 [0,1,0,1,0,0|2,0,0]=4 18155 B12R1.30 CCNCC(=O)N1CCCCC1 2230a_100015525214_100000183409 [0,1,0,1,0,0|2,0,0]=4 18156 B12R1.30 CCNNC(=O)C1CCCCC1 22a_100000756455_100000210647 [0,1,0,1,0,0|2,0,0]=4 18157 B12R1.30 CCNNC(=O)C1CCCCO1 22a_100000756455_100000748299 [0,1,0,1,0,0|2,0,0]=4 18158 B12R1.30 CCNNC(=O)C1CCCOC1 22a_100000756455_100000741522 [0,1,0,1,0,0|2,0,0]=4 18159 B12R1.30 CCNNC(=O)C1CCOCC1 22a_100000756455_100000195482 [0,1,0,1,0,0|2,0,0]=4 18160 B12R1.30 CCNNC(=O)C1CCSCC1 22a_100000756455_100000755232 [0,1,0,1,0,0|2,0,0]=4 18161 B12R1.30 CCOCC(=O)C1CCCCC1 1458a_100000211967_100000210327 [0,1,0,1,0,0|2,0,0]=4 18162 B12R1.30 CCOCC(=O)C1CCCCC1 34a_100121572206_100000241979 [0,1,0,1,0,0|2,0,0]=4 18163 B12R1.30 CCOCC(=O)C1CCCOC1 1458a_100000211967_100000693364 [0,1,0,1,0,0|2,0,0]=4 18164 B12R1.30 CCOCC(=O)C1CCOCC1 1458a_100000211967_100011324220 [0,1,0,1,0,0|2,0,0]=4 18165 B12R1.30 CCOCC(=O)C1CCOCC1 34a_100121572206_100000689883 [0,1,0,1,0,0|2,0,0]=4 18166 B12R1.30 CCOCC(=O)N1CCCCC1 34a_100121572206_100000183409 [0,1,0,1,0,0|2,0,0]=4 18167 B12R1.30 CCOCC(=O)N1CCCCC1 7a_100011315646_100000210202 [0,1,0,1,0,0|2,0,0]=4 18168 B12R1.30 CCSCC(=O)C1CCCCC1 1458a_100000230394_100000210327 [0,1,0,1,0,0|2,0,0]=4 18169 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000210202_100000241979 [0,1,0,1,0,0|2,0,0]=4 18170 B12R1.30 CCSCC(=O)C1CCCCC1 62a_100000241979_100000210202 [0,1,0,1,0,0|2,0,0]=4 18171 B12R1.30 CCSCC(=O)C1CCCOC1 1458a_100000230394_100000693364 [0,1,0,1,0,0|2,0,0]=4 18172 B12R1.30 CCSCC(=O)C1CCOCC1 1458a_100000230394_100011324220 [0,1,0,1,0,0|2,0,0]=4 18173 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000210202_100000689883 [0,1,0,1,0,0|2,0,0]=4 18174 B12R1.30 CCSCC(=O)C1CCOCC1 62a_100000689883_100000210202 [0,1,0,1,0,0|2,0,0]=4 18175 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000183409_100000210202 [0,1,0,1,0,0|2,0,0]=4 18176 B12R1.30 CCSCC(=O)N1CCCCC1 62a_100000210202_100000183409 [0,1,0,1,0,0|2,0,0]=4 18177 B12R1.30 CNCCC(=O)N1CCCCC1 2230a_106832991635_100102558178 [0,1,0,1,0,0|2,0,0]=4 18178 B12R1.30 CNCCC(=O)N1CCCCC1 34a_100102657272_100102558178 [0,1,0,1,0,0|2,0,0]=4 18179 B12R1.30 CNCCC(=O)N1CCCCC1 7a_106832991635_100102558178 [0,1,0,1,0,0|2,0,0]=4 18180 B12R1.30 CNCOC(=O)C1CCCCC1 2230a_106832991635_100009893799 [0,1,0,1,0,0|1,0,0]=3 18181 B12R1.30 CNCOC(=O)C1CCCCC1 34a_100102657272_100009893799 [0,1,0,1,0,0|1,0,0]=3 18182 B12R1.30 CNCOC(=O)N1CCOCC1 2230a_106832991635_100009898760 [0,1,0,1,0,0|2,0,0]=4 18183 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000210647_100000233755 [0,1,0,1,0,0|2,0,0]=4 18184 B12R1.30 COCCC(=O)C1CCCCC1 1458a_100000749529_100000210327 [0,1,0,1,0,0|2,0,0]=4 18185 B12R1.30 COCCC(=O)C1CCCCO1 1458a_100000748299_100000233755 [0,1,0,1,0,0|2,0,0]=4 18186 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000741522_100000233755 [0,1,0,1,0,0|2,0,0]=4 18187 B12R1.30 COCCC(=O)C1CCCOC1 1458a_100000749529_100000693364 [0,1,0,1,0,0|2,0,0]=4 18188 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000195482_100000233755 [0,1,0,1,0,0|2,0,0]=4 18189 B12R1.30 COCCC(=O)C1CCOCC1 1458a_100000749529_100011324220 [0,1,0,1,0,0|2,0,0]=4 18190 B12R1.30 COCCC(=O)C1CCSCC1 1458a_100000755232_100000233755 [0,1,0,1,0,0|2,0,0]=4 18191 B12R1.30 COCCC(=O)N1CCCCC1 34a_100138415774_100102558178 [0,1,0,1,0,0|2,0,0]=4 18192 B12R1.30 COCOC(=O)C1CCCCC1 34a_100138415774_100009893799 [0,1,0,1,0,0|1,0,0]=3 18193 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000174002_100000210327 [0,1,0,1,0,0|2,0,0]=4 18194 B12R1.30 CSCCC(=O)C1CCCCC1 1458a_100000210647_100000751147 [0,1,0,1,0,0|2,0,0]=4 18195 B12R1.30 CSCCC(=O)C1CCCCO1 1458a_100000748299_100000751147 [0,1,0,1,0,0|2,0,0]=4 18196 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000174002_100000693364 [0,1,0,1,0,0|2,0,0]=4 18197 B12R1.30 CSCCC(=O)C1CCCOC1 1458a_100000741522_100000751147 [0,1,0,1,0,0|2,0,0]=4 18198 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000174002_100011324220 [0,1,0,1,0,0|2,0,0]=4 18199 B12R1.30 CSCCC(=O)C1CCOCC1 1458a_100000195482_100000751147 [0,1,0,1,0,0|2,0,0]=4 18200 B12R1.30 CSCCC(=O)C1CCSCC1 1458a_100000755232_100000751147 [0,1,0,1,0,0|2,0,0]=4 18201 B12R1.30 CSCCC(=O)N1CCCCC1 62a_100102558178_200000210301 [0,1,0,1,0,0|2,0,0]=4 18202 B12R1.30 CSCCC(=O)N1CCCCC1 62a_200000210301_100102558178 [0,1,0,1,0,0|2,0,0]=4 18203 B12R1.30 CSCOC(=O)C1CCCCC1 62a_100009893799_200000210301 [0,1,0,1,0,0|1,0,0]=3 18204 B12R1.30 CSCOC(=O)C1CCCCC1 62a_200000210301_100009893799 [0,1,0,1,0,0|1,0,0]=3 18205 B12R1.30 CSCOC(=O)N1CCOCC1 62a_100009898760_200000210301 [0,1,0,1,0,0|2,0,0]=4 18206 B12R1.30 CSCOC(=O)N1CCOCC1 62a_200000210301_100009898760 [0,1,0,1,0,0|2,0,0]=4 18207 B12R1.30 O=C(CCCF)C1CCCCC1 1458a_100000210647_100011934791 [0,1,0,1,0,0|2,0,0]=4 18208 B12R1.30 O=C(CCCF)C1CCCCO1 1458a_100000748299_100011934791 [0,1,0,1,0,0|2,0,0]=4 18209 B12R1.30 O=C(CCCF)C1CCCOC1 1458a_100000741522_100011934791 [0,1,0,1,0,0|2,0,0]=4 18210 B12R1.30 O=C(CCCF)C1CCOCC1 1458a_100000195482_100011934791 [0,1,0,1,0,0|2,0,0]=4 18211 B12R1.30 O=C(CCCF)C1CCSCC1 1458a_100000755232_100011934791 [0,1,0,1,0,0|2,0,0]=4 18212 B12R1.30 O=C(CCCO)C1CCCCC1 1458a_100000210647_100011215043 [0,1,0,1,0,0|2,0,0]=4 18213 B12R1.30 O=C(CCCO)C1CCCCO1 1458a_100000748299_100011215043 [0,1,0,1,0,0|2,0,0]=4 18214 B12R1.30 O=C(CCCO)C1CCCOC1 1458a_100000741522_100011215043 [0,1,0,1,0,0|2,0,0]=4 18215 B12R1.30 O=C(CCCO)C1CCOCC1 1458a_100000195482_100011215043 [0,1,0,1,0,0|2,0,0]=4 18216 B12R1.30 O=C(CCCO)C1CCSCC1 1458a_100000755232_100011215043 [0,1,0,1,0,0|2,0,0]=4 18217 B12R1.30 O=C(NCCF)C1CCCCC1 11a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18218 B12R1.30 O=C(NCCF)C1CCCCC1 1626a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18219 B12R1.30 O=C(NCCF)C1CCCCC1 240690a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18220 B12R1.30 O=C(NCCF)C1CCCCC1 527a_100000724931_100000210647 [0,1,0,1,0,0|2,0,0]=4 18221 B12R1.30 O=C(NCCF)C1CCCCO1 11a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18222 B12R1.30 O=C(NCCF)C1CCCCO1 1626a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18223 B12R1.30 O=C(NCCF)C1CCCCO1 240690a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18224 B12R1.30 O=C(NCCF)C1CCCCO1 527a_100000724931_100000748299 [0,1,0,1,0,0|2,0,0]=4 18225 B12R1.30 O=C(NCCF)C1CCCOC1 11a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18226 B12R1.30 O=C(NCCF)C1CCCOC1 1626a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18227 B12R1.30 O=C(NCCF)C1CCCOC1 240690a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18228 B12R1.30 O=C(NCCF)C1CCCOC1 527a_100000724931_100000741522 [0,1,0,1,0,0|2,0,0]=4 18229 B12R1.30 O=C(NCCF)C1CCOCC1 11a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18230 B12R1.30 O=C(NCCF)C1CCOCC1 1626a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18231 B12R1.30 O=C(NCCF)C1CCOCC1 240690a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18232 B12R1.30 O=C(NCCF)C1CCOCC1 527a_100000724931_100000195482 [0,1,0,1,0,0|2,0,0]=4 18233 B12R1.30 O=C(NCCF)C1CCSCC1 11a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18234 B12R1.30 O=C(NCCF)C1CCSCC1 1626a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18235 B12R1.30 O=C(NCCF)C1CCSCC1 240690a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18236 B12R1.30 O=C(NCCF)C1CCSCC1 527a_100000724931_100000755232 [0,1,0,1,0,0|2,0,0]=4 18237 B12R1.30 O=C(NCCO)C1CCCCC1 240690a_100000210304_100000210647 [0,1,0,1,0,0|2,0,0]=4 18238 B12R1.30 O=C(NCCO)C1CCCCC1 527a_100000210304_100000210647 [0,1,0,1,0,0|2,0,0]=4 18239 B12R1.30 O=C(NCCO)C1CCCCO1 240690a_100000210304_100000748299 [0,1,0,1,0,0|2,0,0]=4 18240 B12R1.30 O=C(NCCO)C1CCCCO1 527a_100000210304_100000748299 [0,1,0,1,0,0|2,0,0]=4 18241 B12R1.30 O=C(NCCO)C1CCCOC1 240690a_100000210304_100000741522 [0,1,0,1,0,0|2,0,0]=4 18242 B12R1.30 O=C(NCCO)C1CCCOC1 527a_100000210304_100000741522 [0,1,0,1,0,0|2,0,0]=4 18243 B12R1.30 O=C(NCCO)C1CCOCC1 240690a_100000210304_100000195482 [0,1,0,1,0,0|2,0,0]=4 18244 B12R1.30 O=C(NCCO)C1CCOCC1 527a_100000210304_100000195482 [0,1,0,1,0,0|2,0,0]=4 18245 B12R1.30 O=C(NCCO)C1CCSCC1 240690a_100000210304_100000755232 [0,1,0,1,0,0|2,0,0]=4 18246 B12R1.30 O=C(NCCO)C1CCSCC1 527a_100000210304_100000755232 [0,1,0,1,0,0|2,0,0]=4 18247 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_100102558178_200025704644 [0,1,0,1,0,0|2,0,0]=4 18248 B12R1.30 [13CH3]SCCC(=O)N1CCCCC1 62a_200025704644_100102558178 [0,1,0,1,0,0|2,0,0]=4 18249 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_100009893799_200025704644 [0,1,0,1,0,0|1,0,0]=3 18250 B12R1.30 [13CH3]SCOC(=O)C1CCCCC1 62a_200025704644_100009893799 [0,1,0,1,0,0|1,0,0]=3 18251 B12R1.30 [13CH3]SCOC(=O)N1CCOCC1 62a_100009898760_200025704644 [0,1,0,1,0,0|2,0,0]=4 18252 B12R1.30 [13CH3]SCOC(=O)N1CCOCC1 62a_200025704644_100009898760 [0,1,0,1,0,0|2,0,0]=4 18253 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 2230a_100016991869_100000210211 [0,1,0,1,0,0|1,0,1]=4 18254 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 269982a_100016991869_100000210211 [0,1,0,1,0,0|1,0,1]=4 18255 B12R1.374 CCCCN1C[C@H](OC[C@H]1C)C 34a_100016991869_100000210210 [0,1,0,1,0,0|1,0,1]=4 18256 B12R1.374 CCCOC1CC(CCC1C)C 34a_100011217446_100000210303 [0,1,0,1,0,0|1,0,1]=4 18257 B12R1.374 CCCOC1CC(CCC1C)C 7a_100011217446_100000210303 [0,1,0,1,0,0|1,0,1]=4 18258 B12R1.912 CCCCC(=O)N(C)C1CCC1 11a_100000758072_100000210183 [0,1,0,1,0,0|2,0,0]=4 18259 B12R1.912 CCCCC(=O)N(C)C1CCC1 1626a_100000758072_100000210183 [0,1,0,1,0,0|2,0,0]=4 18260 B12R1.912 CCCCC(=O)N(C)C1CCC1 240690a_100000758072_100000210183 [0,1,0,1,0,0|2,0,0]=4 18261 B12R1.912 CCCCC(=O)N(C)C1CCC1 527a_100000758072_100000210183 [0,1,0,1,0,0|2,0,0]=4 18262 B12R1.912 CCCCC(C)C(=O)C1CCC1 1458a_100000209988_200011215066 [0,1,0,1,0,0|1,0,0]=3 18263 B12R1.912 CCCCC(C)C(=O)C1CCC1 1458a_100000725509_100000749161 [0,1,0,1,0,0|1,0,0]=3 18264 B12R1.912 CCCCC(C)C(=O)C1CCO1 1458a_100000089072_200011215066 [0,1,0,1,0,0|2,0,0]=4 18265 B12R1.912 CCCCC(C)C(=O)C1COC1 1458a_100000725509_100000687716 [0,1,0,1,0,0|2,0,0]=4 18266 B12R1.912 CCCCC(C)C(=O)C1COC1 1458a_100000758290_200011215066 [0,1,0,1,0,0|2,0,0]=4 18267 B12R1.912 CCCCC(C)C(=O)N1CCC1 11a_100000754969_100000725509 [0,1,0,1,0,0|1,0,0]=3 18268 B12R1.912 CCCCC(C)C(=O)N1CCC1 240690a_100000754969_100000725509 [0,1,0,1,0,0|1,0,0]=3 18269 B12R1.912 CCCCC(C)C(=O)N1CCC1 527a_100000754969_100000725509 [0,1,0,1,0,0|1,0,0]=3 18270 B12R1.912 CCCCC(O)C(=O)C1CCC1 1458a_100000720857_100000749161 [0,1,0,1,0,0|1,0,0]=3 18271 B12R1.912 CCCCC(O)C(=O)C1COC1 1458a_100000720857_100000687716 [0,1,0,1,0,0|2,0,0]=4 18272 B12R1.912 CCCCC(O)C(=O)N1CCC1 240690a_100000754969_100000720857 [0,1,0,1,0,0|1,0,0]=3 18273 B12R1.912 CCCCC(O)C(=O)N1CCC1 527a_100000754969_100000720857 [0,1,0,1,0,0|1,0,0]=3 18274 B12R1.912 CCCCN(C)C(=O)C1CCC1 11a_100000207549_100000209988 [0,1,0,1,0,0|2,0,0]=4 18275 B12R1.912 CCCCN(C)C(=O)C1CCC1 1626a_100000207549_100000209988 [0,1,0,1,0,0|2,0,0]=4 18276 B12R1.912 CCCCN(C)C(=O)C1CCC1 240690a_100000207549_100000209988 [0,1,0,1,0,0|2,0,0]=4 18277 B12R1.912 CCCCN(C)C(=O)C1CCC1 527a_100000207549_100000209988 [0,1,0,1,0,0|2,0,0]=4 18278 B12R1.912 CCCNC(=O)C(=O)C1CCC1 1458a_200011297150_100000749161 [0,1,0,1,0,0|1,0,1]=4 18279 B12R1.912 CCCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230305 [0,1,0,1,0,0|2,0,0]=4 18280 B12R1.912 CCCNC(=O)N(C)C1CCC1 2708a_100020643023_100000758072 [0,1,0,1,0,0|2,0,0]=4 18281 B12R1.912 CCCNC(=O)N(C)C1CCC1 273464a_100020643023_100000758072 [0,1,0,1,0,0|2,0,0]=4 18282 B12R1.912 CCCOC(=O)C(C)N1CCC1 269982a_100000754969_100000760410 [0,1,0,1,0,0|1,0,0]=3 18283 B12R1.912 CSCCC(O)C(=O)C1CCC1 1458a_100000685904_100000749161 [0,1,0,1,0,0|2,0,0]=4 18284 B12R1.912 CSCCC(O)C(=O)N1CCC1 240690a_100000754969_100000685904 [0,1,0,1,0,0|2,0,0]=4 18285 B12R1.914 CCCCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210211 [0,1,0,1,0,0|1,0,1]=4 18286 B12R1.914 CCCCC(=O)N(C)CC1CC1 11a_100000741881_100000210183 [0,1,0,1,0,0|2,0,0]=4 18287 B12R1.914 CCCCC(=O)N(C)CC1CC1 1626a_100000741881_100000210183 [0,1,0,1,0,0|2,0,0]=4 18288 B12R1.914 CCCCC(=O)N(C)CC1CC1 240690a_100000741881_100000210183 [0,1,0,1,0,0|2,0,0]=4 18289 B12R1.914 CCCCC(=O)N(C)CC1CC1 527a_100000741881_100000210183 [0,1,0,1,0,0|2,0,0]=4 18290 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000725509_100000742324 [0,1,0,1,0,0|1,0,0]=3 18291 B12R1.914 CCCCC(C)C(=O)CC1CC1 1458a_100000738066_200011215066 [0,1,0,1,0,0|1,0,0]=3 18292 B12R1.914 CCCCC(C)C(=O)CC1CO1 1458a_100000725509_100011216344 [0,1,0,1,0,0|2,0,0]=4 18293 B12R1.914 CCCCC(C)C(=O)CC1CS1 1458a_100000725509_100000031435 [0,1,0,1,0,0|2,0,0]=4 18294 B12R1.914 CCCCC(C)C(=O)C[C@@H]1CO1 1458a_100000725509_100000745022 [0,1,0,1,0,0|2,0,0]=4 18295 B12R1.914 CCCCC(C)C(=O)NC1CC1 1626a_100000212008_100000725509 [0,1,0,1,0,0|1,0,0]=3 18296 B12R1.914 CCCCC(C)C(=O)NC1CC1 240690a_100000212008_100000725509 [0,1,0,1,0,0|1,0,0]=3 18297 B12R1.914 CCCCC(C)C(=O)NC1CC1 527a_100000212008_100000725509 [0,1,0,1,0,0|1,0,0]=3 18298 B12R1.914 CCCCC(O)C(=O)CC1CC1 1458a_100000720857_100000742324 [0,1,0,1,0,0|1,0,0]=3 18299 B12R1.914 CCCCC(O)C(=O)CC1CO1 1458a_100000720857_100011216344 [0,1,0,1,0,0|2,0,0]=4 18300 B12R1.914 CCCCC(O)C(=O)CC1CS1 1458a_100000720857_100000031435 [0,1,0,1,0,0|2,0,0]=4 18301 B12R1.914 CCCCC(O)C(=O)C[C@@H]1CO1 1458a_100000720857_100000745022 [0,1,0,1,0,0|2,0,0]=4 18302 B12R1.914 CCCCC(O)C(=O)NC1CC1 240690a_100000212008_100000720857 [0,1,0,1,0,0|1,0,0]=3 18303 B12R1.914 CCCCC(O)C(=O)NC1CC1 527a_100000212008_100000720857 [0,1,0,1,0,0|1,0,0]=3 18304 B12R1.914 CCCCN(C)C(=O)CC1CC1 11a_100000207549_100000738066 [0,1,0,1,0,0|2,0,0]=4 18305 B12R1.914 CCCCN(C)C(=O)CC1CC1 1626a_100000207549_100000738066 [0,1,0,1,0,0|2,0,0]=4 18306 B12R1.914 CCCCN(C)C(=O)CC1CC1 240690a_100000207549_100000738066 [0,1,0,1,0,0|2,0,0]=4 18307 B12R1.914 CCCCN(C)C(=O)CC1CC1 527a_100000207549_100000738066 [0,1,0,1,0,0|2,0,0]=4 18308 B12R1.914 CCCCN(C)C(=O)NC1CC1 2708a_100000212008_100000207549 [0,1,0,1,0,0|2,0,0]=4 18309 B12R1.914 CCCCN(C)C(=O)NC1CC1 273464a_100000212008_100000207549 [0,1,0,1,0,0|2,0,0]=4 18310 B12R1.914 CCCNC(=O)C(=O)CC1CC1 1458a_200011297150_100000742324 [0,1,0,1,0,0|1,0,1]=4 18311 B12R1.914 CCCNC(=O)C(C)NC1CC1 34a_100000212008_100000230305 [0,1,0,1,0,0|2,0,0]=4 18312 B12R1.914 CCCNC(=O)C(C)NC1CC1 34a_100025744714_100000211595 [0,1,0,1,0,0|2,0,0]=4 18313 B12R1.914 CCCNC(=O)C(C)SC1CC1 62a_100000230305_100000211595 [0,1,0,1,0,0|2,0,0]=4 18314 B12R1.914 CCCNC(=O)N(C)CC1CC1 2708a_100020643023_100000741881 [0,1,0,1,0,0|2,0,0]=4 18315 B12R1.914 CCCNC(=O)N(C)CC1CC1 273464a_100020643023_100000741881 [0,1,0,1,0,0|2,0,0]=4 18316 B12R1.914 CCCOC(=O)C(C)NC1CC1 34a_100000212008_100000760410 [0,1,0,1,0,0|1,0,0]=3 18317 B12R1.914 CCCOC(=O)C(C)OC1CC1 34a_100000037348_100000211595 [0,1,0,1,0,0|1,0,0]=3 18318 B12R1.914 CCCOC(=O)C(C)SC1CC1 62a_100000760410_100000211595 [0,1,0,1,0,0|1,0,0]=3 18319 B12R1.914 CCCOC(C)C(=O)NC1CC1 34a_100000210258_100000179742 [0,1,0,1,0,0|2,0,0]=4 18320 B12R1.914 CCCSC(C)C(=O)NC1CC1 62a_100000179742_100000210303 [0,1,0,1,0,0|2,0,0]=4 18321 B12R1.914 CCCSC(C)C(=O)NC1CC1 62a_100000210303_100000179742 [0,1,0,1,0,0|2,0,0]=4 18322 B12R1.914 CSCCC(O)C(=O)CC1CC1 1458a_100000685904_100000742324 [0,1,0,1,0,0|2,0,0]=4 18323 B12R1.914 CSCCC(O)C(=O)NC1CC1 240690a_100000212008_100000685904 [0,1,0,1,0,0|2,0,0]=4 18324 B12R1.2022 CC1(CCCC1)C(=O)CCCF 1458a_100000239728_100011934791 [0,1,0,1,0,0|2,0,0]=4 18325 B12R1.2022 CC1(CCCC1)C(=O)CCCO 1458a_100000239728_100011215043 [0,1,0,1,0,0|2,0,0]=4 18326 B12R1.2022 CC1(CCCC1)C(=O)NCCF 11a_100000724931_100000239728 [0,1,0,1,0,0|2,0,0]=4 18327 B12R1.2022 CC1(CCCC1)C(=O)NCCF 1626a_100000724931_100000239728 [0,1,0,1,0,0|2,0,0]=4 18328 B12R1.2022 CC1(CCCC1)C(=O)NCCF 240690a_100000724931_100000239728 [0,1,0,1,0,0|2,0,0]=4 18329 B12R1.2022 CC1(CCCC1)C(=O)NCCF 527a_100000724931_100000239728 [0,1,0,1,0,0|2,0,0]=4 18330 B12R1.2022 CC1(CCCC1)C(=O)NCCO 240690a_100000210304_100000239728 [0,1,0,1,0,0|2,0,0]=4 18331 B12R1.2022 CC1(CCCC1)C(=O)NCCO 527a_100000210304_100000239728 [0,1,0,1,0,0|2,0,0]=4 18332 B12R1.2022 CCCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210211 [0,1,0,1,0,0|1,0,0]=3 18333 B12R1.2022 CCCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210211 [0,1,0,1,0,0|1,0,0]=3 18334 B12R1.2022 CCCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210211 [0,1,0,1,0,0|2,0,0]=4 18335 B12R1.2022 CCCNC(=O)C1(CCCC1)C 11a_100020643023_100000239728 [0,1,0,1,0,0|1,0,0]=3 18336 B12R1.2022 CCCNC(=O)C1(CCCC1)C 1626a_100020643023_100000239728 [0,1,0,1,0,0|1,0,0]=3 18337 B12R1.2022 CCCNC(=O)C1(CCCC1)C 240690a_100020643023_100000239728 [0,1,0,1,0,0|1,0,0]=3 18338 B12R1.2022 CCCNC(=O)C1(CCCC1)C 527a_100020643023_100000239728 [0,1,0,1,0,0|1,0,0]=3 18339 B12R1.2022 CCCNC(=O)C1(CCCC1)O 240690a_100020643023_100000242637 [0,1,0,1,0,0|1,0,0]=3 18340 B12R1.2022 CCCNC(=O)C1(CCCC1)O 527a_100020643023_100000242637 [0,1,0,1,0,0|1,0,0]=3 18341 B12R1.2022 CCCNC(=O)C1(CCCO1)C 11a_100020643023_100000684770 [0,1,0,1,0,0|2,0,0]=4 18342 B12R1.2022 CCCNC(=O)C1(CCCO1)C 1626a_100020643023_100000684770 [0,1,0,1,0,0|2,0,0]=4 18343 B12R1.2022 CCCNC(=O)C1(CCCO1)C 240690a_100020643023_100000684770 [0,1,0,1,0,0|2,0,0]=4 18344 B12R1.2022 CCCNC(=O)C1(CCCO1)C 527a_100020643023_100000684770 [0,1,0,1,0,0|2,0,0]=4 18345 B12R1.2022 CCNNC(=O)C1(CCCC1)C 22a_100000756455_100000239728 [0,1,0,1,0,0|2,0,0]=4 18346 B12R1.2022 CCNNC(=O)C1(CCCC1)O 22a_100000756455_100000242637 [0,1,0,1,0,0|2,0,0]=4 18347 B12R1.2022 COCCC(=O)C1(CCCC1)C 1458a_100000239728_100000233755 [0,1,0,1,0,0|2,0,0]=4 18348 B12R1.2022 COCCC(=O)C1(CCCC1)O 1458a_100000242637_100000233755 [0,1,0,1,0,0|2,0,0]=4 18349 B12R1.2022 CSCCC(=O)C1(CCCC1)C 1458a_100000239728_100000751147 [0,1,0,1,0,0|2,0,0]=4 18350 B12R1.2022 CSCCC(=O)C1(CCCC1)O 1458a_100000242637_100000751147 [0,1,0,1,0,0|2,0,0]=4 18351 B12R1.2022 O=C(CCCF)C1(CCCC1)O 1458a_100000242637_100011934791 [0,1,0,1,0,0|2,0,0]=4 18352 B12R1.2022 O=C(CCCO)C1(CCCC1)O 1458a_100000242637_100011215043 [0,1,0,1,0,0|2,0,0]=4 18353 B12R1.2022 O=C(NCCF)C1(CCCC1)O 240690a_100000724931_100000242637 [0,1,0,1,0,0|2,0,0]=4 18354 B12R1.2022 O=C(NCCF)C1(CCCC1)O 527a_100000724931_100000242637 [0,1,0,1,0,0|2,0,0]=4 18355 B12R1.2022 O=C(NCCO)C1(CCCC1)O 240690a_100000210304_100000242637 [0,1,0,1,0,0|2,0,0]=4 18356 B12R1.2022 O=C(NCCO)C1(CCCC1)O 527a_100000210304_100000242637 [0,1,0,1,0,0|2,0,0]=4 18357 B12R1.2025 CCCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210211 [0,1,0,1,0,0|2,0,0]=4 18358 B12R1.2025 CCCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210211 [0,1,0,1,0,0|2,0,0]=4 18359 B12R1.2025 CCCCC(=O)N1CC(C1)CC 11a_100015205115_100000210183 [0,1,0,1,0,0|2,0,0]=4 18360 B12R1.2025 CCCCC(=O)N1CC(C1)CC 1626a_100015205115_100000210183 [0,1,0,1,0,0|2,0,0]=4 18361 B12R1.2025 CCCCC(=O)N1CC(C1)CC 240690a_100015205115_100000210183 [0,1,0,1,0,0|2,0,0]=4 18362 B12R1.2025 CCCCC(=O)N1CC(C1)CC 527a_100015205115_100000210183 [0,1,0,1,0,0|2,0,0]=4 18363 B12R1.2025 CCCNC(=O)C1CC(C1)CO 1626a_100020643023_206645079618 [0,1,0,1,0,0|2,0,0]=4 18364 B12R1.2025 CCCNC(=O)C1CC(C1)OC 11a_100020643023_100011999411 [0,1,0,1,0,0|2,0,0]=4 18365 B12R1.2025 CCCNC(=O)C1CC(C1)OC 1626a_100020643023_100011999411 [0,1,0,1,0,0|2,0,0]=4 18366 B12R1.2025 CCCNC(=O)C1CC(C1)OC 240690a_100020643023_100011999411 [0,1,0,1,0,0|2,0,0]=4 18367 B12R1.2025 CCCNC(=O)C1CC(C1)OC 527a_100020643023_100011999411 [0,1,0,1,0,0|2,0,0]=4 18368 B12R1.2025 CCCNC(=O)N1CC(C1)CC 2708a_100020643023_100015205115 [0,1,0,1,0,0|2,0,0]=4 18369 B12R1.2025 CCCNC(=O)N1CC(C1)CC 273464a_100020643023_100015205115 [0,1,0,1,0,0|2,0,0]=4 18370 B12R1.2804 CCCCC(C)C(=O)C1CC1C 1458a_100000211227_200011215066 [0,1,0,1,0,0|1,0,0]=3 18371 B12R1.2804 CCCCC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200011215066 [0,1,0,1,0,0|2,0,0]=4 18372 B12R1.2804 CCCCN(C)C(=O)C1CC1C 11a_100000207549_100000211227 [0,1,0,1,0,0|2,0,0]=4 18373 B12R1.2804 CCCCN(C)C(=O)C1CC1C 1626a_100000207549_100000211227 [0,1,0,1,0,0|2,0,0]=4 18374 B12R1.2804 CCCCN(C)C(=O)C1CC1C 527a_100000207549_100000211227 [0,1,0,1,0,0|2,0,0]=4 18375 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_100000210718_100000730704 [0,1,0,1,0,0|1,0,1]=4 18376 B12R1.54 C=C(C)CCC(=O)C1CCCC1 1458a_200000688413_100000179811 [0,1,0,1,0,0|1,0,1]=4 18377 B12R1.54 C=C(C)CNC(=O)C1CCCC1 11a_100000765925_100000210718 [0,1,0,1,0,0|1,0,1]=4 18378 B12R1.54 C=C(C)CNC(=O)C1CCCC1 1626a_100000765925_100000210718 [0,1,0,1,0,0|1,0,1]=4 18379 B12R1.54 C=C(C)CNC(=O)C1CCCC1 240690a_100000765925_100000210718 [0,1,0,1,0,0|1,0,1]=4 18380 B12R1.54 C=C(C)CNC(=O)C1CCCC1 527a_100000765925_100000210718 [0,1,0,1,0,0|1,0,1]=4 18381 B12R1.54 CC(C)C=CC(=O)C1CCCC1 1458a_100016268746_100000179811 [0,1,0,1,0,0|1,0,1]=4 18382 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000181311_100000179811 [0,1,0,1,0,0|1,0,0]=3 18383 B12R1.54 CC(C)CCC(=O)C1CCCC1 1458a_100000210718_100000210312 [0,1,0,1,0,0|1,0,0]=3 18384 B12R1.54 CC(C)CCC(=O)C1CCCS1 1458a_100012002731_100000210312 [0,1,0,1,0,0|2,0,0]=4 18385 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100000181311_100000690089 [0,1,0,1,0,0|2,0,0]=4 18386 B12R1.54 CC(C)CCC(=O)C1CCOC1 1458a_100011219752_100000210312 [0,1,0,1,0,0|2,0,0]=4 18387 B12R1.54 CC(C)CCC(=O)N1CCCC1 240690a_100000188435_100000181311 [0,1,0,1,0,0|2,0,0]=4 18388 B12R1.54 CC(C)CCC(=O)N1CCCC1 527a_100000188435_100000181311 [0,1,0,1,0,0|2,0,0]=4 18389 B12R1.54 CC(C)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210312 [0,1,0,1,0,0|2,0,0]=4 18390 B12R1.54 CC(C)CNC(=O)C1CCCC1 11a_100000210953_100000210718 [0,1,0,1,0,0|1,0,0]=3 18391 B12R1.54 CC(C)CNC(=O)C1CCCC1 1626a_100000210953_100000210718 [0,1,0,1,0,0|1,0,0]=3 18392 B12R1.54 CC(C)CNC(=O)C1CCCC1 240690a_100000210953_100000210718 [0,1,0,1,0,0|1,0,0]=3 18393 B12R1.54 CC(C)CNC(=O)C1CCCC1 527a_100000210953_100000210718 [0,1,0,1,0,0|1,0,0]=3 18394 B12R1.54 CC(C)CNC(=O)C1CCCS1 11a_100000210953_100012002731 [0,1,0,1,0,0|2,0,0]=4 18395 B12R1.54 CC(C)CNC(=O)C1CCCS1 1626a_100000210953_100012002731 [0,1,0,1,0,0|2,0,0]=4 18396 B12R1.54 CC(C)CNC(=O)C1CCCS1 240690a_100000210953_100012002731 [0,1,0,1,0,0|2,0,0]=4 18397 B12R1.54 CC(C)CNC(=O)C1CCCS1 527a_100000210953_100012002731 [0,1,0,1,0,0|2,0,0]=4 18398 B12R1.54 CC(C)CNC(=O)C1CCOC1 11a_100000210953_100011219752 [0,1,0,1,0,0|2,0,0]=4 18399 B12R1.54 CC(C)CNC(=O)C1CCOC1 1626a_100000210953_100011219752 [0,1,0,1,0,0|2,0,0]=4 18400 B12R1.54 CC(C)CNC(=O)C1CCOC1 240690a_100000210953_100011219752 [0,1,0,1,0,0|2,0,0]=4 18401 B12R1.54 CC(C)CNC(=O)C1CCOC1 527a_100000210953_100011219752 [0,1,0,1,0,0|2,0,0]=4 18402 B12R1.54 CC(C)CNC(=O)N1CCCC1 2708a_100000210953_100000188435 [0,1,0,1,0,0|2,0,0]=4 18403 B12R1.54 CC(C)CNC(=O)N1CCCC1 273464a_100000210953_100000188435 [0,1,0,1,0,0|2,0,0]=4 18404 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 11a_100000210953_100000686382 [0,1,0,1,0,0|2,0,0]=4 18405 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 1626a_100000210953_100000686382 [0,1,0,1,0,0|2,0,0]=4 18406 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 240690a_100000210953_100000686382 [0,1,0,1,0,0|2,0,0]=4 18407 B12R1.54 CC(C)CNC(=O)[C@@H]1CCCO1 527a_100000210953_100000686382 [0,1,0,1,0,0|2,0,0]=4 18408 B12R1.54 CC(C)COC(C)C1CCCC1 34a_100011216366_100000210624 [0,1,0,1,0,0|1,0,1]=4 18409 B12R1.54 CC(C)COC(C)C1CCCC1 7a_100011216366_100000210760 [0,1,0,1,0,0|1,0,1]=4 18410 B12R1.54 CC(C)NNC(=O)C1CCCC1 22a_100000741168_100000210718 [0,1,0,1,0,0|2,0,0]=4 18411 B12R1.54 CC(C)OCC(=O)C1CCCC1 1458a_100000745533_100000179811 [0,1,0,1,0,0|2,0,0]=4 18412 B12R1.54 CC(C)SCC(=O)C1CCCC1 1458a_100000241585_100000179811 [0,1,0,1,0,0|2,0,0]=4 18413 B12R1.54 CC(O)CCC(=O)C1CCCC1 1458a_100000210718_100012276601 [0,1,0,1,0,0|1,0,0]=3 18414 B12R1.54 CC(O)CCC(=O)C1CCCS1 1458a_100012002731_100012276601 [0,1,0,1,0,0|2,0,0]=4 18415 B12R1.54 CC(O)CCC(=O)C1CCOC1 1458a_100011219752_100012276601 [0,1,0,1,0,0|2,0,0]=4 18416 B12R1.54 CC(O)CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100012276601 [0,1,0,1,0,0|2,0,0]=4 18417 B12R1.54 CC(O)CNC(=O)C1CCCC1 11a_100000210904_100000210718 [0,1,0,1,0,0|1,0,0]=3 18418 B12R1.54 CC(O)CNC(=O)C1CCCC1 240690a_100000210904_100000210718 [0,1,0,1,0,0|1,0,0]=3 18419 B12R1.54 CC(O)CNC(=O)C1CCCC1 527a_100000210904_100000210718 [0,1,0,1,0,0|1,0,0]=3 18420 B12R1.54 CC(O)CNC(=O)C1CCCS1 11a_100000210904_100012002731 [0,1,0,1,0,0|2,0,0]=4 18421 B12R1.54 CC(O)CNC(=O)C1CCCS1 240690a_100000210904_100012002731 [0,1,0,1,0,0|2,0,0]=4 18422 B12R1.54 CC(O)CNC(=O)C1CCCS1 527a_100000210904_100012002731 [0,1,0,1,0,0|2,0,0]=4 18423 B12R1.54 CC(O)CNC(=O)C1CCOC1 11a_100000210904_100011219752 [0,1,0,1,0,0|2,0,0]=4 18424 B12R1.54 CC(O)CNC(=O)C1CCOC1 240690a_100000210904_100011219752 [0,1,0,1,0,0|2,0,0]=4 18425 B12R1.54 CC(O)CNC(=O)C1CCOC1 527a_100000210904_100011219752 [0,1,0,1,0,0|2,0,0]=4 18426 B12R1.54 CC(O)CNC(=O)N1CCCC1 273464a_100000210904_100000188435 [0,1,0,1,0,0|2,0,0]=4 18427 B12R1.54 CC(O)CNC(=O)[C@@H]1CCCO1 11a_100000210904_100000686382 [0,1,0,1,0,0|2,0,0]=4 18428 B12R1.54 CC(O)CNC(=O)[C@@H]1CCCO1 240690a_100000210904_100000686382 [0,1,0,1,0,0|2,0,0]=4 18429 B12R1.54 CC(O)CNC(=O)[C@@H]1CCCO1 527a_100000210904_100000686382 [0,1,0,1,0,0|2,0,0]=4 18430 B12R1.54 CC(O)COC(C)C1CCCC1 34a_100011216366_100011218427 [0,1,0,1,0,0|1,0,1]=4 18431 B12R1.54 CC(O)COC(C)C1CCCC1 7a_100011216366_100011218427 [0,1,0,1,0,0|1,0,1]=4 18432 B12R1.54 CC(OC[C@@H](C)O)C1CCCC1 34a_100011216366_100009817552 [0,1,0,1,0,0|1,0,1]=4 18433 B12R1.54 CC(OC[C@@H](C)O)C1CCCC1 7a_100011216366_100009817552 [0,1,0,1,0,0|1,0,1]=4 18434 B12R1.54 C[S+](C)CCC(=O)C1CCCC1 1458a_100009452791_100000179811 [0,1,0,1,0,0|2,0,0]=4 18435 B12R1.54 O=C(NCC(F)F)C1CCCC1 11a_100000765723_100000210718 [0,1,0,1,0,0|2,0,0]=4 18436 B12R1.54 O=C(NCC(F)F)C1CCCC1 1626a_100000765723_100000210718 [0,1,0,1,0,0|2,0,0]=4 18437 B12R1.54 O=C(NCC(F)F)C1CCCC1 240690a_100000765723_100000210718 [0,1,0,1,0,0|2,0,0]=4 18438 B12R1.54 O=C(NCC(F)F)C1CCCC1 527a_100000765723_100000210718 [0,1,0,1,0,0|2,0,0]=4 18439 B12R1.210 CC(=O)CN1CCCCCC1=O 1458a_100000181294_200000210301 [0,1,0,1,0,0|1,0,1]=4 18440 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000210206_100000243696 [0,1,0,1,0,0|2,0,0]=4 18441 B12R1.210 CC(C)SC1CCCCCC1=O 62a_100000243696_100000210206 [0,1,0,1,0,0|2,0,0]=4 18442 B12R1.210 [13CH3]C(=O)CN1CCCCCC1=O 1458a_100000181294_200025704644 [0,1,0,1,0,0|1,0,1]=4 18443 B12R1.226 CC(C)COC1CCCC(C1)C 34a_100000211399_100000210624 [0,1,0,1,0,0|1,0,1]=4 18444 B12R1.226 CC(O)COC1CCCC(C1)C 34a_100000211399_100011218427 [0,1,0,1,0,0|1,0,1]=4 18445 B12R1.226 CC1CCCC(C1)OC[C@@H](C)O 34a_100000211399_100009817552 [0,1,0,1,0,0|1,0,1]=4 18446 B12R1.230 CC(C)CCC(=O)N1CCC1C 11a_100000755817_100000181311 [0,1,0,1,0,0|2,0,0]=4 18447 B12R1.230 CC(C)CCC(=O)N1CCC1C 240690a_100000755817_100000181311 [0,1,0,1,0,0|2,0,0]=4 18448 B12R1.230 CC(C)CCC(=O)N1CCC1C 527a_100000755817_100000181311 [0,1,0,1,0,0|2,0,0]=4 18449 B12R1.230 CC(C)CNC(=O)N1CCC1C 2708a_100000210953_100000755817 [0,1,0,1,0,0|2,0,0]=4 18450 B12R1.230 CC(C)CNC(=O)N1CCC1C 273464a_100000210953_100000755817 [0,1,0,1,0,0|2,0,0]=4 18451 B12R1.230 CC(O)CNC(=O)N1CCC1C 273464a_100000210904_100000755817 [0,1,0,1,0,0|2,0,0]=4 18452 B12R1.397 C=C(C)CCC(=O)C1CC1CC 1458a_200011661523_100000730704 [0,1,0,1,0,0|1,0,1]=4 18453 B12R1.397 C=C(C)CNC(=O)C1CC1CC 11a_100000765925_200011661523 [0,1,0,1,0,0|1,0,1]=4 18454 B12R1.397 C=C(C)CNC(=O)C1CC1CC 1626a_100000765925_200011661523 [0,1,0,1,0,0|1,0,1]=4 18455 B12R1.397 C=C(C)CNC(=O)C1CC1CC 240690a_100000765925_200011661523 [0,1,0,1,0,0|1,0,1]=4 18456 B12R1.397 C=C(C)CNC(=O)C1CC1CC 527a_100000765925_200011661523 [0,1,0,1,0,0|1,0,1]=4 18457 B12R1.397 CCC1CC1C(=O)CCC(C)C 1458a_200011661523_100000210312 [0,1,0,1,0,0|1,0,0]=3 18458 B12R1.397 CCC1CC1C(=O)CCC(C)O 1458a_200011661523_100012276601 [0,1,0,1,0,0|1,0,0]=3 18459 B12R1.397 CCC1CC1C(=O)NCC(C)C 11a_100000210953_200011661523 [0,1,0,1,0,0|1,0,0]=3 18460 B12R1.397 CCC1CC1C(=O)NCC(C)C 1626a_100000210953_200011661523 [0,1,0,1,0,0|1,0,0]=3 18461 B12R1.397 CCC1CC1C(=O)NCC(C)C 240690a_100000210953_200011661523 [0,1,0,1,0,0|1,0,0]=3 18462 B12R1.397 CCC1CC1C(=O)NCC(C)C 527a_100000210953_200011661523 [0,1,0,1,0,0|1,0,0]=3 18463 B12R1.397 CCC1CC1C(=O)NCC(C)O 11a_100000210904_200011661523 [0,1,0,1,0,0|1,0,0]=3 18464 B12R1.397 CCC1CC1C(=O)NCC(C)O 240690a_100000210904_200011661523 [0,1,0,1,0,0|1,0,0]=3 18465 B12R1.397 CCC1CC1C(=O)NCC(C)O 527a_100000210904_200011661523 [0,1,0,1,0,0|1,0,0]=3 18466 B12R1.397 CCC1CC1C(=O)NCC(F)F 11a_100000765723_200011661523 [0,1,0,1,0,0|2,0,0]=4 18467 B12R1.397 CCC1CC1C(=O)NCC(F)F 1626a_100000765723_200011661523 [0,1,0,1,0,0|2,0,0]=4 18468 B12R1.397 CCC1CC1C(=O)NCC(F)F 240690a_100000765723_200011661523 [0,1,0,1,0,0|2,0,0]=4 18469 B12R1.397 CCC1CC1C(=O)NCC(F)F 527a_100000765723_200011661523 [0,1,0,1,0,0|2,0,0]=4 18470 B12R1.397 CCC1CC1C(=O)NNC(C)C 22a_100000741168_200011661523 [0,1,0,1,0,0|2,0,0]=4 18471 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000212188 [0,1,0,1,0,0|1,0,0]=3 18472 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000212188 [0,1,0,1,0,0|1,0,0]=3 18473 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000212188 [0,1,0,1,0,0|1,0,0]=3 18474 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000212188 [0,1,0,1,0,0|1,0,0]=3 18475 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000212188 [0,1,0,1,0,0|1,0,0]=3 18476 B12R1.482 CCCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000212188 [0,1,0,1,0,0|1,0,0]=3 18477 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100000102301_100015190264 [0,1,0,1,0,0|2,0,0]=4 18478 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100000102301_100015190264 [0,1,0,1,0,0|2,0,0]=4 18479 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100000102301 [0,1,0,1,0,0|2,0,0]=4 18480 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@@H]1F 512a_100000102301_100015190264 [0,1,0,1,0,0|2,0,0]=4 18481 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 2708a_100000102301_100025746932 [0,1,0,1,0,0|2,0,0]=4 18482 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 273464a_100000102301_100025746932 [0,1,0,1,0,0|2,0,0]=4 18483 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100000102301_100025746932 [0,1,0,1,0,0|2,0,0]=4 18484 B12R1.482 CCCCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100000102301 [0,1,0,1,0,0|2,0,0]=4 18485 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000745993 [0,1,0,1,0,0|2,0,0]=4 18486 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000745993 [0,1,0,1,0,0|2,0,0]=4 18487 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000745993 [0,1,0,1,0,0|2,0,0]=4 18488 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000745993 [0,1,0,1,0,0|2,0,0]=4 18489 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000745993 [0,1,0,1,0,0|2,0,0]=4 18490 B12R1.482 CCCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000745993 [0,1,0,1,0,0|2,0,0]=4 18491 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000217233 [0,1,0,1,0,0|2,0,0]=4 18492 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000217233 [0,1,0,1,0,0|2,0,0]=4 18493 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000217233 [0,1,0,1,0,0|2,0,0]=4 18494 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000217233 [0,1,0,1,0,0|2,0,0]=4 18495 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000217233 [0,1,0,1,0,0|2,0,0]=4 18496 B12R1.482 CCCSCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000217233 [0,1,0,1,0,0|2,0,0]=4 18497 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000749530 [0,1,0,1,0,0|2,0,0]=4 18498 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000749530 [0,1,0,1,0,0|2,0,0]=4 18499 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000749530 [0,1,0,1,0,0|2,0,0]=4 18500 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000749530 [0,1,0,1,0,0|2,0,0]=4 18501 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000749530 [0,1,0,1,0,0|2,0,0]=4 18502 B12R1.482 CCOCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000749530 [0,1,0,1,0,0|2,0,0]=4 18503 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000230768 [0,1,0,1,0,0|2,0,0]=4 18504 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000230768 [0,1,0,1,0,0|2,0,0]=4 18505 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000230768 [0,1,0,1,0,0|2,0,0]=4 18506 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000230768 [0,1,0,1,0,0|2,0,0]=4 18507 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000230768 [0,1,0,1,0,0|2,0,0]=4 18508 B12R1.482 CCSCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000230768 [0,1,0,1,0,0|2,0,0]=4 18509 B12R1.482 COCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000741012 [0,1,0,1,0,0|2,0,0]=4 18510 B12R1.482 COCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000741012 [0,1,0,1,0,0|2,0,0]=4 18511 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000741012 [0,1,0,1,0,0|2,0,0]=4 18512 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000741012 [0,1,0,1,0,0|2,0,0]=4 18513 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000741012 [0,1,0,1,0,0|2,0,0]=4 18514 B12R1.482 COCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000741012 [0,1,0,1,0,0|2,0,0]=4 18515 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000173376 [0,1,0,1,0,0|2,0,0]=4 18516 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000173376 [0,1,0,1,0,0|2,0,0]=4 18517 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000173376 [0,1,0,1,0,0|2,0,0]=4 18518 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000173376 [0,1,0,1,0,0|2,0,0]=4 18519 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000173376 [0,1,0,1,0,0|2,0,0]=4 18520 B12R1.482 CSCCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000173376 [0,1,0,1,0,0|2,0,0]=4 18521 B12R1.482 O=C(CCCCO)N[C@@H]1C[C@H]1F 1626a_100025746932_100000695505 [0,1,0,1,0,0|2,0,0]=4 18522 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000690238_100000694398 [0,1,0,1,0,0|1,0,1]=4 18523 B12R1.484 C#CCCCC(=O)CCC1CC1 1458a_100000756386_100000731252 [0,1,0,1,0,0|1,0,1]=4 18524 B12R1.484 C#CCCNC(=O)CCC1CC1 11a_100000755551_100000756386 [0,1,0,1,0,0|1,0,1]=4 18525 B12R1.484 C#CCCNC(=O)CCC1CC1 1626a_100000755551_100000756386 [0,1,0,1,0,0|1,0,1]=4 18526 B12R1.484 C#CCCNC(=O)CCC1CC1 240690a_100000755551_100000756386 [0,1,0,1,0,0|1,0,1]=4 18527 B12R1.484 C#CCCNC(=O)CCC1CC1 527a_100000755551_100000756386 [0,1,0,1,0,0|1,0,1]=4 18528 B12R1.484 C#CCOCC(=O)CCC1CC1 1458a_100011251226_100000694398 [0,1,0,1,0,0|0,0,2]=4 18529 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000756386_100000757094 [0,1,0,1,0,0|1,0,1]=4 18530 B12R1.484 C=CCCCC(=O)CCC1CC1 1458a_100000766728_100000694398 [0,1,0,1,0,0|1,0,1]=4 18531 B12R1.484 C=CCCNC(=O)CCC1CC1 11a_100015191253_100000756386 [0,1,0,1,0,0|1,0,1]=4 18532 B12R1.484 C=CCCNC(=O)CCC1CC1 1626a_100015191253_100000756386 [0,1,0,1,0,0|1,0,1]=4 18533 B12R1.484 C=CCCNC(=O)CCC1CC1 240690a_100015191253_100000756386 [0,1,0,1,0,0|1,0,1]=4 18534 B12R1.484 C=CCCNC(=O)CCC1CC1 527a_100015191253_100000756386 [0,1,0,1,0,0|1,0,1]=4 18535 B12R1.484 CC#CCNC(=O)CCC1CC1 11a_100000685387_100000756386 [0,1,0,1,0,0|1,0,1]=4 18536 B12R1.484 CC#CCNC(=O)CCC1CC1 1626a_100000685387_100000756386 [0,1,0,1,0,0|1,0,1]=4 18537 B12R1.484 CC#CCNC(=O)CCC1CC1 527a_100000685387_100000756386 [0,1,0,1,0,0|1,0,1]=4 18538 B12R1.484 CC/C=C/CC(=O)CCC1CC1 1458a_100016274230_100000694398 [0,1,0,1,0,0|1,0,1]=4 18539 B12R1.484 CC/C=C\CC(=O)CCC1CC1 1458a_100000756386_100103147603 [0,1,0,1,0,0|1,0,1]=4 18540 B12R1.484 CCC#CCC(=O)CCC1CC1 1458a_100000756386_100009813939 [0,1,0,1,0,0|1,0,1]=4 18541 B12R1.484 CCCC#CC(=O)CCC1CC1 1458a_200011218047_100000694398 [0,1,0,1,0,0|1,0,0]=3 18542 B12R1.484 CCCC#CC(=O)CCC1CO1 1458a_200011218047_100000732470 [0,1,0,1,0,0|2,0,0]=4 18543 B12R1.484 CCCC#CC(=O)NCC1CC1 240690a_100000735609_200011218047 [0,1,0,1,0,0|2,0,0]=4 18544 B12R1.484 CCCC=CC(=O)CCC1CC1 1458a_100000212230_100000694398 [0,1,0,1,0,0|1,0,0]=3 18545 B12R1.484 CCCC=CC(=O)CCC1CO1 1458a_100000212230_100000732470 [0,1,0,1,0,0|2,0,0]=4 18546 B12R1.484 CCCC=CC(=O)NCC1CC1 11a_100000735609_100000212230 [0,1,0,1,0,0|2,0,0]=4 18547 B12R1.484 CCCC=CC(=O)NCC1CC1 1626a_100000735609_100000212230 [0,1,0,1,0,0|2,0,0]=4 18548 B12R1.484 CCCC=CC(=O)NCC1CC1 240690a_100000735609_100000212230 [0,1,0,1,0,0|2,0,0]=4 18549 B12R1.484 CCCCCC(=NNC1CC1)C 4a_100000701032_100000211708 [0,1,0,1,0,0|2,0,0]=4 18550 B12R1.484 CCCCCC(=O)C=CC1CC1 1458a_100102529529_100000210326 [0,1,0,1,0,0|1,0,0]=3 18551 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000212188_100000694398 [0,1,0,1,0,0|1,0,0]=3 18552 B12R1.484 CCCCCC(=O)CCC1CC1 1458a_100000756386_100000210326 [0,1,0,1,0,0|1,0,0]=3 18553 B12R1.484 CCCCCC(=O)CCC1CO1 1458a_100000212188_100000732470 [0,1,0,1,0,0|1,0,0]=3 18554 B12R1.484 CCCCCC(=O)CNC1CC1 34a_100000212008_200012276598 [0,1,0,1,0,0|1,0,0]=3 18555 B12R1.484 CCCCCC(=O)CSC1CC1 62a_200012276598_100000211595 [0,1,0,1,0,0|0,1,0]=3 18556 B12R1.484 CCCCCC(=O)NCC1CC1 11a_100000735609_100000212188 [0,1,0,1,0,0|1,0,0]=3 18557 B12R1.484 CCCCCC(=O)NCC1CC1 1626a_100000735609_100000212188 [0,1,0,1,0,0|1,0,0]=3 18558 B12R1.484 CCCCCC(=O)NCC1CC1 240690a_100000735609_100000212188 [0,1,0,1,0,0|1,0,0]=3 18559 B12R1.484 CCCCCC(=O)NCC1CC1 527a_100000735609_100000212188 [0,1,0,1,0,0|1,0,0]=3 18560 B12R1.484 CCCCCC(=O)NNC1CC1 22a_100000701032_100000212188 [0,1,0,1,0,0|1,0,0]=3 18561 B12R1.484 CCCCCC(C)OCC1CC1 34a_100000211283_200011218191 [0,1,0,1,0,0|1,0,1]=4 18562 B12R1.484 CCCCCC(C)OCC1CC1 34a_100011215632_100000742324 [0,1,0,1,0,0|1,0,1]=4 18563 B12R1.484 CCCCCC(C)OCC1CC1 7a_100011215632_100000742324 [0,1,0,1,0,0|1,0,1]=4 18564 B12R1.484 CCCCCC(C)OCC1CO1 34a_100011215632_102125554688 [0,1,0,1,0,0|1,0,1]=4 18565 B12R1.484 CCCCCC(C)OCC1CO1 7a_100011215632_102125554688 [0,1,0,1,0,0|1,0,1]=4 18566 B12R1.484 CCCCCC(C)OCC1CS1 7a_100011215632_100000031435 [0,1,0,1,0,0|1,0,1]=4 18567 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 34a_100000757423_200011218191 [0,1,0,1,0,0|1,0,1]=4 18568 B12R1.484 CCCCCC(C)OC[C@@H]1CO1 7a_100011215632_100000745022 [0,1,0,1,0,0|1,0,1]=4 18569 B12R1.484 CCCCNC(=O)C=CC1CC1 11a_100000102301_100102529529 [0,1,0,1,0,0|2,0,0]=4 18570 B12R1.484 CCCCNC(=O)C=CC1CC1 1626a_100000102301_100102529529 [0,1,0,1,0,0|2,0,0]=4 18571 B12R1.484 CCCCNC(=O)C=CC1CC1 240690a_100000102301_100102529529 [0,1,0,1,0,0|2,0,0]=4 18572 B12R1.484 CCCCNC(=O)CCC1CC1 11a_100000102301_100000756386 [0,1,0,1,0,0|1,0,0]=3 18573 B12R1.484 CCCCNC(=O)CCC1CC1 1626a_100000102301_100000756386 [0,1,0,1,0,0|1,0,0]=3 18574 B12R1.484 CCCCNC(=O)CCC1CC1 240690a_100000102301_100000756386 [0,1,0,1,0,0|1,0,0]=3 18575 B12R1.484 CCCCNC(=O)CCC1CC1 527a_100000102301_100000756386 [0,1,0,1,0,0|1,0,0]=3 18576 B12R1.484 CCCCNC(=O)CNC1CC1 34a_100000212008_100000182744 [0,1,0,1,0,0|2,0,0]=4 18577 B12R1.484 CCCCNC(=O)CSC1CC1 62a_100000182744_100000211595 [0,1,0,1,0,0|1,1,0]=4 18578 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000102301_100000735609 [0,1,0,1,0,0|2,0,0]=4 18579 B12R1.484 CCCCNC(=O)NCC1CC1 2708a_100000735609_100000102301 [0,1,0,1,0,0|2,0,0]=4 18580 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000102301_100000735609 [0,1,0,1,0,0|2,0,0]=4 18581 B12R1.484 CCCCNC(=O)NCC1CC1 273464a_100000735609_100000102301 [0,1,0,1,0,0|2,0,0]=4 18582 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000102301_100000735609 [0,1,0,1,0,0|2,0,0]=4 18583 B12R1.484 CCCCNC(=O)NCC1CC1 512a_100000735609_100000102301 [0,1,0,1,0,0|2,0,0]=4 18584 B12R1.484 CCCCNC(=O)NNC1CC1 273464a_100000102301_100000701032 [0,1,0,1,0,0|2,0,0]=4 18585 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000102301_100000701032 [0,1,0,1,0,0|2,0,0]=4 18586 B12R1.484 CCCCNC(=O)NNC1CC1 512a_100000701032_100000102301 [0,1,0,1,0,0|2,0,0]=4 18587 B12R1.484 CCCCOC(=O)CNC1CC1 34a_100000212008_100000211628 [0,1,0,1,0,0|1,0,0]=3 18588 B12R1.484 CCCCOC(=O)CSC1CC1 62a_100000211628_100000211595 [0,1,0,1,0,0|1,0,0]=3 18589 B12R1.484 CCCNNC(=O)CCC1CC1 22a_100000740057_100000756386 [0,1,0,1,0,0|1,0,0]=3 18590 B12R1.484 CCCNNC(=O)NCC1CC1 273464a_100000735609_100000740057 [0,1,0,1,0,0|2,0,0]=4 18591 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000735609_100000740057 [0,1,0,1,0,0|2,0,0]=4 18592 B12R1.484 CCCNNC(=O)NCC1CC1 512a_100000740057_100000735609 [0,1,0,1,0,0|2,0,0]=4 18593 B12R1.484 CCCOCC(=O)CCC1CC1 1458a_100000745993_100000694398 [0,1,0,1,0,0|0,0,0]=2 18594 B12R1.484 CCCOCC(=O)CCC1CO1 1458a_100000745993_100000732470 [0,1,0,1,0,0|1,0,0]=3 18595 B12R1.484 CCCOCC(=O)NCC1CC1 11a_100000735609_100000745993 [0,1,0,1,0,0|1,0,0]=3 18596 B12R1.484 CCCOCC(=O)NCC1CC1 1626a_100000735609_100000745993 [0,1,0,1,0,0|1,0,0]=3 18597 B12R1.484 CCCOCC(=O)NCC1CC1 240690a_100000735609_100000745993 [0,1,0,1,0,0|1,0,0]=3 18598 B12R1.484 CCCOCC(=O)NCC1CC1 527a_100000735609_100000745993 [0,1,0,1,0,0|1,0,0]=3 18599 B12R1.484 CCCOCC(=O)NNC1CC1 22a_100000701032_100000745993 [0,1,0,1,0,0|2,0,0]=4 18600 B12R1.484 CCCSCC(=O)CCC1CC1 1458a_100000217233_100000694398 [0,1,0,1,0,0|0,1,0]=3 18601 B12R1.484 CCCSCC(=O)CCC1CO1 1458a_100000217233_100000732470 [0,1,0,1,0,0|1,1,0]=4 18602 B12R1.484 CCCSCC(=O)NCC1CC1 11a_100000735609_100000217233 [0,1,0,1,0,0|1,1,0]=4 18603 B12R1.484 CCCSCC(=O)NCC1CC1 1626a_100000735609_100000217233 [0,1,0,1,0,0|1,1,0]=4 18604 B12R1.484 CCCSCC(=O)NCC1CC1 240690a_100000735609_100000217233 [0,1,0,1,0,0|1,1,0]=4 18605 B12R1.484 CCCSCC(=O)NCC1CC1 527a_100000735609_100000217233 [0,1,0,1,0,0|1,1,0]=4 18606 B12R1.484 CCCSCC(=O)NNC1CC1 22a_100000701032_100000217233 [0,1,0,1,0,0|2,0,0]=4 18607 B12R1.484 CCOC=CC(=O)CCC1CC1 1458a_100016266692_100000694398 [0,1,0,1,0,0|1,0,1]=4 18608 B12R1.484 CCOCCC(=O)C=CC1CC1 1458a_100102529529_100011215890 [0,1,0,1,0,0|2,0,0]=4 18609 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000749530_100000694398 [0,1,0,1,0,0|1,0,0]=3 18610 B12R1.484 CCOCCC(=O)CCC1CC1 1458a_100000756386_100011215890 [0,1,0,1,0,0|1,0,0]=3 18611 B12R1.484 CCOCCC(=O)CCC1CO1 1458a_100000749530_100000732470 [0,1,0,1,0,0|2,0,0]=4 18612 B12R1.484 CCOCCC(=O)NCC1CC1 11a_100000735609_100000749530 [0,1,0,1,0,0|2,0,0]=4 18613 B12R1.484 CCOCCC(=O)NCC1CC1 1626a_100000735609_100000749530 [0,1,0,1,0,0|2,0,0]=4 18614 B12R1.484 CCOCCC(=O)NCC1CC1 240690a_100000735609_100000749530 [0,1,0,1,0,0|2,0,0]=4 18615 B12R1.484 CCOCCC(=O)NCC1CC1 527a_100000735609_100000749530 [0,1,0,1,0,0|2,0,0]=4 18616 B12R1.484 CCOCCC(=O)NNC1CC1 22a_100000701032_100000749530 [0,1,0,1,0,0|2,0,0]=4 18617 B12R1.484 CCSCCC(=O)C=CC1CC1 1458a_100102529529_100000757381 [0,1,0,1,0,0|2,0,0]=4 18618 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000230768_100000694398 [0,1,0,1,0,0|1,0,0]=3 18619 B12R1.484 CCSCCC(=O)CCC1CC1 1458a_100000756386_100000757381 [0,1,0,1,0,0|1,0,0]=3 18620 B12R1.484 CCSCCC(=O)CCC1CO1 1458a_100000230768_100000732470 [0,1,0,1,0,0|2,0,0]=4 18621 B12R1.484 CCSCCC(=O)NCC1CC1 11a_100000735609_100000230768 [0,1,0,1,0,0|2,0,0]=4 18622 B12R1.484 CCSCCC(=O)NCC1CC1 1626a_100000735609_100000230768 [0,1,0,1,0,0|2,0,0]=4 18623 B12R1.484 CCSCCC(=O)NCC1CC1 240690a_100000735609_100000230768 [0,1,0,1,0,0|2,0,0]=4 18624 B12R1.484 CCSCCC(=O)NCC1CC1 527a_100000735609_100000230768 [0,1,0,1,0,0|2,0,0]=4 18625 B12R1.484 CCSCCC(=O)NNC1CC1 22a_100000701032_100000230768 [0,1,0,1,0,0|2,0,0]=4 18626 B12R1.484 COCC=CC(=O)CCC1CC1 1458a_100016285016_100000694398 [0,1,0,1,0,0|1,0,1]=4 18627 B12R1.484 COCCCC(=O)C=CC1CC1 1458a_100102529529_100000740836 [0,1,0,1,0,0|2,0,0]=4 18628 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000741012_100000694398 [0,1,0,1,0,0|1,0,0]=3 18629 B12R1.484 COCCCC(=O)CCC1CC1 1458a_100000756386_100000740836 [0,1,0,1,0,0|1,0,0]=3 18630 B12R1.484 COCCCC(=O)CCC1CO1 1458a_100000741012_100000732470 [0,1,0,1,0,0|2,0,0]=4 18631 B12R1.484 COCCCC(=O)NCC1CC1 11a_100000735609_100000741012 [0,1,0,1,0,0|2,0,0]=4 18632 B12R1.484 COCCCC(=O)NCC1CC1 1626a_100000735609_100000741012 [0,1,0,1,0,0|2,0,0]=4 18633 B12R1.484 COCCCC(=O)NCC1CC1 240690a_100000735609_100000741012 [0,1,0,1,0,0|2,0,0]=4 18634 B12R1.484 COCCCC(=O)NCC1CC1 527a_100000735609_100000741012 [0,1,0,1,0,0|2,0,0]=4 18635 B12R1.484 COCCCC(=O)NNC1CC1 22a_100000701032_100000741012 [0,1,0,1,0,0|2,0,0]=4 18636 B12R1.484 COCCNC(=O)CCC1CC1 1626a_100000209980_100000756386 [0,1,0,1,0,0|1,0,0]=3 18637 B12R1.484 COCCNC(=O)CCC1CC1 240690a_100000209980_100000756386 [0,1,0,1,0,0|1,0,0]=3 18638 B12R1.484 COCCNC(=O)CCC1CC1 527a_100000209980_100000756386 [0,1,0,1,0,0|1,0,0]=3 18639 B12R1.484 COCCNC(=O)CNC1CC1 34a_100000212008_100000183275 [0,1,0,1,0,0|2,0,0]=4 18640 B12R1.484 COCCNC(=O)CSC1CC1 62a_100000183275_100000211595 [0,1,0,1,0,0|2,0,0]=4 18641 B12R1.484 COCCNC(=O)NCC1CC1 2708a_100000735609_100000209980 [0,1,0,1,0,0|2,0,0]=4 18642 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000209980_100000735609 [0,1,0,1,0,0|2,0,0]=4 18643 B12R1.484 COCCNC(=O)NCC1CC1 273464a_100000735609_100000209980 [0,1,0,1,0,0|2,0,0]=4 18644 B12R1.484 COCCOC(=O)CNC1CC1 34a_100000212008_200000040189 [0,1,0,1,0,0|1,0,0]=3 18645 B12R1.484 COCCOC(=O)CSC1CC1 62a_200000040189_100000211595 [0,1,0,1,0,0|1,0,0]=3 18646 B12R1.484 CSCCCC(=O)CCC1CC1 1458a_100000173376_100000694398 [0,1,0,1,0,0|1,0,0]=3 18647 B12R1.484 CSCCCC(=O)CCC1CO1 1458a_100000173376_100000732470 [0,1,0,1,0,0|2,0,0]=4 18648 B12R1.484 CSCCCC(=O)NCC1CC1 11a_100000735609_100000173376 [0,1,0,1,0,0|2,0,0]=4 18649 B12R1.484 CSCCCC(=O)NCC1CC1 1626a_100000735609_100000173376 [0,1,0,1,0,0|2,0,0]=4 18650 B12R1.484 CSCCCC(=O)NCC1CC1 240690a_100000735609_100000173376 [0,1,0,1,0,0|2,0,0]=4 18651 B12R1.484 CSCCCC(=O)NCC1CC1 527a_100000735609_100000173376 [0,1,0,1,0,0|2,0,0]=4 18652 B12R1.484 CSCCCC(=O)NNC1CC1 22a_100000701032_100000173376 [0,1,0,1,0,0|2,0,0]=4 18653 B12R1.484 CSCCNC(=O)CCC1CC1 11a_100020590264_100000756386 [0,1,0,1,0,0|1,0,0]=3 18654 B12R1.484 CSCCNC(=O)CCC1CC1 1626a_100020590264_100000756386 [0,1,0,1,0,0|1,0,0]=3 18655 B12R1.484 CSCCNC(=O)CCC1CC1 240690a_100020590264_100000756386 [0,1,0,1,0,0|1,0,0]=3 18656 B12R1.484 CSCCNC(=O)CCC1CC1 527a_100020590264_100000756386 [0,1,0,1,0,0|1,0,0]=3 18657 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100000735609_100020590264 [0,1,0,1,0,0|2,0,0]=4 18658 B12R1.484 CSCCNC(=O)NCC1CC1 2708a_100020590264_100000735609 [0,1,0,1,0,0|2,0,0]=4 18659 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100000735609_100020590264 [0,1,0,1,0,0|2,0,0]=4 18660 B12R1.484 CSCCNC(=O)NCC1CC1 273464a_100020590264_100000735609 [0,1,0,1,0,0|2,0,0]=4 18661 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100000735609_100020590264 [0,1,0,1,0,0|2,0,0]=4 18662 B12R1.484 CSCCNC(=O)NCC1CC1 512a_100020590264_100000735609 [0,1,0,1,0,0|2,0,0]=4 18663 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000075515_100000694398 [0,1,0,1,0,0|1,0,1]=4 18664 B12R1.484 N#CCCCC(=O)CCC1CC1 1458a_100000756386_100000211468 [0,1,0,1,0,0|1,0,1]=4 18665 B12R1.484 N#CCCNC(=O)CCC1CC1 11a_100000720768_100000756386 [0,1,0,1,0,0|1,0,1]=4 18666 B12R1.484 N#CCCNC(=O)CCC1CC1 1626a_100000720768_100000756386 [0,1,0,1,0,0|1,0,1]=4 18667 B12R1.484 N#CCCNC(=O)CCC1CC1 240690a_100000720768_100000756386 [0,1,0,1,0,0|1,0,1]=4 18668 B12R1.484 N#CCCNC(=O)CCC1CC1 527a_100000720768_100000756386 [0,1,0,1,0,0|1,0,1]=4 18669 B12R1.484 O=C(C=CC1CC1)CCCCF 1458a_100102529529_100000729493 [0,1,0,1,0,0|2,0,0]=4 18670 B12R1.484 O=C(C=CC1CC1)CCCCO 1458a_100102529529_100000210776 [0,1,0,1,0,0|2,0,0]=4 18671 B12R1.484 O=C(CCC1CC1)COCCO 1458a_100000708028_100000694398 [0,1,0,1,0,0|1,0,0]=3 18672 B12R1.484 O=C(CCC1CC1)NCCCF 11a_100015189416_100000756386 [0,1,0,1,0,0|1,0,0]=3 18673 B12R1.484 O=C(CCC1CC1)NCCCF 1626a_100015189416_100000756386 [0,1,0,1,0,0|1,0,0]=3 18674 B12R1.484 O=C(CCC1CC1)NCCCF 240690a_100015189416_100000756386 [0,1,0,1,0,0|1,0,0]=3 18675 B12R1.484 O=C(CCC1CC1)NCCCF 527a_100015189416_100000756386 [0,1,0,1,0,0|1,0,0]=3 18676 B12R1.484 O=C(CCC1CC1)NCCCO 240690a_100000182051_100000756386 [0,1,0,1,0,0|1,0,0]=3 18677 B12R1.484 O=C(CCC1CC1)NCCCO 527a_100000182051_100000756386 [0,1,0,1,0,0|1,0,0]=3 18678 B12R1.484 O=C(CCC1CC1)NNCCO 22a_100000210001_100000756386 [0,1,0,1,0,0|2,0,0]=4 18679 B12R1.484 O=C(CCC1CO1)COCCO 1458a_100000708028_100000732470 [0,1,0,1,0,0|2,0,0]=4 18680 B12R1.484 O=C(CCCCF)CCC1CC1 1458a_100000756386_100000729493 [0,1,0,1,0,0|1,0,0]=3 18681 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000695505_100000694398 [0,1,0,1,0,0|1,0,0]=3 18682 B12R1.484 O=C(CCCCO)CCC1CC1 1458a_100000756386_100000210776 [0,1,0,1,0,0|1,0,0]=3 18683 B12R1.484 O=C(CCCCO)CCC1CO1 1458a_100000695505_100000732470 [0,1,0,1,0,0|2,0,0]=4 18684 B12R1.484 O=C(CCCCO)NCC1CC1 1626a_100000735609_100000695505 [0,1,0,1,0,0|2,0,0]=4 18685 B12R1.484 O=C(COCCO)NCC1CC1 1626a_100000735609_100000708028 [0,1,0,1,0,0|2,0,0]=4 18686 B12R1.484 O=C(COCCO)NCC1CC1 240690a_100000735609_100000708028 [0,1,0,1,0,0|2,0,0]=4 18687 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100000735609_100015189416 [0,1,0,1,0,0|2,0,0]=4 18688 B12R1.484 O=C(NCCCF)NCC1CC1 2708a_100015189416_100000735609 [0,1,0,1,0,0|2,0,0]=4 18689 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100000735609_100015189416 [0,1,0,1,0,0|2,0,0]=4 18690 B12R1.484 O=C(NCCCF)NCC1CC1 273464a_100015189416_100000735609 [0,1,0,1,0,0|2,0,0]=4 18691 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100000735609_100015189416 [0,1,0,1,0,0|2,0,0]=4 18692 B12R1.484 O=C(NCCCF)NCC1CC1 512a_100015189416_100000735609 [0,1,0,1,0,0|2,0,0]=4 18693 B12R1.484 O=C(NCCCO)NCC1CC1 2708a_100000735609_100000182051 [0,1,0,1,0,0|2,0,0]=4 18694 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000182051_100000735609 [0,1,0,1,0,0|2,0,0]=4 18695 B12R1.484 O=C(NCCCO)NCC1CC1 273464a_100000735609_100000182051 [0,1,0,1,0,0|2,0,0]=4 18696 B12R1.484 O=C(NCCCO)NCC1CC1 512a_100000735609_100000182051 [0,1,0,1,0,0|2,0,0]=4 18697 B12R1.486 C=C1CC(C1)C(=O)CCCCC 1458a_100000065620_100000210326 [0,1,0,1,0,0|1,0,1]=4 18698 B12R1.486 CC1CC(C1)C(=O)CCCCF 1458a_100000686124_100000729493 [0,1,0,1,0,0|2,0,0]=4 18699 B12R1.486 CC1CC(C1)C(=O)CCCCO 1458a_100000686124_100000210776 [0,1,0,1,0,0|2,0,0]=4 18700 B12R1.486 CCCCCC(=O)C1CC(C1)C 1458a_100000686124_100000210326 [0,1,0,1,0,0|1,0,0]=3 18701 B12R1.486 CCCCCC(=O)C1CC(C1)F 1458a_100000062598_100000210326 [0,1,0,1,0,0|1,0,0]=3 18702 B12R1.486 CCCCCC(=O)C1CN(C1)C 1458a_100012002723_100000210326 [0,1,0,1,0,0|2,0,0]=4 18703 B12R1.486 CCCCCC(=O)N1CC(C1)C 11a_100000702820_100000212188 [0,1,0,1,0,0|1,0,0]=3 18704 B12R1.486 CCCCCC(=O)N1CC(C1)C 240690a_100000702820_100000212188 [0,1,0,1,0,0|1,0,0]=3 18705 B12R1.486 CCCCCC(=O)N1CC(C1)C 527a_100000702820_100000212188 [0,1,0,1,0,0|1,0,0]=3 18706 B12R1.486 CCCCCC(=O)N1CC(C1)F 11a_100000690557_100000212188 [0,1,0,1,0,0|1,0,0]=3 18707 B12R1.486 CCCCCC(=O)N1CC(C1)F 240690a_100000690557_100000212188 [0,1,0,1,0,0|1,0,0]=3 18708 B12R1.486 CCCCCC(=O)N1CC(C1)F 527a_100000690557_100000212188 [0,1,0,1,0,0|1,0,0]=3 18709 B12R1.486 CCCCCC(=O)N1CC(C1)O 11a_100000749847_100000212188 [0,1,0,1,0,0|1,0,0]=3 18710 B12R1.486 CCCCCC(=O)N1CC(C1)O 240690a_100000749847_100000212188 [0,1,0,1,0,0|1,0,0]=3 18711 B12R1.486 CCCCCC(=O)N1CC(C1)O 527a_100000749847_100000212188 [0,1,0,1,0,0|1,0,0]=3 18712 B12R1.486 CCCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210326 [0,1,0,1,0,0|1,0,0]=3 18713 B12R1.486 CCCCNC(=O)C1CC(C1)C 11a_100000102301_100000686124 [0,1,0,1,0,0|2,0,0]=4 18714 B12R1.486 CCCCNC(=O)C1CC(C1)C 1626a_100000102301_100000686124 [0,1,0,1,0,0|2,0,0]=4 18715 B12R1.486 CCCCNC(=O)C1CC(C1)C 240690a_100000102301_100000686124 [0,1,0,1,0,0|2,0,0]=4 18716 B12R1.486 CCCCNC(=O)C1CC(C1)C 527a_100000102301_100000686124 [0,1,0,1,0,0|2,0,0]=4 18717 B12R1.486 CCCCNC(=O)C1CC(C1)F 11a_100000102301_100000062598 [0,1,0,1,0,0|2,0,0]=4 18718 B12R1.486 CCCCNC(=O)C1CC(C1)F 1626a_100000102301_100000062598 [0,1,0,1,0,0|2,0,0]=4 18719 B12R1.486 CCCCNC(=O)C1CC(C1)F 240690a_100000102301_100000062598 [0,1,0,1,0,0|2,0,0]=4 18720 B12R1.486 CCCCNC(=O)C1CC(C1)F 527a_100000102301_100000062598 [0,1,0,1,0,0|2,0,0]=4 18721 B12R1.486 CCCCNC(=O)N1CC(C1)C 2708a_100000102301_100000702820 [0,1,0,1,0,0|2,0,0]=4 18722 B12R1.486 CCCCNC(=O)N1CC(C1)C 273464a_100000102301_100000702820 [0,1,0,1,0,0|2,0,0]=4 18723 B12R1.486 CCCCNC(=O)N1CC(C1)F 2708a_100000102301_100000690557 [0,1,0,1,0,0|2,0,0]=4 18724 B12R1.486 CCCCNC(=O)N1CC(C1)F 273464a_100000102301_100000690557 [0,1,0,1,0,0|2,0,0]=4 18725 B12R1.486 CCCCNC(=O)N1CC(C1)O 2708a_100000102301_100000749847 [0,1,0,1,0,0|2,0,0]=4 18726 B12R1.486 CCCCNC(=O)N1CC(C1)O 273464a_100000102301_100000749847 [0,1,0,1,0,0|2,0,0]=4 18727 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 240690a_100000102301_100015266633 [0,1,0,1,0,0|2,0,0]=4 18728 B12R1.486 CCCCNC(=O)[C@H]1C[C@H](C1)O 527a_100000102301_100015266633 [0,1,0,1,0,0|2,0,0]=4 18729 B12R1.486 CCCOCC(=O)N1CC(C1)C 11a_100000702820_100000745993 [0,1,0,1,0,0|2,0,0]=4 18730 B12R1.486 CCCOCC(=O)N1CC(C1)C 240690a_100000702820_100000745993 [0,1,0,1,0,0|2,0,0]=4 18731 B12R1.486 CCCOCC(=O)N1CC(C1)C 527a_100000702820_100000745993 [0,1,0,1,0,0|2,0,0]=4 18732 B12R1.486 CCCOCC(=O)N1CC(C1)F 11a_100000690557_100000745993 [0,1,0,1,0,0|2,0,0]=4 18733 B12R1.486 CCCOCC(=O)N1CC(C1)F 240690a_100000690557_100000745993 [0,1,0,1,0,0|2,0,0]=4 18734 B12R1.486 CCCOCC(=O)N1CC(C1)F 527a_100000690557_100000745993 [0,1,0,1,0,0|2,0,0]=4 18735 B12R1.486 CCCOCC(=O)N1CC(C1)O 11a_100000749847_100000745993 [0,1,0,1,0,0|2,0,0]=4 18736 B12R1.486 CCCOCC(=O)N1CC(C1)O 240690a_100000749847_100000745993 [0,1,0,1,0,0|2,0,0]=4 18737 B12R1.486 CCCOCC(=O)N1CC(C1)O 34a_100000210258_100013143841 [0,1,0,1,0,0|2,0,0]=4 18738 B12R1.486 CCCOCC(=O)N1CC(C1)O 527a_100000749847_100000745993 [0,1,0,1,0,0|2,0,0]=4 18739 B12R1.486 CCCSCC(=O)N1CC(C1)C 11a_100000702820_100000217233 [0,1,0,1,0,0|2,0,0]=4 18740 B12R1.486 CCCSCC(=O)N1CC(C1)C 240690a_100000702820_100000217233 [0,1,0,1,0,0|2,0,0]=4 18741 B12R1.486 CCCSCC(=O)N1CC(C1)C 527a_100000702820_100000217233 [0,1,0,1,0,0|2,0,0]=4 18742 B12R1.486 CCCSCC(=O)N1CC(C1)F 11a_100000690557_100000217233 [0,1,0,1,0,0|2,0,0]=4 18743 B12R1.486 CCCSCC(=O)N1CC(C1)F 240690a_100000690557_100000217233 [0,1,0,1,0,0|2,0,0]=4 18744 B12R1.486 CCCSCC(=O)N1CC(C1)F 527a_100000690557_100000217233 [0,1,0,1,0,0|2,0,0]=4 18745 B12R1.486 CCCSCC(=O)N1CC(C1)O 11a_100000749847_100000217233 [0,1,0,1,0,0|2,0,0]=4 18746 B12R1.486 CCCSCC(=O)N1CC(C1)O 240690a_100000749847_100000217233 [0,1,0,1,0,0|2,0,0]=4 18747 B12R1.486 CCCSCC(=O)N1CC(C1)O 527a_100000749847_100000217233 [0,1,0,1,0,0|2,0,0]=4 18748 B12R1.486 CCCSCC(=O)N1CC(C1)O 62a_100013143841_100000210303 [0,1,0,1,0,0|2,0,0]=4 18749 B12R1.486 CCOCCC(=O)C1CC(C1)C 1458a_100000686124_100011215890 [0,1,0,1,0,0|2,0,0]=4 18750 B12R1.486 CCOCCC(=O)C1CC(C1)F 1458a_100000062598_100011215890 [0,1,0,1,0,0|2,0,0]=4 18751 B12R1.486 CCOCCC(=O)N1CC(C1)C 11a_100000702820_100000749530 [0,1,0,1,0,0|2,0,0]=4 18752 B12R1.486 CCOCCC(=O)N1CC(C1)C 240690a_100000702820_100000749530 [0,1,0,1,0,0|2,0,0]=4 18753 B12R1.486 CCOCCC(=O)N1CC(C1)C 527a_100000702820_100000749530 [0,1,0,1,0,0|2,0,0]=4 18754 B12R1.486 CCOCCC(=O)N1CC(C1)F 11a_100000690557_100000749530 [0,1,0,1,0,0|2,0,0]=4 18755 B12R1.486 CCOCCC(=O)N1CC(C1)F 240690a_100000690557_100000749530 [0,1,0,1,0,0|2,0,0]=4 18756 B12R1.486 CCOCCC(=O)N1CC(C1)F 527a_100000690557_100000749530 [0,1,0,1,0,0|2,0,0]=4 18757 B12R1.486 CCOCCC(=O)N1CC(C1)O 11a_100000749847_100000749530 [0,1,0,1,0,0|2,0,0]=4 18758 B12R1.486 CCOCCC(=O)N1CC(C1)O 240690a_100000749847_100000749530 [0,1,0,1,0,0|2,0,0]=4 18759 B12R1.486 CCOCCC(=O)N1CC(C1)O 527a_100000749847_100000749530 [0,1,0,1,0,0|2,0,0]=4 18760 B12R1.486 CCOCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100011215890 [0,1,0,1,0,0|2,0,0]=4 18761 B12R1.486 CCSCCC(=O)C1CC(C1)C 1458a_100000686124_100000757381 [0,1,0,1,0,0|2,0,0]=4 18762 B12R1.486 CCSCCC(=O)C1CC(C1)F 1458a_100000062598_100000757381 [0,1,0,1,0,0|2,0,0]=4 18763 B12R1.486 CCSCCC(=O)N1CC(C1)C 11a_100000702820_100000230768 [0,1,0,1,0,0|2,0,0]=4 18764 B12R1.486 CCSCCC(=O)N1CC(C1)C 240690a_100000702820_100000230768 [0,1,0,1,0,0|2,0,0]=4 18765 B12R1.486 CCSCCC(=O)N1CC(C1)C 527a_100000702820_100000230768 [0,1,0,1,0,0|2,0,0]=4 18766 B12R1.486 CCSCCC(=O)N1CC(C1)F 11a_100000690557_100000230768 [0,1,0,1,0,0|2,0,0]=4 18767 B12R1.486 CCSCCC(=O)N1CC(C1)F 240690a_100000690557_100000230768 [0,1,0,1,0,0|2,0,0]=4 18768 B12R1.486 CCSCCC(=O)N1CC(C1)F 527a_100000690557_100000230768 [0,1,0,1,0,0|2,0,0]=4 18769 B12R1.486 CCSCCC(=O)N1CC(C1)O 11a_100000749847_100000230768 [0,1,0,1,0,0|2,0,0]=4 18770 B12R1.486 CCSCCC(=O)N1CC(C1)O 240690a_100000749847_100000230768 [0,1,0,1,0,0|2,0,0]=4 18771 B12R1.486 CCSCCC(=O)N1CC(C1)O 527a_100000749847_100000230768 [0,1,0,1,0,0|2,0,0]=4 18772 B12R1.486 CCSCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000757381 [0,1,0,1,0,0|2,0,0]=4 18773 B12R1.486 COCCCC(=O)C1CC(C1)C 1458a_100000686124_100000740836 [0,1,0,1,0,0|2,0,0]=4 18774 B12R1.486 COCCCC(=O)C1CC(C1)F 1458a_100000062598_100000740836 [0,1,0,1,0,0|2,0,0]=4 18775 B12R1.486 COCCCC(=O)N1CC(C1)C 11a_100000702820_100000741012 [0,1,0,1,0,0|2,0,0]=4 18776 B12R1.486 COCCCC(=O)N1CC(C1)C 240690a_100000702820_100000741012 [0,1,0,1,0,0|2,0,0]=4 18777 B12R1.486 COCCCC(=O)N1CC(C1)C 527a_100000702820_100000741012 [0,1,0,1,0,0|2,0,0]=4 18778 B12R1.486 COCCCC(=O)N1CC(C1)F 11a_100000690557_100000741012 [0,1,0,1,0,0|2,0,0]=4 18779 B12R1.486 COCCCC(=O)N1CC(C1)F 240690a_100000690557_100000741012 [0,1,0,1,0,0|2,0,0]=4 18780 B12R1.486 COCCCC(=O)N1CC(C1)F 527a_100000690557_100000741012 [0,1,0,1,0,0|2,0,0]=4 18781 B12R1.486 COCCCC(=O)N1CC(C1)O 11a_100000749847_100000741012 [0,1,0,1,0,0|2,0,0]=4 18782 B12R1.486 COCCCC(=O)N1CC(C1)O 240690a_100000749847_100000741012 [0,1,0,1,0,0|2,0,0]=4 18783 B12R1.486 COCCCC(=O)N1CC(C1)O 527a_100000749847_100000741012 [0,1,0,1,0,0|2,0,0]=4 18784 B12R1.486 COCCCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000740836 [0,1,0,1,0,0|2,0,0]=4 18785 B12R1.486 CSCCCC(=O)N1CC(C1)C 11a_100000702820_100000173376 [0,1,0,1,0,0|2,0,0]=4 18786 B12R1.486 CSCCCC(=O)N1CC(C1)C 240690a_100000702820_100000173376 [0,1,0,1,0,0|2,0,0]=4 18787 B12R1.486 CSCCCC(=O)N1CC(C1)C 527a_100000702820_100000173376 [0,1,0,1,0,0|2,0,0]=4 18788 B12R1.486 CSCCCC(=O)N1CC(C1)F 11a_100000690557_100000173376 [0,1,0,1,0,0|2,0,0]=4 18789 B12R1.486 CSCCCC(=O)N1CC(C1)F 240690a_100000690557_100000173376 [0,1,0,1,0,0|2,0,0]=4 18790 B12R1.486 CSCCCC(=O)N1CC(C1)F 527a_100000690557_100000173376 [0,1,0,1,0,0|2,0,0]=4 18791 B12R1.486 CSCCCC(=O)N1CC(C1)O 11a_100000749847_100000173376 [0,1,0,1,0,0|2,0,0]=4 18792 B12R1.486 CSCCCC(=O)N1CC(C1)O 240690a_100000749847_100000173376 [0,1,0,1,0,0|2,0,0]=4 18793 B12R1.486 CSCCCC(=O)N1CC(C1)O 527a_100000749847_100000173376 [0,1,0,1,0,0|2,0,0]=4 18794 B12R1.486 O=C(CCCCF)C1CC(C1)F 1458a_100000062598_100000729493 [0,1,0,1,0,0|2,0,0]=4 18795 B12R1.486 O=C(CCCCF)[C@H]1C[C@H](C1)O 1458a_100015266633_100000729493 [0,1,0,1,0,0|2,0,0]=4 18796 B12R1.486 O=C(CCCCO)C1CC(C1)F 1458a_100000062598_100000210776 [0,1,0,1,0,0|2,0,0]=4 18797 B12R1.486 O=C(CCCCO)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210776 [0,1,0,1,0,0|2,0,0]=4 18798 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_100000763092_100000730704 [0,1,0,1,0,0|1,0,1]=4 18799 B12R1.551 C=C(C)CCC(=O)CC1CCC1 1458a_200000688413_100000763275 [0,1,0,1,0,0|1,0,1]=4 18800 B12R1.551 C=C(C)CNC(=O)CC1CCC1 11a_100000765925_100000763092 [0,1,0,1,0,0|1,0,1]=4 18801 B12R1.551 C=C(C)CNC(=O)CC1CCC1 1626a_100000765925_100000763092 [0,1,0,1,0,0|1,0,1]=4 18802 B12R1.551 C=C(C)CNC(=O)CC1CCC1 240690a_100000765925_100000763092 [0,1,0,1,0,0|1,0,1]=4 18803 B12R1.551 C=C(C)CNC(=O)CC1CCC1 527a_100000765925_100000763092 [0,1,0,1,0,0|1,0,1]=4 18804 B12R1.551 CC(C)C=CC(=O)CC1CCC1 1458a_100016268746_100000763275 [0,1,0,1,0,0|1,0,1]=4 18805 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000181311_100000763275 [0,1,0,1,0,0|1,0,0]=3 18806 B12R1.551 CC(C)CCC(=O)CC1CCC1 1458a_100000763092_100000210312 [0,1,0,1,0,0|1,0,0]=3 18807 B12R1.551 CC(C)CCC(=O)CC1CCO1 1458a_100000181311_100000103362 [0,1,0,1,0,0|2,0,0]=4 18808 B12R1.551 CC(C)CCC(=O)CC1COC1 1458a_100000181311_100010264016 [0,1,0,1,0,0|2,0,0]=4 18809 B12R1.551 CC(C)CCC(=O)CC1COC1 1458a_100000687760_100000210312 [0,1,0,1,0,0|2,0,0]=4 18810 B12R1.551 CC(C)CCC(=O)NC1CCC1 11a_100000749019_100000181311 [0,1,0,1,0,0|2,0,0]=4 18811 B12R1.551 CC(C)CCC(=O)NC1CCC1 1626a_100000749019_100000181311 [0,1,0,1,0,0|2,0,0]=4 18812 B12R1.551 CC(C)CCC(=O)NC1CCC1 240690a_100000749019_100000181311 [0,1,0,1,0,0|2,0,0]=4 18813 B12R1.551 CC(C)CCC(=O)NC1CCC1 527a_100000749019_100000181311 [0,1,0,1,0,0|2,0,0]=4 18814 B12R1.551 CC(C)CNC(=O)CC1CCC1 11a_100000210953_100000763092 [0,1,0,1,0,0|1,0,0]=3 18815 B12R1.551 CC(C)CNC(=O)CC1CCC1 1626a_100000210953_100000763092 [0,1,0,1,0,0|1,0,0]=3 18816 B12R1.551 CC(C)CNC(=O)CC1CCC1 240690a_100000210953_100000763092 [0,1,0,1,0,0|1,0,0]=3 18817 B12R1.551 CC(C)CNC(=O)CC1CCC1 527a_100000210953_100000763092 [0,1,0,1,0,0|1,0,0]=3 18818 B12R1.551 CC(C)CNC(=O)CC1COC1 11a_100000210953_100000687760 [0,1,0,1,0,0|2,0,0]=4 18819 B12R1.551 CC(C)CNC(=O)CC1COC1 1626a_100000210953_100000687760 [0,1,0,1,0,0|2,0,0]=4 18820 B12R1.551 CC(C)CNC(=O)CN1CCC1 269982a_100000754969_100000183291 [0,1,0,1,0,0|2,0,0]=4 18821 B12R1.551 CC(C)CNC(=O)NC1CCC1 2708a_100000210953_100000749019 [0,1,0,1,0,0|2,0,0]=4 18822 B12R1.551 CC(C)CNC(=O)NC1CCC1 273464a_100000210953_100000749019 [0,1,0,1,0,0|2,0,0]=4 18823 B12R1.551 CC(C)CNC(=O)NC1CCC1 273464a_100000749019_100000210953 [0,1,0,1,0,0|2,0,0]=4 18824 B12R1.551 CC(C)CNC(=O)NC1CCC1 512a_100000210953_100000749019 [0,1,0,1,0,0|2,0,0]=4 18825 B12R1.551 CC(C)CNC(=O)NC1CCC1 512a_100000749019_100000210953 [0,1,0,1,0,0|2,0,0]=4 18826 B12R1.551 CC(C)NNC(=O)CC1CCC1 22a_100000741168_100000763092 [0,1,0,1,0,0|2,0,0]=4 18827 B12R1.551 CC(C)OCC(=O)CC1CCC1 1458a_100000745533_100000763275 [0,1,0,1,0,0|2,0,0]=4 18828 B12R1.551 CC(C)SCC(=O)CC1CCC1 1458a_100000241585_100000763275 [0,1,0,1,0,0|2,0,0]=4 18829 B12R1.551 CC(O)CCC(=O)CC1CCC1 1458a_100000763092_100012276601 [0,1,0,1,0,0|1,0,0]=3 18830 B12R1.551 CC(O)CCC(=O)CC1COC1 1458a_100000687760_100012276601 [0,1,0,1,0,0|2,0,0]=4 18831 B12R1.551 CC(O)CCC(=O)NC1CCC1 1626a_100000749019_100000718519 [0,1,0,1,0,0|2,0,0]=4 18832 B12R1.551 CC(O)CNC(=O)CC1CCC1 11a_100000210904_100000763092 [0,1,0,1,0,0|1,0,0]=3 18833 B12R1.551 CC(O)CNC(=O)CC1CCC1 240690a_100000210904_100000763092 [0,1,0,1,0,0|1,0,0]=3 18834 B12R1.551 CC(O)CNC(=O)CC1CCC1 527a_100000210904_100000763092 [0,1,0,1,0,0|1,0,0]=3 18835 B12R1.551 CC(O)CNC(=O)CC1COC1 11a_100000210904_100000687760 [0,1,0,1,0,0|2,0,0]=4 18836 B12R1.551 CC(O)CNC(=O)NC1CCC1 273464a_100000210904_100000749019 [0,1,0,1,0,0|2,0,0]=4 18837 B12R1.551 CC(O)CNC(=O)NC1CCC1 273464a_100000749019_100000210904 [0,1,0,1,0,0|2,0,0]=4 18838 B12R1.551 CC(O)CNC(=O)NC1CCC1 512a_100000210904_100000749019 [0,1,0,1,0,0|2,0,0]=4 18839 B12R1.551 CC(O)CNC(=O)NC1CCC1 512a_100000749019_100000210904 [0,1,0,1,0,0|2,0,0]=4 18840 B12R1.551 C[S+](C)CCC(=O)CC1CCC1 1458a_100009452791_100000763275 [0,1,0,1,0,0|2,0,0]=4 18841 B12R1.551 O=C(CC1CCC1)NCC(F)F 11a_100000765723_100000763092 [0,1,0,1,0,0|2,0,0]=4 18842 B12R1.551 O=C(CC1CCC1)NCC(F)F 1626a_100000765723_100000763092 [0,1,0,1,0,0|2,0,0]=4 18843 B12R1.551 O=C(CC1CCC1)NCC(F)F 240690a_100000765723_100000763092 [0,1,0,1,0,0|2,0,0]=4 18844 B12R1.551 O=C(CC1CCC1)NCC(F)F 527a_100000765723_100000763092 [0,1,0,1,0,0|2,0,0]=4 18845 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_100000756386_100000730704 [0,1,0,1,0,0|1,0,1]=4 18846 B12R1.552 C=C(C)CCC(=O)CCC1CC1 1458a_200000688413_100000694398 [0,1,0,1,0,0|1,0,1]=4 18847 B12R1.552 C=C(C)CNC(=O)CCC1CC1 11a_100000765925_100000756386 [0,1,0,1,0,0|1,0,1]=4 18848 B12R1.552 C=C(C)CNC(=O)CCC1CC1 1626a_100000765925_100000756386 [0,1,0,1,0,0|1,0,1]=4 18849 B12R1.552 C=C(C)CNC(=O)CCC1CC1 240690a_100000765925_100000756386 [0,1,0,1,0,0|1,0,1]=4 18850 B12R1.552 C=C(C)CNC(=O)CCC1CC1 527a_100000765925_100000756386 [0,1,0,1,0,0|1,0,1]=4 18851 B12R1.552 CC(C)C=CC(=O)CCC1CC1 1458a_100016268746_100000694398 [0,1,0,1,0,0|1,0,1]=4 18852 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000181311_100000694398 [0,1,0,1,0,0|1,0,0]=3 18853 B12R1.552 CC(C)CCC(=O)CCC1CC1 1458a_100000756386_100000210312 [0,1,0,1,0,0|1,0,0]=3 18854 B12R1.552 CC(C)CCC(=O)CCC1CO1 1458a_100000181311_100000732470 [0,1,0,1,0,0|2,0,0]=4 18855 B12R1.552 CC(C)CCC(=O)NCC1CC1 11a_100000735609_100000181311 [0,1,0,1,0,0|2,0,0]=4 18856 B12R1.552 CC(C)CCC(=O)NCC1CC1 1626a_100000735609_100000181311 [0,1,0,1,0,0|2,0,0]=4 18857 B12R1.552 CC(C)CCC(=O)NCC1CC1 240690a_100000735609_100000181311 [0,1,0,1,0,0|2,0,0]=4 18858 B12R1.552 CC(C)CCC(=O)NCC1CC1 527a_100000735609_100000181311 [0,1,0,1,0,0|2,0,0]=4 18859 B12R1.552 CC(C)CNC(=O)CCC1CC1 11a_100000210953_100000756386 [0,1,0,1,0,0|1,0,0]=3 18860 B12R1.552 CC(C)CNC(=O)CCC1CC1 1626a_100000210953_100000756386 [0,1,0,1,0,0|1,0,0]=3 18861 B12R1.552 CC(C)CNC(=O)CCC1CC1 240690a_100000210953_100000756386 [0,1,0,1,0,0|1,0,0]=3 18862 B12R1.552 CC(C)CNC(=O)CCC1CC1 527a_100000210953_100000756386 [0,1,0,1,0,0|1,0,0]=3 18863 B12R1.552 CC(C)CNC(=O)CNC1CC1 34a_100000212008_100000183291 [0,1,0,1,0,0|2,0,0]=4 18864 B12R1.552 CC(C)CNC(=O)CSC1CC1 62a_100000183291_100000211595 [0,1,0,1,0,0|2,0,0]=4 18865 B12R1.552 CC(C)CNC(=O)NCC1CC1 2708a_100000210953_100000735609 [0,1,0,1,0,0|2,0,0]=4 18866 B12R1.552 CC(C)CNC(=O)NCC1CC1 2708a_100000735609_100000210953 [0,1,0,1,0,0|2,0,0]=4 18867 B12R1.552 CC(C)CNC(=O)NCC1CC1 273464a_100000210953_100000735609 [0,1,0,1,0,0|2,0,0]=4 18868 B12R1.552 CC(C)CNC(=O)NCC1CC1 273464a_100000735609_100000210953 [0,1,0,1,0,0|2,0,0]=4 18869 B12R1.552 CC(C)CNC(=O)NCC1CC1 512a_100000210953_100000735609 [0,1,0,1,0,0|2,0,0]=4 18870 B12R1.552 CC(C)CNC(=O)NCC1CC1 512a_100000735609_100000210953 [0,1,0,1,0,0|2,0,0]=4 18871 B12R1.552 CC(C)NNC(=O)CCC1CC1 22a_100000741168_100000756386 [0,1,0,1,0,0|2,0,0]=4 18872 B12R1.552 CC(C)OCC(=O)CCC1CC1 1458a_100000745533_100000694398 [0,1,0,1,0,0|2,0,0]=4 18873 B12R1.552 CC(C)SCC(=O)CCC1CC1 1458a_100000241585_100000694398 [0,1,0,1,0,0|2,0,0]=4 18874 B12R1.552 CC(O)CCC(=O)CCC1CC1 1458a_100000756386_100012276601 [0,1,0,1,0,0|1,0,0]=3 18875 B12R1.552 CC(O)CCC(=O)NCC1CC1 1626a_100000735609_100000718519 [0,1,0,1,0,0|2,0,0]=4 18876 B12R1.552 CC(O)CNC(=O)CCC1CC1 11a_100000210904_100000756386 [0,1,0,1,0,0|1,0,0]=3 18877 B12R1.552 CC(O)CNC(=O)CCC1CC1 240690a_100000210904_100000756386 [0,1,0,1,0,0|1,0,0]=3 18878 B12R1.552 CC(O)CNC(=O)CCC1CC1 527a_100000210904_100000756386 [0,1,0,1,0,0|1,0,0]=3 18879 B12R1.552 CC(O)CNC(=O)NCC1CC1 2708a_100000735609_100000210904 [0,1,0,1,0,0|2,0,0]=4 18880 B12R1.552 CC(O)CNC(=O)NCC1CC1 273464a_100000210904_100000735609 [0,1,0,1,0,0|2,0,0]=4 18881 B12R1.552 CC(O)CNC(=O)NCC1CC1 273464a_100000735609_100000210904 [0,1,0,1,0,0|2,0,0]=4 18882 B12R1.552 CC(O)CNC(=O)NCC1CC1 512a_100000210904_100000735609 [0,1,0,1,0,0|2,0,0]=4 18883 B12R1.552 CC(O)CNC(=O)NCC1CC1 512a_100000735609_100000210904 [0,1,0,1,0,0|2,0,0]=4 18884 B12R1.552 C[S+](C)CCC(=O)CCC1CC1 1458a_100009452791_100000694398 [0,1,0,1,0,0|2,0,0]=4 18885 B12R1.552 O=C(CCC1CC1)NCC(F)F 11a_100000765723_100000756386 [0,1,0,1,0,0|2,0,0]=4 18886 B12R1.552 O=C(CCC1CC1)NCC(F)F 1626a_100000765723_100000756386 [0,1,0,1,0,0|2,0,0]=4 18887 B12R1.552 O=C(CCC1CC1)NCC(F)F 240690a_100000765723_100000756386 [0,1,0,1,0,0|2,0,0]=4 18888 B12R1.552 O=C(CCC1CC1)NCC(F)F 527a_100000765723_100000756386 [0,1,0,1,0,0|2,0,0]=4 18889 B12R1.804 CC1(COC(=O)[C@@H]1OCCF)C 34a_100009815050_100011217306 [0,1,0,1,0,0|2,0,0]=4 18890 B12R1.804 CC1(COC(=O)[C@@H]1OCCF)C 7a_100009815050_100011217306 [0,1,0,1,0,0|2,0,0]=4 18891 B12R1.804 CC1(COC(=O)[C@@H]1OCCO)C 34a_100009815050_100000211926 [0,1,0,1,0,0|2,0,0]=4 18892 B12R1.804 CC1(COC(=O)[C@@H]1OCCO)C 7a_100009815050_100000211926 [0,1,0,1,0,0|2,0,0]=4 18893 B12R1.804 CCCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100000210303 [0,1,0,1,0,0|1,0,0]=3 18894 B12R1.804 CCCO[C@H]1C(=O)OCC1(C)C 7a_100009815050_100000210303 [0,1,0,1,0,0|1,0,0]=3 18895 B12R1.804 CSCO[C@H]1C(=O)OCC1(C)C 34a_100009815050_100011218213 [0,1,0,1,0,0|2,0,0]=4 18896 B12R1.1343 CC(Br)COC1CCCCCC1 34a_100012180447_100011217769 [0,1,0,1,0,0|1,0,1]=4 18897 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210257_100011217769 [0,1,0,1,0,0|1,0,1]=4 18898 B12R1.1343 CC(C)COC1CCCCCC1 34a_100000210887_100000210624 [0,1,0,1,0,0|1,0,1]=4 18899 B12R1.1343 CC(C)COC1CCCCCC1 7a_100000210887_100000210760 [0,1,0,1,0,0|1,0,1]=4 18900 B12R1.1343 CC(F)COC1CCCCCC1 34a_100015925927_100011217769 [0,1,0,1,0,0|1,0,1]=4 18901 B12R1.1343 CC(O)COC1CCCCCC1 34a_100000210887_100011218427 [0,1,0,1,0,0|1,0,1]=4 18902 B12R1.1343 CC(O)COC1CCCCCC1 7a_100000210887_100011218427 [0,1,0,1,0,0|1,0,1]=4 18903 B12R1.1343 C[C@@H](Cl)COC1CCCCCC1 34a_100016084084_100011217769 [0,1,0,1,0,0|1,0,1]=4 18904 B12R1.1343 C[C@@H](N)COC1CCCCCC1 34a_100000737577_100011217769 [0,1,0,1,0,0|1,0,1]=4 18905 B12R1.1343 C[C@@H](O)COC1CCCCCC1 34a_100000210887_100009817552 [0,1,0,1,0,0|1,0,1]=4 18906 B12R1.1343 C[C@@H](O)COC1CCCCCC1 7a_100000210887_100009817552 [0,1,0,1,0,0|1,0,1]=4 18907 B12R1.2132 CC1(C[C@@H]1C(=O)CCCCF)C 1458a_100000692687_100000729493 [0,1,0,1,0,0|2,0,0]=4 18908 B12R1.2132 CC1(C[C@@H]1C(=O)CCCCO)C 1458a_100000692687_100000210776 [0,1,0,1,0,0|2,0,0]=4 18909 B12R1.2132 CCCCCC(=O)C1CC1(F)F 1458a_100000042250_100000210326 [0,1,0,1,0,0|2,0,0]=4 18910 B12R1.2132 CCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210326 [0,1,0,1,0,0|1,0,0]=3 18911 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 11a_100000102301_100000692687 [0,1,0,1,0,0|2,0,0]=4 18912 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 1626a_100000102301_100000692687 [0,1,0,1,0,0|2,0,0]=4 18913 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 240690a_100000102301_100000692687 [0,1,0,1,0,0|2,0,0]=4 18914 B12R1.2132 CCCCNC(=O)[C@H]1CC1(C)C 527a_100000102301_100000692687 [0,1,0,1,0,0|2,0,0]=4 18915 B12R1.2132 CCOCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011215890 [0,1,0,1,0,0|2,0,0]=4 18916 B12R1.2132 CCSCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000757381 [0,1,0,1,0,0|2,0,0]=4 18917 B12R1.2132 COCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100000740836 [0,1,0,1,0,0|2,0,0]=4 18918 B12R1.3110 CC(C)COC1(CCCCC1)C 34a_100011215885_100000210624 [0,1,0,1,0,0|1,0,1]=4 18919 B12R1.3110 CC(C)COC1(CCCCC1)C 7a_100011215885_100000210760 [0,1,0,1,0,0|1,0,1]=4 18920 B12R1.3110 CC(O)COC1(CCCCC1)C 34a_100011215885_100011218427 [0,1,0,1,0,0|1,0,1]=4 18921 B12R1.3110 CC(O)COC1(CCCCC1)C 7a_100011215885_100011218427 [0,1,0,1,0,0|1,0,1]=4 18922 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 34a_100011215885_100009817552 [0,1,0,1,0,0|1,0,1]=4 18923 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 7a_100011215885_100009817552 [0,1,0,1,0,0|1,0,1]=4 18924 B12R1.71 CCCOC1CCC(CC1)CC 34a_100011215326_100000210303 [0,1,0,1,0,0|1,0,1]=4 18925 B12R1.71 CCCOC1CCC(CC1)CC 7a_100011215326_100000210303 [0,1,0,1,0,0|1,0,1]=4 18926 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000209981_100000687798 [0,1,0,1,0,0|2,0,0]=4 18927 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000747585_100000758301 [0,1,0,1,0,0|2,0,0]=4 18928 B12R1.371 CCC(C)NC1CCCNC1=O 34a_100000747585_100011215416 [0,1,0,1,0,0|2,0,0]=4 18929 B12R1.371 CCC(C)OC1CCCCC1=O 34a_100011214950_100011215416 [0,1,0,1,0,0|2,0,0]=4 18930 B12R1.371 CCC(C)OC1CCCCC1=O 7a_100000210228_100000204591 [0,1,0,1,0,0|2,0,0]=4 18931 B12R1.371 CCC(C)OC1CCCNC1=O 34a_100000073722_100011215416 [0,1,0,1,0,0|2,0,0]=4 18932 B12R1.371 CCC(C)OC1CCCNC1=O 7a_100000210228_100000687798 [0,1,0,1,0,0|2,0,0]=4 18933 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000204591_100000758301 [0,1,0,1,0,0|2,0,0]=4 18934 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000758301_100000204591 [0,1,0,1,0,0|2,0,0]=4 18935 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000687798_100000758301 [0,1,0,1,0,0|2,0,0]=4 18936 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000758301_100000687798 [0,1,0,1,0,0|2,0,0]=4 18937 B12R1.385 CCCOC1CCC(C(C1)C)C 34a_100011215933_100000210303 [0,1,0,1,0,0|1,0,1]=4 18938 B12R1.385 CCCOC1CCC(C(C1)C)C 7a_100011215933_100000210303 [0,1,0,1,0,0|1,0,1]=4 18939 B12R1.463 C=C(CNC1CCC1)OCOC 34a_100000749019_100000042856 [0,1,0,1,0,0|2,0,0]=4 18940 B12R1.463 C=C(COC1CCC1)OCOC 34a_100000748187_100000042856 [0,1,0,1,0,0|2,0,0]=4 18941 B12R1.463 C=C(CSC1CCC1)OCOC 62a_100000042856_100000749161 [0,1,0,1,0,0|2,0,0]=4 18942 B12R1.463 C=CCOC(=O)CNC1CCC1 2230a_100000749019_100000033060 [0,1,0,1,0,0|0,0,2]=4 18943 B12R1.463 C=CCOC(=O)CNC1CCC1 34a_100000749019_100000033060 [0,1,0,1,0,0|0,0,2]=4 18944 B12R1.463 C=CCOC(=O)COC1CCC1 34a_100000748187_100000033060 [0,1,0,1,0,0|0,0,2]=4 18945 B12R1.463 C=CCOC(=O)CSC1CCC1 62a_100000033060_100000749161 [0,1,0,1,0,0|0,0,2]=4 18946 B12R1.463 CCC=CC(=O)NCC1CCC1 11a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18947 B12R1.463 CCC=CC(=O)NCC1CCC1 1626a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18948 B12R1.463 CCC=CC(=O)NCC1CCC1 240690a_100000738700_100000212282 [0,1,0,1,0,0|1,0,1]=4 18949 B12R1.463 CCCCC(=O)NCC1CCC1 11a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18950 B12R1.463 CCCCC(=O)NCC1CCC1 1626a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18951 B12R1.463 CCCCC(=O)NCC1CCC1 240690a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18952 B12R1.463 CCCCC(=O)NCC1CCC1 527a_100000738700_100000210183 [0,1,0,1,0,0|1,0,0]=3 18953 B12R1.463 CCCCC(=O)NCC1COC1 11a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18954 B12R1.463 CCCCC(=O)NCC1COC1 1626a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18955 B12R1.463 CCCCC(=O)NCC1COC1 240690a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18956 B12R1.463 CCCCC(=O)NCC1COC1 527a_100015281925_100000210183 [0,1,0,1,0,0|2,0,0]=4 18957 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18958 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18959 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18960 B12R1.463 CCCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000210183 [0,1,0,1,0,0|2,0,0]=4 18961 B12R1.463 CCCCC(=O)NNC1CCC1 22a_100000736358_100000210183 [0,1,0,1,0,0|2,0,0]=4 18962 B12R1.463 CCCNC(=O)CNC1CCC1 2230a_100000749019_100000183358 [0,1,0,1,0,0|1,0,0]=3 18963 B12R1.463 CCCNC(=O)CNC1CCC1 270004a_100000174927_100000241760 [0,1,0,1,0,0|1,0,0]=3 18964 B12R1.463 CCCNC(=O)CNC1CCC1 34a_100000749019_100000183358 [0,1,0,1,0,0|1,0,0]=3 18965 B12R1.463 CCCNC(=O)CNC1COC1 2230a_100016991112_100000183358 [0,1,0,1,0,0|2,0,0]=4 18966 B12R1.463 CCCNC(=O)COC1CCC1 34a_100000748187_100000183358 [0,1,0,1,0,0|1,0,0]=3 18967 B12R1.463 CCCNC(=O)COC1CSC1 7a_100000072292_100000183358 [0,1,0,1,0,0|2,0,0]=4 18968 B12R1.463 CCCNC(=O)CSC1CCC1 62a_100000183358_100000749161 [0,1,0,1,0,0|1,0,0]=3 18969 B12R1.463 CCCNC(=O)CSC1COC1 62a_100000183358_100009818527 [0,1,0,1,0,0|2,0,0]=4 18970 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18971 B12R1.463 CCCNC(=O)NCC1CCC1 2708a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18972 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18973 B12R1.463 CCCNC(=O)NCC1CCC1 273464a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18974 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100000738700_100020643023 [0,1,0,1,0,0|1,0,0]=3 18975 B12R1.463 CCCNC(=O)NCC1CCC1 512a_100020643023_100000738700 [0,1,0,1,0,0|1,0,0]=3 18976 B12R1.463 CCCNC(=O)NCC1COC1 2708a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18977 B12R1.463 CCCNC(=O)NCC1COC1 2708a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18978 B12R1.463 CCCNC(=O)NCC1COC1 273464a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18979 B12R1.463 CCCNC(=O)NCC1COC1 273464a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18980 B12R1.463 CCCNC(=O)NCC1COC1 512a_100015281925_100020643023 [0,1,0,1,0,0|2,0,0]=4 18981 B12R1.463 CCCNC(=O)NCC1COC1 512a_100020643023_100015281925 [0,1,0,1,0,0|2,0,0]=4 18982 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 2708a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18983 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18984 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 273464a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18985 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18986 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 512a_100020643023_100020831831 [0,1,0,1,0,0|2,0,0]=4 18987 B12R1.463 CCCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100020643023 [0,1,0,1,0,0|2,0,0]=4 18988 B12R1.463 CCCNC(=O)NNC1CCC1 273464a_100020643023_100000736358 [0,1,0,1,0,0|2,0,0]=4 18989 B12R1.463 CCCNC(=O)NNC1CCC1 512a_100000736358_100020643023 [0,1,0,1,0,0|2,0,0]=4 18990 B12R1.463 CCCNC(=O)NNC1CCC1 512a_100020643023_100000736358 [0,1,0,1,0,0|2,0,0]=4 18991 B12R1.463 CCCOC(=O)CNC1CCC1 2230a_100000749019_200011215008 [0,1,0,1,0,0|0,0,0]=2 18992 B12R1.463 CCCOC(=O)CNC1CCC1 34a_100000749019_200011215008 [0,1,0,1,0,0|0,0,0]=2 18993 B12R1.463 CCCOC(=O)CNC1COC1 2230a_100016991112_200011215008 [0,1,0,1,0,0|1,0,0]=3 18994 B12R1.463 CCCOC(=O)COC1CCC1 34a_100000748187_200011215008 [0,1,0,1,0,0|0,0,0]=2 18995 B12R1.463 CCCOC(=O)COC1CSC1 7a_100000072292_200011215008 [0,1,0,1,0,0|1,0,0]=3 18996 B12R1.463 CCCOC(=O)CSC1CCC1 62a_200011215008_100000749161 [0,1,0,1,0,0|0,0,0]=2 18997 B12R1.463 CCCOC(=O)CSC1COC1 62a_200011215008_100009818527 [0,1,0,1,0,0|1,0,0]=3 18998 B12R1.463 CCCOC(=O)OCN1CCC1 269982a_100000754969_200000139673 [0,1,0,1,0,0|1,0,0]=3 18999 B12R1.463 CCCOC(C)CNC1CCC1 270004a_100015185124_100000241760 [0,1,0,1,0,0|1,0,1]=4 19000 B12R1.463 CCCOC(C)CNC1CCC1 34a_100015185124_100000749161 [0,1,0,1,0,0|1,0,1]=4 19001 B12R1.463 CCNNC(=O)NCC1CCC1 273464a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 19002 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000738700_100000756455 [0,1,0,1,0,0|2,0,0]=4 19003 B12R1.463 CCNNC(=O)NCC1CCC1 512a_100000756455_100000738700 [0,1,0,1,0,0|2,0,0]=4 19004 B12R1.463 CCOCC(=O)NCC1CCC1 11a_100000738700_100000211967 [0,1,0,1,0,0|2,0,0]=4 19005 B12R1.463 CCOCC(=O)NCC1CCC1 1626a_100000738700_100000211967 [0,1,0,1,0,0|2,0,0]=4 19006 B12R1.463 CCOCC(=O)NCC1CCC1 240690a_100000738700_100000211967 [0,1,0,1,0,0|2,0,0]=4 19007 B12R1.463 CCOCC(=O)NCC1CCC1 527a_100000738700_100000211967 [0,1,0,1,0,0|2,0,0]=4 19008 B12R1.463 CCSCC(=O)NCC1CCC1 11a_100000738700_100000230394 [0,1,0,1,0,0|2,0,0]=4 19009 B12R1.463 CCSCC(=O)NCC1CCC1 1626a_100000738700_100000230394 [0,1,0,1,0,0|2,0,0]=4 19010 B12R1.463 CCSCC(=O)NCC1CCC1 240690a_100000738700_100000230394 [0,1,0,1,0,0|2,0,0]=4 19011 B12R1.463 CCSCC(=O)NCC1CCC1 527a_100000738700_100000230394 [0,1,0,1,0,0|2,0,0]=4 19012 B12R1.463 COCCC(=O)NCC1CCC1 11a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 19013 B12R1.463 COCCC(=O)NCC1CCC1 1626a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 19014 B12R1.463 COCCC(=O)NCC1CCC1 240690a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 19015 B12R1.463 COCCC(=O)NCC1CCC1 527a_100000738700_100000749529 [0,1,0,1,0,0|2,0,0]=4 19016 B12R1.463 CSCCC(=O)NCC1CCC1 11a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 19017 B12R1.463 CSCCC(=O)NCC1CCC1 1626a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 19018 B12R1.463 CSCCC(=O)NCC1CCC1 240690a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 19019 B12R1.463 CSCCC(=O)NCC1CCC1 527a_100000738700_100000174002 [0,1,0,1,0,0|2,0,0]=4 19020 B12R1.463 O=C(CNC1CCC1)NCCF 270004a_100000725713_100000241760 [0,1,0,1,0,0|2,0,0]=4 19021 B12R1.463 O=C(NCCF)NCC1CCC1 2708a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 19022 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000724931_100000738700 [0,1,0,1,0,0|2,0,0]=4 19023 B12R1.463 O=C(NCCF)NCC1CCC1 273464a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 19024 B12R1.463 O=C(NCCF)NCC1CCC1 512a_100000738700_100000724931 [0,1,0,1,0,0|2,0,0]=4 19025 B12R1.463 O=C(NCCO)NCC1CCC1 2708a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 19026 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000210304_100000738700 [0,1,0,1,0,0|2,0,0]=4 19027 B12R1.463 O=C(NCCO)NCC1CCC1 273464a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 19028 B12R1.463 O=C(NCCO)NCC1CCC1 512a_100000738700_100000210304 [0,1,0,1,0,0|2,0,0]=4 19029 B12R1.549 CCCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183358 [0,1,0,1,0,0|2,0,0]=4 19030 B12R1.549 CCCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183358 [0,1,0,1,0,0|2,0,0]=4 19031 B12R1.549 CCCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183358 [0,1,0,1,0,0|2,0,0]=4 19032 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_200011215008 [0,1,0,1,0,0|1,0,0]=3 19033 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_200011215008 [0,1,0,1,0,0|1,0,0]=3 19034 B12R1.549 CCCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_200011215008 [0,1,0,1,0,0|1,0,0]=3 19035 B12R1.882 CCCCC(=O)NCC1(CC1)C 11a_100000766693_100000210183 [0,1,0,1,0,0|2,0,0]=4 19036 B12R1.882 CCCCC(=O)NCC1(CC1)C 1626a_100000766693_100000210183 [0,1,0,1,0,0|2,0,0]=4 19037 B12R1.882 CCCCC(=O)NCC1(CC1)C 240690a_100000766693_100000210183 [0,1,0,1,0,0|2,0,0]=4 19038 B12R1.882 CCCCC(=O)NCC1(CC1)C 527a_100000766693_100000210183 [0,1,0,1,0,0|2,0,0]=4 19039 B12R1.882 CCCCC(=O)NCC1(CC1)O 11a_100011936951_100000210183 [0,1,0,1,0,0|2,0,0]=4 19040 B12R1.882 CCCCC(=O)NCC1(CC1)O 240690a_100011936951_100000210183 [0,1,0,1,0,0|2,0,0]=4 19041 B12R1.882 CCCCC(=O)NCC1(CC1)O 527a_100011936951_100000210183 [0,1,0,1,0,0|2,0,0]=4 19042 B12R1.882 CCCNC(=O)CNC1(CC1)C 2230a_100000757604_100000183358 [0,1,0,1,0,0|2,0,0]=4 19043 B12R1.882 CCCNC(=O)COC1(CC1)C 7a_100011725673_100000183358 [0,1,0,1,0,0|2,0,0]=4 19044 B12R1.882 CCCNC(=O)NCC1(CC1)C 2708a_100000766693_100020643023 [0,1,0,1,0,0|2,0,0]=4 19045 B12R1.882 CCCNC(=O)NCC1(CC1)C 2708a_100020643023_100000766693 [0,1,0,1,0,0|2,0,0]=4 19046 B12R1.882 CCCNC(=O)NCC1(CC1)C 273464a_100000766693_100020643023 [0,1,0,1,0,0|2,0,0]=4 19047 B12R1.882 CCCNC(=O)NCC1(CC1)C 273464a_100020643023_100000766693 [0,1,0,1,0,0|2,0,0]=4 19048 B12R1.882 CCCNC(=O)NCC1(CC1)C 512a_100000766693_100020643023 [0,1,0,1,0,0|2,0,0]=4 19049 B12R1.882 CCCNC(=O)NCC1(CC1)C 512a_100020643023_100000766693 [0,1,0,1,0,0|2,0,0]=4 19050 B12R1.882 CCCNC(=O)NCC1(CC1)O 2708a_100011936951_100020643023 [0,1,0,1,0,0|2,0,0]=4 19051 B12R1.882 CCCNC(=O)NCC1(CC1)O 2708a_100020643023_100011936951 [0,1,0,1,0,0|2,0,0]=4 19052 B12R1.882 CCCNC(=O)NCC1(CC1)O 273464a_100020643023_100011936951 [0,1,0,1,0,0|2,0,0]=4 19053 B12R1.882 CCCNC(=O)NCC1(CC1)O 512a_100011936951_100020643023 [0,1,0,1,0,0|2,0,0]=4 19054 B12R1.882 CCCNC(=O)NCC1(CC1)O 512a_100020643023_100011936951 [0,1,0,1,0,0|2,0,0]=4 19055 B12R1.882 CCCOC(=O)CNC1(CC1)C 2230a_100000757604_200011215008 [0,1,0,1,0,0|1,0,0]=3 19056 B12R1.882 CCCOC(=O)COC1(CC1)C 7a_100011725673_200011215008 [0,1,0,1,0,0|1,0,0]=3 19057 B12R1.908 CCC(C)CCC(=O)C1CCC1 1458a_100000701222_100000749161 [0,1,0,1,0,0|1,0,0]=3 19058 B12R1.908 CCC(C)CCC(=O)C1COC1 1458a_100000701222_100000687716 [0,1,0,1,0,0|2,0,0]=4 19059 B12R1.908 CCC(C)CCC(=O)N1CCC1 11a_100000754969_100000701222 [0,1,0,1,0,0|1,0,0]=3 19060 B12R1.908 CCC(C)CCC(=O)N1CCC1 240690a_100000754969_100000701222 [0,1,0,1,0,0|1,0,0]=3 19061 B12R1.908 CCC(C)CCC(=O)N1CCC1 527a_100000754969_100000701222 [0,1,0,1,0,0|1,0,0]=3 19062 B12R1.908 CCC(C)CNC(=O)C1CCC1 11a_100020588543_100000209988 [0,1,0,1,0,0|2,0,0]=4 19063 B12R1.908 CCC(C)CNC(=O)C1CCC1 1626a_100020588543_100000209988 [0,1,0,1,0,0|2,0,0]=4 19064 B12R1.908 CCC(C)CNC(=O)C1CCC1 240690a_100020588543_100000209988 [0,1,0,1,0,0|2,0,0]=4 19065 B12R1.908 CCC(C)CNC(=O)C1CCC1 527a_100020588543_100000209988 [0,1,0,1,0,0|2,0,0]=4 19066 B12R1.908 CCC(C)CNC(=O)N1CCC1 2708a_100020588543_100000754969 [0,1,0,1,0,0|2,0,0]=4 19067 B12R1.908 CCC(C)CNC(=O)N1CCC1 273464a_100020588543_100000754969 [0,1,0,1,0,0|2,0,0]=4 19068 B12R1.908 CCC(C)NCC(=O)C1CCC1 2230a_100000209981_100000686122 [0,1,0,1,0,0|2,0,0]=4 19069 B12R1.908 CCC(C)NCC(=O)N1CCC1 2230a_100000209981_100000185095 [0,1,0,1,0,0|2,0,0]=4 19070 B12R1.908 CCC(C)OCC(=O)C1CCC1 7a_100000210228_100000686122 [0,1,0,1,0,0|2,0,0]=4 19071 B12R1.908 CCC(C)OCC(=O)N1CCC1 7a_100000210228_100000185095 [0,1,0,1,0,0|2,0,0]=4 19072 B12R1.908 CCC(C)SCC(=O)C1CCC1 62a_100000686122_100000758301 [0,1,0,1,0,0|2,0,0]=4 19073 B12R1.908 CCC(C)SCC(=O)C1CCC1 62a_100000758301_100000686122 [0,1,0,1,0,0|2,0,0]=4 19074 B12R1.908 CCC(C)SCC(=O)N1CCC1 62a_100000185095_100000758301 [0,1,0,1,0,0|2,0,0]=4 19075 B12R1.908 CCC(C)SCC(=O)N1CCC1 62a_100000758301_100000185095 [0,1,0,1,0,0|2,0,0]=4 19076 B12R1.908 CCC(O)CCC(=O)N1CCC1 240690a_100000754969_203496584001 [0,1,0,1,0,0|1,0,0]=3 19077 B12R1.908 CCC(O)CNC(=O)C1CCC1 11a_100011218483_100000209988 [0,1,0,1,0,0|2,0,0]=4 19078 B12R1.908 CCC(O)CNC(=O)C1CCC1 240690a_100011218483_100000209988 [0,1,0,1,0,0|2,0,0]=4 19079 B12R1.908 CCC(O)CNC(=O)C1CCC1 527a_100011218483_100000209988 [0,1,0,1,0,0|2,0,0]=4 19080 B12R1.908 CCC(O)CNC(=O)N1CCC1 273464a_100011218483_100000754969 [0,1,0,1,0,0|2,0,0]=4 19081 B12R1.908 CCN(C)CCC(=O)C1CCC1 1458a_100000755305_100000749161 [0,1,0,1,0,0|2,0,0]=4 19082 B12R1.908 CCN(C)CCC(=O)N1CCC1 240690a_100000754969_100000755305 [0,1,0,1,0,0|2,0,0]=4 19083 B12R1.908 CCS(=O)CCC(=O)C1CCC1 1458a_100011387550_100000749161 [0,1,0,1,0,0|2,0,0]=4 19084 B12R1.908 CCS(=O)CCC(=O)N1CCC1 11a_100000754969_100011387550 [0,1,0,1,0,0|2,0,0]=4 19085 B12R1.908 CCS(=O)CCC(=O)N1CCC1 240690a_100000754969_100011387550 [0,1,0,1,0,0|2,0,0]=4 19086 B12R1.908 CCS(=O)CCC(=O)N1CCC1 527a_100000754969_100011387550 [0,1,0,1,0,0|2,0,0]=4 19087 B12R1.910 CCC(C)CCC(=O)CC1CC1 1458a_100000701222_100000742324 [0,1,0,1,0,0|1,0,0]=3 19088 B12R1.910 CCC(C)CCC(=O)CC1CO1 1458a_100000701222_100011216344 [0,1,0,1,0,0|2,0,0]=4 19089 B12R1.910 CCC(C)CCC(=O)CC1CS1 1458a_100000701222_100000031435 [0,1,0,1,0,0|2,0,0]=4 19090 B12R1.910 CCC(C)CCC(=O)C[C@@H]1CO1 1458a_100000701222_100000745022 [0,1,0,1,0,0|2,0,0]=4 19091 B12R1.910 CCC(C)CCC(=O)NC1CC1 1626a_100000212008_100000701222 [0,1,0,1,0,0|1,0,0]=3 19092 B12R1.910 CCC(C)CCC(=O)NC1CC1 240690a_100000212008_100000701222 [0,1,0,1,0,0|1,0,0]=3 19093 B12R1.910 CCC(C)CCC(=O)NC1CC1 527a_100000212008_100000701222 [0,1,0,1,0,0|1,0,0]=3 19094 B12R1.910 CCC(C)CNC(=O)CC1CC1 11a_100020588543_100000738066 [0,1,0,1,0,0|2,0,0]=4 19095 B12R1.910 CCC(C)CNC(=O)CC1CC1 1626a_100020588543_100000738066 [0,1,0,1,0,0|2,0,0]=4 19096 B12R1.910 CCC(C)CNC(=O)CC1CC1 240690a_100020588543_100000738066 [0,1,0,1,0,0|2,0,0]=4 19097 B12R1.910 CCC(C)CNC(=O)CC1CC1 527a_100020588543_100000738066 [0,1,0,1,0,0|2,0,0]=4 19098 B12R1.910 CCC(C)CNC(=O)NC1CC1 2708a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 19099 B12R1.910 CCC(C)CNC(=O)NC1CC1 2708a_100020588543_100000212008 [0,1,0,1,0,0|2,0,0]=4 19100 B12R1.910 CCC(C)CNC(=O)NC1CC1 273464a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 19101 B12R1.910 CCC(C)CNC(=O)NC1CC1 273464a_100020588543_100000212008 [0,1,0,1,0,0|2,0,0]=4 19102 B12R1.910 CCC(C)CNC(=O)NC1CC1 512a_100000212008_100020588543 [0,1,0,1,0,0|2,0,0]=4 19103 B12R1.910 CCC(C)NCC(=O)NC1CC1 2230a_100000209981_100000182950 [0,1,0,1,0,0|2,0,0]=4 19104 B12R1.910 CCC(C)NCC(=O)NC1CC1 2230a_100000702991_100000758301 [0,1,0,1,0,0|2,0,0]=4 19105 B12R1.910 CCC(C)OCC(=O)NC1CC1 7a_100000210228_100000182950 [0,1,0,1,0,0|2,0,0]=4 19106 B12R1.910 CCC(C)SCC(=O)NC1CC1 62a_100000182950_100000758301 [0,1,0,1,0,0|2,0,0]=4 19107 B12R1.910 CCC(C)SCC(=O)NC1CC1 62a_100000758301_100000182950 [0,1,0,1,0,0|2,0,0]=4 19108 B12R1.910 CCC(O)CCC(=O)NC1CC1 1626a_100000212008_203496584001 [0,1,0,1,0,0|1,0,0]=3 19109 B12R1.910 CCC(O)CCC(=O)NC1CC1 240690a_100000212008_203496584001 [0,1,0,1,0,0|1,0,0]=3 19110 B12R1.910 CCC(O)CNC(=O)CC1CC1 11a_100011218483_100000738066 [0,1,0,1,0,0|2,0,0]=4 19111 B12R1.910 CCC(O)CNC(=O)CC1CC1 240690a_100011218483_100000738066 [0,1,0,1,0,0|2,0,0]=4 19112 B12R1.910 CCC(O)CNC(=O)CC1CC1 527a_100011218483_100000738066 [0,1,0,1,0,0|2,0,0]=4 19113 B12R1.910 CCC(O)CNC(=O)NC1CC1 2708a_100000212008_100011218483 [0,1,0,1,0,0|2,0,0]=4 19114 B12R1.910 CCC(O)CNC(=O)NC1CC1 273464a_100000212008_100011218483 [0,1,0,1,0,0|2,0,0]=4 19115 B12R1.910 CCC(O)CNC(=O)NC1CC1 273464a_100011218483_100000212008 [0,1,0,1,0,0|2,0,0]=4 19116 B12R1.910 CCN(C)CCC(=O)CC1CC1 1458a_100000755305_100000742324 [0,1,0,1,0,0|2,0,0]=4 19117 B12R1.910 CCN(C)CCC(=O)NC1CC1 2230a_100000225621_100000737409 [0,1,0,1,0,0|2,0,0]=4 19118 B12R1.910 CCN(C)CCC(=O)NC1CC1 240690a_100000212008_100000755305 [0,1,0,1,0,0|2,0,0]=4 19119 B12R1.910 CCN(C)CCC(=O)NC1CC1 269982a_100000225621_100000737409 [0,1,0,1,0,0|2,0,0]=4 19120 B12R1.910 CCS(=O)CCC(=O)CC1CC1 1458a_100011387550_100000742324 [0,1,0,1,0,0|2,0,0]=4 19121 B12R1.910 CCS(=O)CCC(=O)NC1CC1 1626a_100000212008_100011387550 [0,1,0,1,0,0|2,0,0]=4 19122 B12R1.910 CCS(=O)CCC(=O)NC1CC1 240690a_100000212008_100011387550 [0,1,0,1,0,0|2,0,0]=4 19123 B12R1.910 CCS(=O)CCC(=O)NC1CC1 527a_100000212008_100011387550 [0,1,0,1,0,0|2,0,0]=4 19124 B12R1.925 C=C(CN1CCC1C)OCOC 269982a_100000755817_100000042856 [0,1,0,1,0,0|2,0,0]=4 19125 B12R1.925 C=C(CN1CCC1C)OCOC 34a_100000755817_100000042856 [0,1,0,1,0,0|2,0,0]=4 19126 B12R1.925 C=CCOC(=O)CN1CCC1C 269982a_100000755817_100000033060 [0,1,0,1,0,0|0,0,2]=4 19127 B12R1.925 C=CCOC(=O)CN1CCC1C 34a_100000755817_100000033060 [0,1,0,1,0,0|0,0,2]=4 19128 B12R1.925 CCCNC(=O)CN1CCC1C 269982a_100000755817_100000183358 [0,1,0,1,0,0|1,0,0]=3 19129 B12R1.925 CCCNC(=O)CN1CCC1C 34a_100000755817_100000183358 [0,1,0,1,0,0|1,0,0]=3 19130 B12R1.925 CCCOC(=O)CN1CCC1C 269982a_100000755817_200011215008 [0,1,0,1,0,0|0,0,0]=2 19131 B12R1.925 CCCOC(=O)CN1CCC1C 34a_100000755817_200011215008 [0,1,0,1,0,0|0,0,0]=2 19132 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210303 [0,1,0,1,0,0|1,0,0]=3 19133 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210303 [0,1,0,1,0,0|1,0,0]=3 19134 B12R1.1452 CCCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210303 [0,1,0,1,0,0|1,0,0]=3 19135 B12R1.1452 COCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000766300 [0,1,0,1,0,0|2,0,0]=4 19136 B12R1.1452 COCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000766300 [0,1,0,1,0,0|2,0,0]=4 19137 B12R1.1452 CSCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100011218213 [0,1,0,1,0,0|2,0,0]=4 19138 B12R1.1452 CSCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100011218213 [0,1,0,1,0,0|2,0,0]=4 19139 B12R1.1452 CSCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100011218213 [0,1,0,1,0,0|2,0,0]=4 19140 B12R1.1452 C[C@H]1CNC(=O)CCN1CCF 2230a_102125656889_100011217306 [0,1,0,1,0,0|2,0,0]=4 19141 B12R1.1452 C[C@H]1CNC(=O)CCN1CCF 269982a_102125656889_100011217306 [0,1,0,1,0,0|2,0,0]=4 19142 B12R1.1452 C[C@H]1CNC(=O)CCN1CCF 34a_102125656889_100011217306 [0,1,0,1,0,0|2,0,0]=4 19143 B12R1.1452 C[C@H]1CNC(=O)CCN1CCO 2230a_102125656889_100000211926 [0,1,0,1,0,0|2,0,0]=4 19144 B12R1.1452 C[C@H]1CNC(=O)CCN1CCO 269982a_102125656889_100000211926 [0,1,0,1,0,0|2,0,0]=4 19145 B12R1.1452 C[C@H]1CNC(=O)CCN1CCO 34a_102125656889_100000211926 [0,1,0,1,0,0|2,0,0]=4 19146 B12R1.1657 CCC(C)N1CCCNC(=O)C1 2230a_100015190381_100000758301 [0,1,0,1,0,0|2,0,0]=4 19147 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000210183 [0,1,0,1,0,0|2,0,0]=4 19148 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000210183 [0,1,0,1,0,0|2,0,0]=4 19149 B12R1.2023 CCCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000210183 [0,1,0,1,0,0|2,0,0]=4 19150 B12R1.2023 CCCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100020643023_206633788156 [0,1,0,1,0,0|2,0,0]=4 19151 B12R1.2023 CCCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100020643023_206633788156 [0,1,0,1,0,0|2,0,0]=4 19152 B12R1.2259 CCCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100000210303 [0,1,0,1,0,0|1,0,1]=4 19153 B12R1.3608 CCC(C)CNC(=O)C1CC1C 11a_100020588543_100000211227 [0,1,0,1,0,0|2,0,0]=4 19154 B12R1.3608 CCC(C)CNC(=O)C1CC1C 1626a_100020588543_100000211227 [0,1,0,1,0,0|2,0,0]=4 19155 B12R1.3608 CCC(C)CNC(=O)C1CC1C 527a_100020588543_100000211227 [0,1,0,1,0,0|2,0,0]=4 19156 B12R1.3608 CCC(O)CNC(=O)C1CC1C 11a_100011218483_100000211227 [0,1,0,1,0,0|2,0,0]=4 19157 B12R1.3608 CCC(O)CNC(=O)C1CC1C 527a_100011218483_100000211227 [0,1,0,1,0,0|2,0,0]=4 19158 B12R1.8 CCCCCOC1CCCCO1 34a_100000033831_100000718602 [0,1,0,1,0,0|1,0,1]=4 19159 B12R1.8 CCCCNCC1CCCCO1 2230a_100000102301_100000211543 [0,1,0,1,0,0|1,0,1]=4 19160 B12R1.8 CCCCNCC1CCCCO1 2230a_100000174945_100000210211 [0,1,0,1,0,0|1,0,1]=4 19161 B12R1.8 CCCCNCC1CCCCO1 34a_100000174945_100000210210 [0,1,0,1,0,0|1,0,1]=4 19162 B12R1.8 CCCCNCC1CCCCO1 7a_106832991798_100000211543 [0,1,0,1,0,0|1,0,1]=4 19163 B12R1.8 CCCCOCC1CCCCO1 34a_100000210227_100000211543 [0,1,0,1,0,0|1,0,1]=4 19164 B12R1.8 CCCCOCC1CCCCO1 34a_100000211370_100000210210 [0,1,0,1,0,0|1,0,1]=4 19165 B12R1.8 CCCCOCC1CCCCO1 7a_100000210227_100000211543 [0,1,0,1,0,0|1,0,1]=4 19166 B12R1.8 CCCCOCC1CCCCO1 7a_100000211370_100000210211 [0,1,0,1,0,0|1,0,1]=4 19167 B12R1.8 CCCCSCC1CCCCO1 62a_100000210211_100000211543 [0,1,0,1,0,0|1,0,1]=4 19168 B12R1.8 CCCCSCC1CCCCO1 62a_100000211543_100000210210 [0,1,0,1,0,0|1,0,1]=4 19169 B12R1.8 CCCNCCC1=CCCCC1 2230a_100000212019_100000210303 [0,1,0,1,0,0|2,0,0]=4 19170 B12R1.8 CCCNCCC1=CCCCC1 34a_100000212019_100000210303 [0,1,0,1,0,0|2,0,0]=4 19171 B12R1.8 CCCNCCC1CCCCO1 2230a_100015183643_100000210303 [0,1,0,1,0,0|1,0,1]=4 19172 B12R1.8 CCCNCCC1CCCCO1 34a_100015183643_100000210303 [0,1,0,1,0,0|1,0,1]=4 19173 B12R1.8 CCCOCCC1OCCCO1 34a_100000210258_100000764188 [0,1,0,1,0,0|0,0,2]=4 19174 B12R1.8 CCCSCCC1OCCCO1 62a_100000210303_100000764188 [0,1,0,1,0,0|0,0,2]=4 19175 B12R1.8 CCCSCCC1OCCCO1 62a_100000764188_100000210303 [0,1,0,1,0,0|0,0,2]=4 19176 B12R1.267 CCCCNC1CCCCC1=O 7a_106832991798_100000204591 [0,1,0,1,0,0|1,0,0]=3 19177 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000102301_100000687798 [0,1,0,1,0,0|1,0,0]=3 19178 B12R1.267 CCCCNC1CCCNC1=O 2230a_100000747585_100000210211 [0,1,0,1,0,0|1,0,0]=3 19179 B12R1.267 CCCCNC1CCCNC1=O 34a_100000747585_100000210210 [0,1,0,1,0,0|1,0,0]=3 19180 B12R1.267 CCCCNC1CCCNC1=O 7a_106832991798_100000687798 [0,1,0,1,0,0|1,0,0]=3 19181 B12R1.267 CCCCNC1COCCC1=O 7a_106832991798_100012180262 [0,1,0,1,0,0|2,0,0]=4 19182 B12R1.267 CCCCOC1CCCCC1=O 34a_100000210227_100000754470 [0,1,0,1,0,0|1,0,0]=3 19183 B12R1.267 CCCCOC1CCCCC1=O 34a_100011214950_100000210210 [0,1,0,1,0,0|1,0,0]=3 19184 B12R1.267 CCCCOC1CCCCC1=O 7a_100000210227_100000204591 [0,1,0,1,0,0|1,0,0]=3 19185 B12R1.267 CCCCOC1CCCNC1=O 34a_100000073722_100000210210 [0,1,0,1,0,0|1,0,0]=3 19186 B12R1.267 CCCCOC1CCCNC1=O 34a_100000210227_100000687798 [0,1,0,1,0,0|1,0,0]=3 19187 B12R1.267 CCCCOC1CCCNC1=O 7a_100000210227_100000687798 [0,1,0,1,0,0|1,0,0]=3 19188 B12R1.267 CCCCOC1COCCC1=O 34a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 19189 B12R1.267 CCCCOC1COCCC1=O 7a_100000210227_100012180262 [0,1,0,1,0,0|2,0,0]=4 19190 B12R1.267 CCCCSC1CCCCC1=O 62a_100000204591_100000210210 [0,1,0,1,0,0|1,0,0]=3 19191 B12R1.267 CCCCSC1CCCCC1=O 62a_100000210211_100000204591 [0,1,0,1,0,0|1,0,0]=3 19192 B12R1.267 CCCCSC1CCCNC1=O 62a_100000210211_100000687798 [0,1,0,1,0,0|1,0,0]=3 19193 B12R1.267 CCCCSC1CCCNC1=O 62a_100000687798_100000210210 [0,1,0,1,0,0|1,0,0]=3 19194 B12R1.267 CCCCSC1COCCC1=O 62a_100000210211_100012180262 [0,1,0,1,0,0|2,0,0]=4 19195 B12R1.267 CCCCSC1COCCC1=O 62a_100012180262_100000210210 [0,1,0,1,0,0|2,0,0]=4 19196 B12R1.267 CCCOCC1CCCCC1=O 34a_100009861125_100000210303 [0,1,0,1,0,0|1,0,0]=3 19197 B12R1.267 CCCOCC1CCCCC1=O 7a_100009861125_100000210303 [0,1,0,1,0,0|1,0,0]=3 19198 B12R1.267 CCNCCN1CCCCC1=O 2230a_100160573077_100000210202 [0,1,0,1,0,0|2,0,0]=4 19199 B12R1.267 CCNCCN1CCCCC1=O 34a_100160573077_100000210202 [0,1,0,1,0,0|2,0,0]=4 19200 B12R1.267 CCOCCC1NCCNC1=O 34a_100000044719_100000210202 [0,1,0,1,0,0|2,0,0]=4 19201 B12R1.267 CCOCSC1CCCCC1=O 62a_100000204591_100000739092 [0,1,0,1,0,0|2,0,0]=4 19202 B12R1.267 CCOCSC1CCCCC1=O 62a_100000739092_100000204591 [0,1,0,1,0,0|2,0,0]=4 19203 B12R1.267 CCOCSC1CCCNC1=O 62a_100000687798_100000739092 [0,1,0,1,0,0|2,0,0]=4 19204 B12R1.267 CCOCSC1CCCNC1=O 62a_100000739092_100000687798 [0,1,0,1,0,0|2,0,0]=4 19205 B12R1.267 COCCNC1CCCNC1=O 2230a_100000209980_100000687798 [0,1,0,1,0,0|2,0,0]=4 19206 B12R1.267 COCCNC1CCCNC1=O 2230a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 19207 B12R1.267 COCCNC1CCCNC1=O 34a_100000747585_100011201679 [0,1,0,1,0,0|2,0,0]=4 19208 B12R1.267 COCCOC1CCCCC1=O 34a_100000210237_100000754470 [0,1,0,1,0,0|2,0,0]=4 19209 B12R1.267 COCCOC1CCCCC1=O 34a_100011214950_100011201679 [0,1,0,1,0,0|2,0,0]=4 19210 B12R1.267 COCCOC1CCCNC1=O 34a_100000073722_100011201679 [0,1,0,1,0,0|2,0,0]=4 19211 B12R1.267 COCCOC1CCCNC1=O 34a_100000210237_100000687798 [0,1,0,1,0,0|2,0,0]=4 19212 B12R1.267 COCCSC1CCCCC1=O 62a_100000204591_100000233755 [0,1,0,1,0,0|2,0,0]=4 19213 B12R1.267 COCCSC1CCCCC1=O 62a_100000233755_100000204591 [0,1,0,1,0,0|2,0,0]=4 19214 B12R1.267 COCCSC1CCCNC1=O 62a_100000233755_100000687798 [0,1,0,1,0,0|2,0,0]=4 19215 B12R1.267 COCCSC1CCCNC1=O 62a_100000687798_100000233755 [0,1,0,1,0,0|2,0,0]=4 19216 B12R1.267 CSCCNC1CCCNC1=O 2230a_100000747585_100000751147 [0,1,0,1,0,0|2,0,0]=4 19217 B12R1.267 CSCCNC1CCCNC1=O 2230a_100020590264_100000687798 [0,1,0,1,0,0|2,0,0]=4 19218 B12R1.267 CSCCNC1CCCNC1=O 34a_100000747585_100000212216 [0,1,0,1,0,0|2,0,0]=4 19219 B12R1.267 CSCCOC1CCCCC1=O 34a_100000230434_100000754470 [0,1,0,1,0,0|2,0,0]=4 19220 B12R1.267 CSCCOC1CCCCC1=O 34a_100011214950_100000212216 [0,1,0,1,0,0|2,0,0]=4 19221 B12R1.267 CSCCOC1CCCCC1=O 7a_100000230434_100000204591 [0,1,0,1,0,0|2,0,0]=4 19222 B12R1.267 CSCCOC1CCCNC1=O 34a_100000073722_100000212216 [0,1,0,1,0,0|2,0,0]=4 19223 B12R1.267 CSCCOC1CCCNC1=O 34a_100000230434_100000687798 [0,1,0,1,0,0|2,0,0]=4 19224 B12R1.267 CSCCOC1CCCNC1=O 7a_100000230434_100000687798 [0,1,0,1,0,0|2,0,0]=4 19225 B12R1.267 CSCCSC1CCCCC1=O 62a_100000204591_100000751147 [0,1,0,1,0,0|2,0,0]=4 19226 B12R1.267 CSCCSC1CCCCC1=O 62a_100000212216_100000204591 [0,1,0,1,0,0|2,0,0]=4 19227 B12R1.267 CSCCSC1CCCNC1=O 62a_100000212216_100000687798 [0,1,0,1,0,0|2,0,0]=4 19228 B12R1.267 CSCCSC1CCCNC1=O 62a_100000687798_100000751147 [0,1,0,1,0,0|2,0,0]=4 19229 B12R1.267 CSCOCC1CCCCC1=O 34a_100009861125_100011218213 [0,1,0,1,0,0|2,0,0]=4 19230 B12R1.267 NCCCOC1CCCCC1=O 34a_100000182051_100000754470 [0,1,0,1,0,0|2,0,0]=4 19231 B12R1.267 NCCCOC1CCCNC1=O 34a_100000182051_100000687798 [0,1,0,1,0,0|2,0,0]=4 19232 B12R1.267 O=C1CCCCC1COCCF 34a_100009861125_100011217306 [0,1,0,1,0,0|2,0,0]=4 19233 B12R1.267 O=C1CCCCC1COCCF 7a_100009861125_100011217306 [0,1,0,1,0,0|2,0,0]=4 19234 B12R1.267 O=C1CCCCC1COCCO 34a_100009861125_100000211926 [0,1,0,1,0,0|2,0,0]=4 19235 B12R1.267 O=C1CCCCC1COCCO 7a_100009861125_100000211926 [0,1,0,1,0,0|2,0,0]=4 19236 B12R1.267 O=C1CCCCC1NCCCF 34a_100015189416_100000754470 [0,1,0,1,0,0|2,0,0]=4 19237 B12R1.267 O=C1CCCCC1OCCCBr 34a_100011217188_100000754470 [0,1,0,1,0,0|2,0,0]=4 19238 B12R1.267 O=C1CCCCC1OCCCCl 34a_100000230001_100000754470 [0,1,0,1,0,0|2,0,0]=4 19239 B12R1.267 O=C1CCCCC1OCCCF 34a_100000759539_100000754470 [0,1,0,1,0,0|2,0,0]=4 19240 B12R1.267 O=C1CCCCC1OCCCF 34a_100011214950_100011934791 [0,1,0,1,0,0|2,0,0]=4 19241 B12R1.267 O=C1CCCCC1OCCCO 34a_100011214950_100000230001 [0,1,0,1,0,0|2,0,0]=4 19242 B12R1.267 O=C1CCCCC1SCCCF 62a_100000204591_100011934791 [0,1,0,1,0,0|2,0,0]=4 19243 B12R1.267 O=C1CCCCC1SCCCF 62a_100011934791_100000204591 [0,1,0,1,0,0|2,0,0]=4 19244 B12R1.267 O=C1CCCCC1SCCCO 62a_100000204591_100011215043 [0,1,0,1,0,0|2,0,0]=4 19245 B12R1.267 O=C1CCCCC1SCCCO 62a_100011215043_100000204591 [0,1,0,1,0,0|2,0,0]=4 19246 B12R1.267 O=C1NCCCC1NCCCF 2230a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 19247 B12R1.267 O=C1NCCCC1NCCCF 2230a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 19248 B12R1.267 O=C1NCCCC1NCCCF 34a_100000747585_100011934791 [0,1,0,1,0,0|2,0,0]=4 19249 B12R1.267 O=C1NCCCC1NCCCF 34a_100015189416_100000687798 [0,1,0,1,0,0|2,0,0]=4 19250 B12R1.267 O=C1NCCCC1NCCCO 2230a_100000747585_100000230001 [0,1,0,1,0,0|2,0,0]=4 19251 B12R1.267 O=C1NCCCC1NCCCO 34a_100000747585_100000230001 [0,1,0,1,0,0|2,0,0]=4 19252 B12R1.267 O=C1NCCCC1OCCCBr 34a_100011217188_100000687798 [0,1,0,1,0,0|2,0,0]=4 19253 B12R1.267 O=C1NCCCC1OCCCCl 34a_100000230001_100000687798 [0,1,0,1,0,0|2,0,0]=4 19254 B12R1.267 O=C1NCCCC1OCCCF 34a_100000073722_100011934791 [0,1,0,1,0,0|2,0,0]=4 19255 B12R1.267 O=C1NCCCC1OCCCF 34a_100000759539_100000687798 [0,1,0,1,0,0|2,0,0]=4 19256 B12R1.267 O=C1NCCCC1OCCCO 34a_100000073722_100000230001 [0,1,0,1,0,0|2,0,0]=4 19257 B12R1.267 O=C1NCCCC1SCCCF 62a_100000687798_100011934791 [0,1,0,1,0,0|2,0,0]=4 19258 B12R1.267 O=C1NCCCC1SCCCF 62a_100011934791_100000687798 [0,1,0,1,0,0|2,0,0]=4 19259 B12R1.267 O=C1NCCCC1SCCCO 62a_100000687798_100011215043 [0,1,0,1,0,0|2,0,0]=4 19260 B12R1.267 O=C1NCCCC1SCCCO 62a_100011215043_100000687798 [0,1,0,1,0,0|2,0,0]=4 19261 B12R1.329 CCCOC1C=CCCCCC1 34a_100000688657_100000210303 [0,1,0,1,0,0|1,0,1]=4 19262 B12R1.329 CCCOC1CCCCCCC1 34a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 19263 B12R1.329 CCCOC1CCCCCCC1 7a_100000210054_100000210303 [0,1,0,1,0,0|1,0,1]=4 19264 B12R1.333 CCCCN1CC(C1)OCCC 269982a_200020626125_100000210211 [0,1,0,1,0,0|1,0,1]=4 19265 B12R1.333 CCCCN1CC(C1)OCCC 34a_200020626125_100000210210 [0,1,0,1,0,0|1,0,1]=4 19266 B12R1.382 CCCOC1CCCC(C1)CC 7a_100011985506_100000210303 [0,1,0,1,0,0|1,0,1]=4 19267 B12R1.382 CCCOC1CCCC(C1)CN 34a_100011254705_100000210303 [0,1,0,1,0,0|1,0,1]=4 19268 B12R1.382 CCCOC1CCCN(C1)CC 2230a_100000743837_100000210202 [0,1,0,1,0,0|1,0,1]=4 19269 B12R1.382 CCCOC1CCCN(C1)CC 269982a_100000743837_100000204670 [0,1,0,1,0,0|1,0,1]=4 19270 B12R1.382 CCCOC1CCCN(C1)CC 34a_100000743837_100000210202 [0,1,0,1,0,0|1,0,1]=4 19271 B12R1.464 C=C(CNCC1CC1)OCOC 34a_100000735609_100000042856 [0,1,0,1,0,0|2,0,0]=4 19272 B12R1.464 C=C(COCC1CC1)OCOC 34a_100000211283_100000042856 [0,1,0,1,0,0|2,0,0]=4 19273 B12R1.464 C=C(CSCC1CC1)OCOC 62a_100000042856_100000742324 [0,1,0,1,0,0|2,0,0]=4 19274 B12R1.464 C=C(CSCC1CC1)OCOC 62a_100000756562_100000042856 [0,1,0,1,0,0|2,0,0]=4 19275 B12R1.464 C=CCOC(=O)CNCC1CC1 2230a_100000735609_100000033060 [0,1,0,1,0,0|0,0,2]=4 19276 B12R1.464 C=CCOC(=O)CNCC1CC1 34a_100000735609_100000033060 [0,1,0,1,0,0|0,0,2]=4 19277 B12R1.464 C=CCOC(=O)COCC1CC1 34a_100000211283_100000033060 [0,1,0,1,0,0|0,0,2]=4 19278 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000033060_100000742324 [0,1,0,1,0,0|0,0,2]=4 19279 B12R1.464 C=CCOC(=O)CSCC1CC1 62a_100000756562_100000033060 [0,1,0,1,0,0|0,0,2]=4 19280 B12R1.464 CCC#CC(=O)CCCC1CO1 1458a_100011827653_100000733510 [0,1,0,1,0,0|1,0,1]=4 19281 B12R1.464 CCC=CC(=O)CCCC1CO1 1458a_100000212282_100000733510 [0,1,0,1,0,0|1,0,1]=4 19282 B12R1.464 CCC=CC(=O)NCCC1CC1 1626a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 19283 B12R1.464 CCC=CC(=O)NCCC1CC1 240690a_100000764129_100000212282 [0,1,0,1,0,0|1,0,1]=4 19284 B12R1.464 CCCCC(=O)CC#CC1CC1 1458a_100000210183_100009895102 [0,1,0,1,0,0|1,0,1]=4 19285 B12R1.464 CCCCC(=O)CCCC1CO1 1458a_100000210183_100000733510 [0,1,0,1,0,0|1,0,0]=3 19286 B12R1.464 CCCCC(=O)CSCC1CC1 1458a_200011316215_100000210211 [0,1,0,1,0,0|1,0,0]=3 19287 B12R1.464 CCCCC(=O)NCCC1CC1 1626a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 19288 B12R1.464 CCCCC(=O)NCCC1CC1 240690a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 19289 B12R1.464 CCCCC(=O)NCCC1CC1 527a_100000764129_100000210183 [0,1,0,1,0,0|1,0,0]=3 19290 B12R1.464 CCCCC(=O)NNCC1CC1 22a_100000736359_100000210183 [0,1,0,1,0,0|2,0,0]=4 19291 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000174927_100000742324 [0,1,0,1,0,0|1,0,0]=3 19292 B12R1.464 CCCNC(=O)CNCC1CC1 2230a_100000735609_100000183358 [0,1,0,1,0,0|1,0,0]=3 19293 B12R1.464 CCCNC(=O)CNCC1CC1 269862a_100000174927_100000741477 [0,1,0,1,0,0|1,0,0]=3 19294 B12R1.464 CCCNC(=O)CNCC1CC1 34a_100000735609_100000183358 [0,1,0,1,0,0|1,0,0]=3 19295 B12R1.464 CCCNC(=O)CNCC1CO1 2230a_100000174927_100011216344 [0,1,0,1,0,0|2,0,0]=4 19296 B12R1.464 CCCNC(=O)COCC1CC1 34a_100000211283_100000183358 [0,1,0,1,0,0|1,0,0]=3 19297 B12R1.464 CCCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183358 [0,1,0,1,0,0|2,0,0]=4 19298 B12R1.464 CCCNC(=O)CSCC1CC1 11a_100020643023_200011316215 [0,1,0,1,0,0|1,0,0]=3 19299 B12R1.464 CCCNC(=O)CSCC1CC1 1626a_100020643023_200011316215 [0,1,0,1,0,0|1,0,0]=3 19300 B12R1.464 CCCNC(=O)CSCC1CC1 240690a_100020643023_200011316215 [0,1,0,1,0,0|1,0,0]=3 19301 B12R1.464 CCCNC(=O)CSCC1CC1 527a_100020643023_200011316215 [0,1,0,1,0,0|1,0,0]=3 19302 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000183358_100000742324 [0,1,0,1,0,0|1,0,0]=3 19303 B12R1.464 CCCNC(=O)CSCC1CC1 62a_100000756562_100000183358 [0,1,0,1,0,0|1,0,0]=3 19304 B12R1.464 CCCNC(=O)CSCC1CO1 62a_100000183358_102125554688 [0,1,0,1,0,0|2,0,0]=4 19305 B12R1.464 CCCNC(=O)CSCC1CO1 62a_102125554688_100000183358 [0,1,0,1,0,0|2,0,0]=4 19306 B12R1.464 CCCNC(=O)CSCC1CS1 62a_100000031435_100000183358 [0,1,0,1,0,0|2,0,0]=4 19307 B12R1.464 CCCNC(=O)CSCC1CS1 62a_100000183358_100000031435 [0,1,0,1,0,0|2,0,0]=4 19308 B12R1.464 CCCNC(=O)CSC[C@@H]1CO1 62a_100000183358_100000745022 [0,1,0,1,0,0|2,0,0]=4 19309 B12R1.464 CCCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183358 [0,1,0,1,0,0|2,0,0]=4 19310 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 19311 B12R1.464 CCCNC(=O)NCCC1CC1 2708a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 19312 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 19313 B12R1.464 CCCNC(=O)NCCC1CC1 273464a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 19314 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100000764129_100020643023 [0,1,0,1,0,0|1,0,0]=3 19315 B12R1.464 CCCNC(=O)NCCC1CC1 512a_100020643023_100000764129 [0,1,0,1,0,0|1,0,0]=3 19316 B12R1.464 CCCNC(=O)NNCC1CC1 273464a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 19317 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100000736359_100020643023 [0,1,0,1,0,0|2,0,0]=4 19318 B12R1.464 CCCNC(=O)NNCC1CC1 512a_100020643023_100000736359 [0,1,0,1,0,0|2,0,0]=4 19319 B12R1.464 CCCOC(=O)CNCC1CC1 2230a_100000735609_200011215008 [0,1,0,1,0,0|0,0,0]=2 19320 B12R1.464 CCCOC(=O)CNCC1CC1 34a_100000735609_200011215008 [0,1,0,1,0,0|0,0,0]=2 19321 B12R1.464 CCCOC(=O)COCC1CC1 34a_100000211283_200011215008 [0,1,0,1,0,0|0,0,0]=2 19322 B12R1.464 CCCOC(=O)COC[C@@H]1CO1 34a_100000757423_200011215008 [0,1,0,1,0,0|1,0,0]=3 19323 B12R1.464 CCCOC(=O)CSCC1CC1 62a_100000756562_200011215008 [0,1,0,1,0,0|0,0,0]=2 19324 B12R1.464 CCCOC(=O)CSCC1CC1 62a_200011215008_100000742324 [0,1,0,1,0,0|0,0,0]=2 19325 B12R1.464 CCCOC(=O)CSCC1CO1 62a_102125554688_200011215008 [0,1,0,1,0,0|1,0,0]=3 19326 B12R1.464 CCCOC(=O)CSCC1CO1 62a_200011215008_102125554688 [0,1,0,1,0,0|1,0,0]=3 19327 B12R1.464 CCCOC(=O)CSCC1CS1 62a_100000031435_200011215008 [0,1,0,1,0,0|1,0,0]=3 19328 B12R1.464 CCCOC(=O)CSCC1CS1 62a_200011215008_100000031435 [0,1,0,1,0,0|1,0,0]=3 19329 B12R1.464 CCCOC(=O)CSC[C@@H]1CO1 62a_100000745022_200011215008 [0,1,0,1,0,0|1,0,0]=3 19330 B12R1.464 CCCOC(=O)CSC[C@@H]1CO1 62a_200011215008_100000745022 [0,1,0,1,0,0|1,0,0]=3 19331 B12R1.464 CCCOC(=O)OCNC1CC1 34a_100000212008_200000139673 [0,1,0,1,0,0|1,0,0]=3 19332 B12R1.464 CCCOC(C)CNCC1CC1 2230a_100015185124_100000742324 [0,1,0,1,0,0|1,0,1]=4 19333 B12R1.464 CCCOC(C)CNCC1CC1 269862a_100015185124_100000741477 [0,1,0,1,0,0|1,0,1]=4 19334 B12R1.464 CCCOC(C)CNCC1CC1 34a_100015185124_100000742324 [0,1,0,1,0,0|1,0,1]=4 19335 B12R1.464 CCNNC(=O)CSCC1CC1 22a_100000756455_200011316215 [0,1,0,1,0,0|2,0,0]=4 19336 B12R1.464 CCNNC(=O)NCCC1CC1 273464a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 19337 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000756455_100000764129 [0,1,0,1,0,0|2,0,0]=4 19338 B12R1.464 CCNNC(=O)NCCC1CC1 512a_100000764129_100000756455 [0,1,0,1,0,0|2,0,0]=4 19339 B12R1.464 CCOCC(=O)CCCC1CO1 1458a_100000211967_100000733510 [0,1,0,1,0,0|2,0,0]=4 19340 B12R1.464 CCOCC(=O)NCCC1CC1 1626a_100000764129_100000211967 [0,1,0,1,0,0|2,0,0]=4 19341 B12R1.464 CCOCC(=O)NCCC1CC1 240690a_100000764129_100000211967 [0,1,0,1,0,0|2,0,0]=4 19342 B12R1.464 CCOCC(=O)NCCC1CC1 527a_100000764129_100000211967 [0,1,0,1,0,0|2,0,0]=4 19343 B12R1.464 CCSCC(=O)CCCC1CO1 1458a_100000230394_100000733510 [0,1,0,1,0,0|2,0,0]=4 19344 B12R1.464 CCSCC(=O)NCCC1CC1 1626a_100000764129_100000230394 [0,1,0,1,0,0|2,0,0]=4 19345 B12R1.464 CCSCC(=O)NCCC1CC1 240690a_100000764129_100000230394 [0,1,0,1,0,0|2,0,0]=4 19346 B12R1.464 CCSCC(=O)NCCC1CC1 527a_100000764129_100000230394 [0,1,0,1,0,0|2,0,0]=4 19347 B12R1.464 COCCC(=O)CCCC1CO1 1458a_100000749529_100000733510 [0,1,0,1,0,0|2,0,0]=4 19348 B12R1.464 COCCC(=O)CSCC1CC1 1458a_200011316215_100000233755 [0,1,0,1,0,0|2,0,0]=4 19349 B12R1.464 COCCC(=O)NCCC1CC1 1626a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19350 B12R1.464 COCCC(=O)NCCC1CC1 240690a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19351 B12R1.464 COCCC(=O)NCCC1CC1 527a_100000764129_100000749529 [0,1,0,1,0,0|2,0,0]=4 19352 B12R1.464 CSCCC(=O)CCCC1CO1 1458a_100000174002_100000733510 [0,1,0,1,0,0|2,0,0]=4 19353 B12R1.464 CSCCC(=O)CSCC1CC1 1458a_200011316215_100000751147 [0,1,0,1,0,0|2,0,0]=4 19354 B12R1.464 CSCCC(=O)NCCC1CC1 1626a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19355 B12R1.464 CSCCC(=O)NCCC1CC1 240690a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19356 B12R1.464 CSCCC(=O)NCCC1CC1 527a_100000764129_100000174002 [0,1,0,1,0,0|2,0,0]=4 19357 B12R1.464 O=C(CCCF)CSCC1CC1 1458a_200011316215_100011934791 [0,1,0,1,0,0|2,0,0]=4 19358 B12R1.464 O=C(CCCO)CSCC1CC1 1458a_200011316215_100011215043 [0,1,0,1,0,0|2,0,0]=4 19359 B12R1.464 O=C(CNCC1CC1)NCCF 2230a_100000725713_100000742324 [0,1,0,1,0,0|2,0,0]=4 19360 B12R1.464 O=C(CSCC1CC1)NCCF 11a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19361 B12R1.464 O=C(CSCC1CC1)NCCF 1626a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19362 B12R1.464 O=C(CSCC1CC1)NCCF 240690a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19363 B12R1.464 O=C(CSCC1CC1)NCCF 527a_100000724931_200011316215 [0,1,0,1,0,0|2,0,0]=4 19364 B12R1.464 O=C(CSCC1CC1)NCCO 240690a_100000210304_200011316215 [0,1,0,1,0,0|2,0,0]=4 19365 B12R1.464 O=C(CSCC1CC1)NCCO 527a_100000210304_200011316215 [0,1,0,1,0,0|2,0,0]=4 19366 B12R1.464 O=C(NCCF)NCCC1CC1 2708a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19367 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000724931_100000764129 [0,1,0,1,0,0|2,0,0]=4 19368 B12R1.464 O=C(NCCF)NCCC1CC1 273464a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19369 B12R1.464 O=C(NCCF)NCCC1CC1 512a_100000764129_100000724931 [0,1,0,1,0,0|2,0,0]=4 19370 B12R1.464 O=C(NCCO)NCCC1CC1 2708a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19371 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000210304_100000764129 [0,1,0,1,0,0|2,0,0]=4 19372 B12R1.464 O=C(NCCO)NCCC1CC1 273464a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19373 B12R1.464 O=C(NCCO)NCCC1CC1 512a_100000764129_100000210304 [0,1,0,1,0,0|2,0,0]=4 19374 B12R1.561 C#CCCCCC(=O)C1CCC1 1458a_100000209988_100010269958 [0,1,0,1,0,0|1,0,1]=4 19375 B12R1.561 C#CCCCCC(=O)C1CCC1 1458a_100000696528_100000749161 [0,1,0,1,0,0|1,0,1]=4 19376 B12R1.561 C#CCCCCC(=O)N1CCC1 11a_100000754969_100000696528 [0,1,0,1,0,0|1,0,1]=4 19377 B12R1.561 C#CCCCCC(=O)N1CCC1 240690a_100000754969_100000696528 [0,1,0,1,0,0|1,0,1]=4 19378 B12R1.561 C#CCCCCC(=O)N1CCC1 527a_100000754969_100000696528 [0,1,0,1,0,0|1,0,1]=4 19379 B12R1.561 C=CCCCCC(=O)C1CCC1 1458a_100000209988_100011215482 [0,1,0,1,0,0|1,0,1]=4 19380 B12R1.561 C=CCCCCC(=O)C1CCC1 1458a_100011215552_100000749161 [0,1,0,1,0,0|1,0,1]=4 19381 B12R1.561 C=CCCCCC(=O)N1CCC1 11a_100000754969_100011215552 [0,1,0,1,0,0|1,0,1]=4 19382 B12R1.561 C=CCCCCC(=O)N1CCC1 240690a_100000754969_100011215552 [0,1,0,1,0,0|1,0,1]=4 19383 B12R1.561 C=CCCCCC(=O)N1CCC1 527a_100000754969_100011215552 [0,1,0,1,0,0|1,0,1]=4 19384 B12R1.561 CC/C=C\CCC(=O)C1CCC1 1458a_100000209988_100015370543 [0,1,0,1,0,0|1,0,1]=4 19385 B12R1.561 CCC/C=C/CC(=O)C1CCC1 1458a_200016266809_100000749161 [0,1,0,1,0,0|1,0,1]=4 19386 B12R1.561 CCC/C=C/CC(=O)N1CCC1 11a_100000754969_200016266809 [0,1,0,1,0,0|1,0,1]=4 19387 B12R1.561 CCC/C=C/CC(=O)N1CCC1 240690a_100000754969_200016266809 [0,1,0,1,0,0|1,0,1]=4 19388 B12R1.561 CCC/C=C/CC(=O)N1CCC1 527a_100000754969_200016266809 [0,1,0,1,0,0|1,0,1]=4 19389 B12R1.561 CCCCC=CC(=O)C1CCC1 1458a_100016266645_100000749161 [0,1,0,1,0,0|1,0,1]=4 19390 B12R1.561 CCCCC=CC(=O)N1CCC1 11a_100000754969_100016266645 [0,1,0,1,0,0|1,0,1]=4 19391 B12R1.561 CCCCC=CC(=O)N1CCC1 240690a_100000754969_100016266645 [0,1,0,1,0,0|1,0,1]=4 19392 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100000209988_100000210757 [0,1,0,1,0,0|1,0,0]=3 19393 B12R1.561 CCCCCCC(=O)C1CCC1 1458a_100102632555_100000749161 [0,1,0,1,0,0|1,0,0]=3 19394 B12R1.561 CCCCCCC(=O)C1CCO1 1458a_100000089072_100000210757 [0,1,0,1,0,0|2,0,0]=4 19395 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100000758290_100000210757 [0,1,0,1,0,0|2,0,0]=4 19396 B12R1.561 CCCCCCC(=O)C1COC1 1458a_100102632555_100000687716 [0,1,0,1,0,0|2,0,0]=4 19397 B12R1.561 CCCCCCC(=O)N1CCC1 11a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19398 B12R1.561 CCCCCCC(=O)N1CCC1 240690a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19399 B12R1.561 CCCCCCC(=O)N1CCC1 527a_100000754969_100102632555 [0,1,0,1,0,0|1,0,0]=3 19400 B12R1.561 CCCCCNC(=O)C1CCC1 11a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 19401 B12R1.561 CCCCCNC(=O)C1CCC1 1626a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 19402 B12R1.561 CCCCCNC(=O)C1CCC1 240690a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 19403 B12R1.561 CCCCCNC(=O)C1CCC1 527a_100000209983_100000209988 [0,1,0,1,0,0|1,0,0]=3 19404 B12R1.561 CCCCCNC(=O)C1CCO1 11a_100000209983_100000089072 [0,1,0,1,0,0|2,0,0]=4 19405 B12R1.561 CCCCCNC(=O)C1CCO1 1626a_100000209983_100000089072 [0,1,0,1,0,0|2,0,0]=4 19406 B12R1.561 CCCCCNC(=O)C1CCO1 240690a_100000209983_100000089072 [0,1,0,1,0,0|2,0,0]=4 19407 B12R1.561 CCCCCNC(=O)C1CCO1 527a_100000209983_100000089072 [0,1,0,1,0,0|2,0,0]=4 19408 B12R1.561 CCCCCNC(=O)C1COC1 11a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19409 B12R1.561 CCCCCNC(=O)C1COC1 1626a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19410 B12R1.561 CCCCCNC(=O)C1COC1 240690a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19411 B12R1.561 CCCCCNC(=O)C1COC1 527a_100000209983_100000758290 [0,1,0,1,0,0|2,0,0]=4 19412 B12R1.561 CCCCCNC(=O)N1CCC1 2708a_100000209983_100000754969 [0,1,0,1,0,0|1,0,0]=3 19413 B12R1.561 CCCCCNC(=O)N1CCC1 273464a_100000209983_100000754969 [0,1,0,1,0,0|1,0,0]=3 19414 B12R1.561 CCCCNCC(=O)C1CCC1 2230a_100000102301_100000686122 [0,1,0,1,0,0|1,0,0]=3 19415 B12R1.561 CCCCNCC(=O)C1CCC1 7a_106832991798_100000686122 [0,1,0,1,0,0|1,0,0]=3 19416 B12R1.561 CCCCNCC(=O)N1CCC1 2230a_100000102301_100000185095 [0,1,0,1,0,0|1,0,0]=3 19417 B12R1.561 CCCCNCC(=O)N1CCC1 7a_106832991798_100000185095 [0,1,0,1,0,0|1,0,0]=3 19418 B12R1.561 CCCCNNC(=O)C1CCC1 22a_100025702795_100000209988 [0,1,0,1,0,0|2,0,0]=4 19419 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000209988_100011995733 [0,1,0,1,0,0|1,0,0]=3 19420 B12R1.561 CCCCOCC(=O)C1CCC1 1458a_100000757543_100000749161 [0,1,0,1,0,0|1,0,0]=3 19421 B12R1.561 CCCCOCC(=O)C1CCC1 34a_100000210227_100000686122 [0,1,0,1,0,0|1,0,0]=3 19422 B12R1.561 CCCCOCC(=O)C1CCC1 7a_100000210227_100000686122 [0,1,0,1,0,0|1,0,0]=3 19423 B12R1.561 CCCCOCC(=O)C1CCO1 1458a_100000089072_100011995733 [0,1,0,1,0,0|2,0,0]=4 19424 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000757543_100000687716 [0,1,0,1,0,0|2,0,0]=4 19425 B12R1.561 CCCCOCC(=O)C1COC1 1458a_100000758290_100011995733 [0,1,0,1,0,0|2,0,0]=4 19426 B12R1.561 CCCCOCC(=O)N1CCC1 11a_100000754969_100000757543 [0,1,0,1,0,0|1,0,0]=3 19427 B12R1.561 CCCCOCC(=O)N1CCC1 240690a_100000754969_100000757543 [0,1,0,1,0,0|1,0,0]=3 19428 B12R1.561 CCCCOCC(=O)N1CCC1 34a_100000210227_100000185095 [0,1,0,1,0,0|1,0,0]=3 19429 B12R1.561 CCCCOCC(=O)N1CCC1 527a_100000754969_100000757543 [0,1,0,1,0,0|1,0,0]=3 19430 B12R1.561 CCCCOCC(=O)N1CCC1 7a_100000210227_100000185095 [0,1,0,1,0,0|1,0,0]=3 19431 B12R1.561 CCCCSCC(=O)C1CCC1 1458a_100000191162_100000749161 [0,1,0,1,0,0|1,0,0]=3 19432 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000210211_100000686122 [0,1,0,1,0,0|1,0,0]=3 19433 B12R1.561 CCCCSCC(=O)C1CCC1 62a_100000686122_100000210210 [0,1,0,1,0,0|1,0,0]=3 19434 B12R1.561 CCCCSCC(=O)C1COC1 1458a_100000191162_100000687716 [0,1,0,1,0,0|2,0,0]=4 19435 B12R1.561 CCCCSCC(=O)N1CCC1 11a_100000754969_100000191162 [0,1,0,1,0,0|1,0,0]=3 19436 B12R1.561 CCCCSCC(=O)N1CCC1 240690a_100000754969_100000191162 [0,1,0,1,0,0|1,0,0]=3 19437 B12R1.561 CCCCSCC(=O)N1CCC1 527a_100000754969_100000191162 [0,1,0,1,0,0|1,0,0]=3 19438 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000185095_100000210210 [0,1,0,1,0,0|1,0,0]=3 19439 B12R1.561 CCCCSCC(=O)N1CCC1 62a_100000210211_100000185095 [0,1,0,1,0,0|1,0,0]=3 19440 B12R1.561 CCCOCCC(=O)C1CCC1 1458a_100000209988_100011215938 [0,1,0,1,0,0|1,0,0]=3 19441 B12R1.561 CCCOCCC(=O)C1CCO1 1458a_100000089072_100011215938 [0,1,0,1,0,0|2,0,0]=4 19442 B12R1.561 CCCOCCC(=O)C1COC1 1458a_100000758290_100011215938 [0,1,0,1,0,0|2,0,0]=4 19443 B12R1.561 CCNCCNC(=O)C1CCC1 2230a_100000723847_100000210202 [0,1,0,1,0,0|2,0,0]=4 19444 B12R1.561 CCNCCNC(=O)C1CCC1 34a_100000723847_100000210202 [0,1,0,1,0,0|2,0,0]=4 19445 B12R1.561 CCOCCCC(=O)C1CCC1 1458a_100000209988_100012232248 [0,1,0,1,0,0|1,0,0]=3 19446 B12R1.561 CCOCCCC(=O)C1CCO1 1458a_100000089072_100012232248 [0,1,0,1,0,0|2,0,0]=4 19447 B12R1.561 CCOCCCC(=O)C1COC1 1458a_100000758290_100012232248 [0,1,0,1,0,0|2,0,0]=4 19448 B12R1.561 CCOCCNC(=O)C1CCC1 11a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 19449 B12R1.561 CCOCCNC(=O)C1CCC1 1626a_102516460346_100000209988 [0,1,0,1,0,0|2,0,0]=4 19450 B12R1.561 CCOCCNC(=O)C1CCC1 240690a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 19451 B12R1.561 CCOCCNC(=O)C1CCC1 527a_100011200944_100000209988 [0,1,0,1,0,0|2,0,0]=4 19452 B12R1.561 CCOCCNC(=O)N1CCC1 2708a_100011200944_100000754969 [0,1,0,1,0,0|2,0,0]=4 19453 B12R1.561 CCOCCNC(=O)N1CCC1 273464a_102516460346_100000754969 [0,1,0,1,0,0|2,0,0]=4 19454 B12R1.561 CCOCSCC(=O)C1CCC1 62a_100000686122_100000739092 [0,1,0,1,0,0|2,0,0]=4 19455 B12R1.561 CCOCSCC(=O)C1CCC1 62a_100000739092_100000686122 [0,1,0,1,0,0|2,0,0]=4 19456 B12R1.561 CCOCSCC(=O)N1CCC1 62a_100000185095_100000739092 [0,1,0,1,0,0|2,0,0]=4 19457 B12R1.561 CCOCSCC(=O)N1CCC1 62a_100000739092_100000185095 [0,1,0,1,0,0|2,0,0]=4 19458 B12R1.561 CCSCCNC(=O)C1CCC1 11a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 19459 B12R1.561 CCSCCNC(=O)C1CCC1 1626a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 19460 B12R1.561 CCSCCNC(=O)C1CCC1 240690a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 19461 B12R1.561 CCSCCNC(=O)C1CCC1 527a_100000106463_100000209988 [0,1,0,1,0,0|2,0,0]=4 19462 B12R1.561 CCSCCNC(=O)N1CCC1 2708a_100000106463_100000754969 [0,1,0,1,0,0|2,0,0]=4 19463 B12R1.561 CCSCCNC(=O)N1CCC1 273464a_100000106463_100000754969 [0,1,0,1,0,0|2,0,0]=4 19464 B12R1.561 COCCCCC(=O)C1CCC1 1458a_100000209988_100000755781 [0,1,0,1,0,0|1,0,0]=3 19465 B12R1.561 COCCCCC(=O)C1CCO1 1458a_100000089072_100000755781 [0,1,0,1,0,0|2,0,0]=4 19466 B12R1.561 COCCCCC(=O)C1COC1 1458a_100000758290_100000755781 [0,1,0,1,0,0|2,0,0]=4 19467 B12R1.561 COCCCNC(=O)C1CCC1 1626a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 19468 B12R1.561 COCCCNC(=O)C1CCC1 240690a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 19469 B12R1.561 COCCCNC(=O)C1CCC1 527a_100150723488_100000209988 [0,1,0,1,0,0|2,0,0]=4 19470 B12R1.561 COCCCNC(=O)N1CCC1 2708a_100150723488_100000754969 [0,1,0,1,0,0|2,0,0]=4 19471 B12R1.561 COCCCNC(=O)N1CCC1 273464a_100150723488_100000754969 [0,1,0,1,0,0|2,0,0]=4 19472 B12R1.561 COCCNCC(=O)C1CCC1 2230a_100000209980_100000686122 [0,1,0,1,0,0|2,0,0]=4 19473 B12R1.561 COCCNCC(=O)N1CCC1 2230a_100000209980_100000185095 [0,1,0,1,0,0|2,0,0]=4 19474 B12R1.561 COCCOCC(=O)C1CCC1 1458a_100000211095_100000749161 [0,1,0,1,0,0|2,0,0]=4 19475 B12R1.561 COCCOCC(=O)C1CCC1 34a_100000210237_100000686122 [0,1,0,1,0,0|2,0,0]=4 19476 B12R1.561 COCCOCC(=O)N1CCC1 11a_100000754969_100000211095 [0,1,0,1,0,0|2,0,0]=4 19477 B12R1.561 COCCOCC(=O)N1CCC1 240690a_100000754969_100000211095 [0,1,0,1,0,0|2,0,0]=4 19478 B12R1.561 COCCOCC(=O)N1CCC1 34a_100000210237_100000185095 [0,1,0,1,0,0|2,0,0]=4 19479 B12R1.561 COCCOCC(=O)N1CCC1 527a_100000754969_100000211095 [0,1,0,1,0,0|2,0,0]=4 19480 B12R1.561 COCCSCC(=O)C1CCC1 62a_100000233755_100000686122 [0,1,0,1,0,0|2,0,0]=4 19481 B12R1.561 COCCSCC(=O)C1CCC1 62a_100000686122_100000233755 [0,1,0,1,0,0|2,0,0]=4 19482 B12R1.561 COCCSCC(=O)N1CCC1 62a_100000185095_100000233755 [0,1,0,1,0,0|2,0,0]=4 19483 B12R1.561 COCCSCC(=O)N1CCC1 62a_100000233755_100000185095 [0,1,0,1,0,0|2,0,0]=4 19484 B12R1.561 CSCCCNC(=O)C1CCC1 11a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 19485 B12R1.561 CSCCCNC(=O)C1CCC1 1626a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 19486 B12R1.561 CSCCCNC(=O)C1CCC1 240690a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 19487 B12R1.561 CSCCCNC(=O)C1CCC1 527a_100000749238_100000209988 [0,1,0,1,0,0|2,0,0]=4 19488 B12R1.561 CSCCCNC(=O)N1CCC1 2708a_100000749238_100000754969 [0,1,0,1,0,0|2,0,0]=4 19489 B12R1.561 CSCCCNC(=O)N1CCC1 273464a_100000749238_100000754969 [0,1,0,1,0,0|2,0,0]=4 19490 B12R1.561 CSCCNCC(=O)C1CCC1 2230a_100020590264_100000686122 [0,1,0,1,0,0|2,0,0]=4 19491 B12R1.561 CSCCNCC(=O)N1CCC1 2230a_100020590264_100000185095 [0,1,0,1,0,0|2,0,0]=4 19492 B12R1.561 CSCCOCC(=O)C1CCC1 34a_100000230434_100000686122 [0,1,0,1,0,0|2,0,0]=4 19493 B12R1.561 CSCCOCC(=O)C1CCC1 7a_100000230434_100000686122 [0,1,0,1,0,0|2,0,0]=4 19494 B12R1.561 CSCCOCC(=O)N1CCC1 34a_100000230434_100000185095 [0,1,0,1,0,0|2,0,0]=4 19495 B12R1.561 CSCCOCC(=O)N1CCC1 7a_100000230434_100000185095 [0,1,0,1,0,0|2,0,0]=4 19496 B12R1.561 CSCCSCC(=O)C1CCC1 62a_100000212216_100000686122 [0,1,0,1,0,0|2,0,0]=4 19497 B12R1.561 CSCCSCC(=O)C1CCC1 62a_100000686122_100000751147 [0,1,0,1,0,0|2,0,0]=4 19498 B12R1.561 CSCCSCC(=O)N1CCC1 62a_100000185095_100000751147 [0,1,0,1,0,0|2,0,0]=4 19499 B12R1.561 CSCCSCC(=O)N1CCC1 62a_100000212216_100000185095 [0,1,0,1,0,0|2,0,0]=4 19500 B12R1.561 N#CCCCCC(=O)C1CCC1 1458a_100000209988_100000211819 [0,1,0,1,0,0|1,0,1]=4 19501 B12R1.561 NCCCOCC(=O)C1CCC1 34a_100000182051_100000686122 [0,1,0,1,0,0|2,0,0]=4 19502 B12R1.561 NCCCOCC(=O)N1CCC1 34a_100000182051_100000185095 [0,1,0,1,0,0|2,0,0]=4 19503 B12R1.561 O=C(CCCCCF)C1CCC1 1458a_100000209988_100000729378 [0,1,0,1,0,0|1,0,0]=3 19504 B12R1.561 O=C(CCCCCF)C1CCO1 1458a_100000089072_100000729378 [0,1,0,1,0,0|2,0,0]=4 19505 B12R1.561 O=C(CCCCCF)C1COC1 1458a_100000758290_100000729378 [0,1,0,1,0,0|2,0,0]=4 19506 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100000209988_100000746330 [0,1,0,1,0,0|1,0,0]=3 19507 B12R1.561 O=C(CCCCCO)C1CCC1 1458a_100102619762_100000749161 [0,1,0,1,0,0|1,0,0]=3 19508 B12R1.561 O=C(CCCCCO)C1CCO1 1458a_100000089072_100000746330 [0,1,0,1,0,0|2,0,0]=4 19509 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100000758290_100000746330 [0,1,0,1,0,0|2,0,0]=4 19510 B12R1.561 O=C(CCCCCO)C1COC1 1458a_100102619762_100000687716 [0,1,0,1,0,0|2,0,0]=4 19511 B12R1.561 O=C(CCCCCO)N1CCC1 240690a_100000754969_100102619762 [0,1,0,1,0,0|1,0,0]=3 19512 B12R1.561 O=C(CCOCCO)C1CCC1 1458a_100000209988_100011215305 [0,1,0,1,0,0|2,0,0]=4 19513 B12R1.561 O=C(CCOCCO)C1CCC1 1458a_100011229844_100000749161 [0,1,0,1,0,0|2,0,0]=4 19514 B12R1.561 O=C(CCOCCO)N1CCC1 240690a_100000754969_100011229844 [0,1,0,1,0,0|2,0,0]=4 19515 B12R1.561 O=C(CNCCCF)C1CCC1 2230a_100015189416_100000686122 [0,1,0,1,0,0|2,0,0]=4 19516 B12R1.561 O=C(CNCCCF)C1CCC1 34a_100015189416_100000686122 [0,1,0,1,0,0|2,0,0]=4 19517 B12R1.561 O=C(CNCCCF)N1CCC1 2230a_100015189416_100000185095 [0,1,0,1,0,0|2,0,0]=4 19518 B12R1.561 O=C(CNCCCF)N1CCC1 34a_100015189416_100000185095 [0,1,0,1,0,0|2,0,0]=4 19519 B12R1.561 O=C(COCCCBr)C1CCC1 34a_100011217188_100000686122 [0,1,0,1,0,0|2,0,0]=4 19520 B12R1.561 O=C(COCCCBr)N1CCC1 34a_100011217188_100000185095 [0,1,0,1,0,0|2,0,0]=4 19521 B12R1.561 O=C(COCCCCl)C1CCC1 34a_100000230001_100000686122 [0,1,0,1,0,0|2,0,0]=4 19522 B12R1.561 O=C(COCCCCl)N1CCC1 34a_100000230001_100000185095 [0,1,0,1,0,0|2,0,0]=4 19523 B12R1.561 O=C(COCCCF)C1CCC1 34a_100000759539_100000686122 [0,1,0,1,0,0|2,0,0]=4 19524 B12R1.561 O=C(COCCCF)N1CCC1 34a_100000759539_100000185095 [0,1,0,1,0,0|2,0,0]=4 19525 B12R1.561 O=C(CSCCCF)C1CCC1 62a_100000686122_100011934791 [0,1,0,1,0,0|2,0,0]=4 19526 B12R1.561 O=C(CSCCCF)C1CCC1 62a_100011934791_100000686122 [0,1,0,1,0,0|2,0,0]=4 19527 B12R1.561 O=C(CSCCCF)N1CCC1 62a_100000185095_100011934791 [0,1,0,1,0,0|2,0,0]=4 19528 B12R1.561 O=C(CSCCCF)N1CCC1 62a_100011934791_100000185095 [0,1,0,1,0,0|2,0,0]=4 19529 B12R1.561 O=C(CSCCCO)C1CCC1 62a_100000686122_100011215043 [0,1,0,1,0,0|2,0,0]=4 19530 B12R1.561 O=C(CSCCCO)C1CCC1 62a_100011215043_100000686122 [0,1,0,1,0,0|2,0,0]=4 19531 B12R1.561 O=C(CSCCCO)N1CCC1 62a_100000185095_100011215043 [0,1,0,1,0,0|2,0,0]=4 19532 B12R1.561 O=C(CSCCCO)N1CCC1 62a_100011215043_100000185095 [0,1,0,1,0,0|2,0,0]=4 19533 B12R1.561 O=C(NCCCCO)C1CCC1 240690a_100000750430_100000209988 [0,1,0,1,0,0|2,0,0]=4 19534 B12R1.561 O=C(NCCCCO)C1CCC1 527a_100000750430_100000209988 [0,1,0,1,0,0|2,0,0]=4 19535 B12R1.561 O=C(NCCCCO)N1CCC1 2708a_100000750430_100000754969 [0,1,0,1,0,0|2,0,0]=4 19536 B12R1.561 O=C(NCCCCO)N1CCC1 273464a_100000750430_100000754969 [0,1,0,1,0,0|2,0,0]=4 19537 B12R1.563 C#CCCCCC(=O)CC1CC1 1458a_100000696528_100000742324 [0,1,0,1,0,0|1,0,1]=4 19538 B12R1.563 C#CCCCCC(=O)CC1CC1 1458a_100000738066_100010269958 [0,1,0,1,0,0|1,0,1]=4 19539 B12R1.563 C#CCCCCC(=O)NC1CC1 1626a_100000212008_100000696528 [0,1,0,1,0,0|1,0,1]=4 19540 B12R1.563 C#CCCCCC(=O)NC1CC1 240690a_100000212008_100000696528 [0,1,0,1,0,0|1,0,1]=4 19541 B12R1.563 C#CCCCCC(=O)NC1CC1 527a_100000212008_100000696528 [0,1,0,1,0,0|1,0,1]=4 19542 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100000738066_100011215482 [0,1,0,1,0,0|1,0,1]=4 19543 B12R1.563 C=CCCCCC(=O)CC1CC1 1458a_100011215552_100000742324 [0,1,0,1,0,0|1,0,1]=4 19544 B12R1.563 C=CCCCCC(=O)NC1CC1 1626a_100000212008_100011215552 [0,1,0,1,0,0|1,0,1]=4 19545 B12R1.563 C=CCCCCC(=O)NC1CC1 240690a_100000212008_100011215552 [0,1,0,1,0,0|1,0,1]=4 19546 B12R1.563 C=CCCCCC(=O)NC1CC1 527a_100000212008_100011215552 [0,1,0,1,0,0|1,0,1]=4 19547 B12R1.563 CC/C=C\CCC(=O)CC1CC1 1458a_100000738066_100015370543 [0,1,0,1,0,0|1,0,1]=4 19548 B12R1.563 CCC/C=C/CC(=O)CC1CC1 1458a_200016266809_100000742324 [0,1,0,1,0,0|1,0,1]=4 19549 B12R1.563 CCC/C=C/CC(=O)NC1CC1 1626a_100000212008_200016266809 [0,1,0,1,0,0|1,0,1]=4 19550 B12R1.563 CCC/C=C/CC(=O)NC1CC1 240690a_100000212008_200016266809 [0,1,0,1,0,0|1,0,1]=4 19551 B12R1.563 CCC/C=C/CC(=O)NC1CC1 527a_100000212008_200016266809 [0,1,0,1,0,0|1,0,1]=4 19552 B12R1.563 CCCCC=CC(=O)CC1CC1 1458a_100016266645_100000742324 [0,1,0,1,0,0|1,0,1]=4 19553 B12R1.563 CCCCC=CC(=O)NC1CC1 1626a_100000212008_100016266645 [0,1,0,1,0,0|1,0,1]=4 19554 B12R1.563 CCCCC=CC(=O)NC1CC1 240690a_100000212008_100016266645 [0,1,0,1,0,0|1,0,1]=4 19555 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100000738066_100000210757 [0,1,0,1,0,0|1,0,0]=3 19556 B12R1.563 CCCCCCC(=O)CC1CC1 1458a_100102632555_100000742324 [0,1,0,1,0,0|1,0,0]=3 19557 B12R1.563 CCCCCCC(=O)CC1CO1 1458a_100102632555_100011216344 [0,1,0,1,0,0|2,0,0]=4 19558 B12R1.563 CCCCCCC(=O)CC1CS1 1458a_100102632555_100000031435 [0,1,0,1,0,0|2,0,0]=4 19559 B12R1.563 CCCCCCC(=O)C[C@@H]1CO1 1458a_100102632555_100000745022 [0,1,0,1,0,0|2,0,0]=4 19560 B12R1.563 CCCCCCC(=O)NC1CC1 1626a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 19561 B12R1.563 CCCCCCC(=O)NC1CC1 240690a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 19562 B12R1.563 CCCCCCC(=O)NC1CC1 527a_100000212008_100102632555 [0,1,0,1,0,0|1,0,0]=3 19563 B12R1.563 CCCCCCC(C)OC1CC1 34a_100000210265_100000211595 [0,1,0,1,0,0|1,0,1]=4 19564 B12R1.563 CCCCCNC(=O)CC1CC1 11a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 19565 B12R1.563 CCCCCNC(=O)CC1CC1 1626a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 19566 B12R1.563 CCCCCNC(=O)CC1CC1 240690a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 19567 B12R1.563 CCCCCNC(=O)CC1CC1 527a_100000209983_100000738066 [0,1,0,1,0,0|1,0,0]=3 19568 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000209983_100000212008 [0,1,0,1,0,0|1,0,0]=3 19569 B12R1.563 CCCCCNC(=O)NC1CC1 2708a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 19570 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000209983_100000212008 [0,1,0,1,0,0|1,0,0]=3 19571 B12R1.563 CCCCCNC(=O)NC1CC1 273464a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 19572 B12R1.563 CCCCCNC(=O)NC1CC1 512a_100000212008_100000209983 [0,1,0,1,0,0|1,0,0]=3 19573 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000102301_100000182950 [0,1,0,1,0,0|1,0,0]=3 19574 B12R1.563 CCCCNCC(=O)NC1CC1 2230a_100000702991_100000210211 [0,1,0,1,0,0|1,0,0]=3 19575 B12R1.563 CCCCNCC(=O)NC1CC1 7a_106832991798_100000182950 [0,1,0,1,0,0|1,0,0]=3 19576 B12R1.563 CCCCNNC(=O)CC1CC1 22a_100025702795_100000738066 [0,1,0,1,0,0|2,0,0]=4 19577 B12R1.563 CCCCNNC(=O)NC1CC1 273464a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 19578 B12R1.563 CCCCNNC(=O)NC1CC1 512a_100000212008_100025702795 [0,1,0,1,0,0|2,0,0]=4 19579 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000738066_100011995733 [0,1,0,1,0,0|1,0,0]=3 19580 B12R1.563 CCCCOCC(=O)CC1CC1 1458a_100000757543_100000742324 [0,1,0,1,0,0|1,0,0]=3 19581 B12R1.563 CCCCOCC(=O)CC1CO1 1458a_100000757543_100011216344 [0,1,0,1,0,0|2,0,0]=4 19582 B12R1.563 CCCCOCC(=O)CC1CS1 1458a_100000757543_100000031435 [0,1,0,1,0,0|2,0,0]=4 19583 B12R1.563 CCCCOCC(=O)C[C@@H]1CO1 1458a_100000757543_100000745022 [0,1,0,1,0,0|2,0,0]=4 19584 B12R1.563 CCCCOCC(=O)NC1CC1 1626a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 19585 B12R1.563 CCCCOCC(=O)NC1CC1 240690a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 19586 B12R1.563 CCCCOCC(=O)NC1CC1 34a_100000210227_100000182950 [0,1,0,1,0,0|1,0,0]=3 19587 B12R1.563 CCCCOCC(=O)NC1CC1 527a_100000212008_100000757543 [0,1,0,1,0,0|1,0,0]=3 19588 B12R1.563 CCCCOCC(=O)NC1CC1 7a_100000210227_100000182950 [0,1,0,1,0,0|1,0,0]=3 19589 B12R1.563 CCCCOCC(C)OC1CC1 34a_100011217071_100000211595 [0,1,0,1,0,0|1,0,1]=4 19590 B12R1.563 CCCCSCC(=O)CC1CC1 1458a_100000191162_100000742324 [0,1,0,1,0,0|1,0,0]=3 19591 B12R1.563 CCCCSCC(=O)CC1CO1 1458a_100000191162_100011216344 [0,1,0,1,0,0|2,0,0]=4 19592 B12R1.563 CCCCSCC(=O)CC1CS1 1458a_100000191162_100000031435 [0,1,0,1,0,0|2,0,0]=4 19593 B12R1.563 CCCCSCC(=O)C[C@@H]1CO1 1458a_100000191162_100000745022 [0,1,0,1,0,0|2,0,0]=4 19594 B12R1.563 CCCCSCC(=O)NC1CC1 1626a_100000212008_100000191162 [0,1,0,1,0,0|1,0,0]=3 19595 B12R1.563 CCCCSCC(=O)NC1CC1 240690a_100000212008_100000191162 [0,1,0,1,0,0|1,0,0]=3 19596 B12R1.563 CCCCSCC(=O)NC1CC1 527a_100000212008_100000191162 [0,1,0,1,0,0|1,0,0]=3 19597 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000182950_100000210210 [0,1,0,1,0,0|1,0,0]=3 19598 B12R1.563 CCCCSCC(=O)NC1CC1 62a_100000210211_100000182950 [0,1,0,1,0,0|1,0,0]=3 19599 B12R1.563 CCCOCCC(=O)CC1CC1 1458a_100000738066_100011215938 [0,1,0,1,0,0|1,0,0]=3 19600 B12R1.563 CCCOCCC(=O)NC1CC1 34a_100000210258_100000737409 [0,1,0,1,0,0|1,0,0]=3 19601 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000210303_100000737409 [0,1,0,1,0,0|1,0,0]=3 19602 B12R1.563 CCCSCCC(=O)NC1CC1 62a_100000737409_100000210303 [0,1,0,1,0,0|1,0,0]=3 19603 B12R1.563 CCOCCCC(=O)CC1CC1 1458a_100000738066_100012232248 [0,1,0,1,0,0|1,0,0]=3 19604 B12R1.563 CCOCCNC(=O)CC1CC1 11a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 19605 B12R1.563 CCOCCNC(=O)CC1CC1 1626a_102516460346_100000738066 [0,1,0,1,0,0|2,0,0]=4 19606 B12R1.563 CCOCCNC(=O)CC1CC1 240690a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 19607 B12R1.563 CCOCCNC(=O)CC1CC1 527a_100011200944_100000738066 [0,1,0,1,0,0|2,0,0]=4 19608 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 19609 B12R1.563 CCOCCNC(=O)NC1CC1 2708a_100011200944_100000212008 [0,1,0,1,0,0|2,0,0]=4 19610 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_100000212008_102516460346 [0,1,0,1,0,0|2,0,0]=4 19611 B12R1.563 CCOCCNC(=O)NC1CC1 273464a_102516460346_100000212008 [0,1,0,1,0,0|2,0,0]=4 19612 B12R1.563 CCOCCNC(=O)NC1CC1 512a_100000212008_100011200944 [0,1,0,1,0,0|2,0,0]=4 19613 B12R1.563 CCOCSCC(=O)NC1CC1 62a_100000182950_100000739092 [0,1,0,1,0,0|2,0,0]=4 19614 B12R1.563 CCOCSCC(=O)NC1CC1 62a_100000739092_100000182950 [0,1,0,1,0,0|2,0,0]=4 19615 B12R1.563 CCSCCNC(=O)CC1CC1 11a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 19616 B12R1.563 CCSCCNC(=O)CC1CC1 1626a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 19617 B12R1.563 CCSCCNC(=O)CC1CC1 240690a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 19618 B12R1.563 CCSCCNC(=O)CC1CC1 527a_100000106463_100000738066 [0,1,0,1,0,0|2,0,0]=4 19619 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 19620 B12R1.563 CCSCCNC(=O)NC1CC1 2708a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 19621 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000106463_100000212008 [0,1,0,1,0,0|2,0,0]=4 19622 B12R1.563 CCSCCNC(=O)NC1CC1 273464a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 19623 B12R1.563 CCSCCNC(=O)NC1CC1 512a_100000212008_100000106463 [0,1,0,1,0,0|2,0,0]=4 19624 B12R1.563 COCCCCC(=O)CC1CC1 1458a_100000738066_100000755781 [0,1,0,1,0,0|1,0,0]=3 19625 B12R1.563 COCCCNC(=O)CC1CC1 1626a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 19626 B12R1.563 COCCCNC(=O)CC1CC1 240690a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 19627 B12R1.563 COCCCNC(=O)CC1CC1 527a_100150723488_100000738066 [0,1,0,1,0,0|2,0,0]=4 19628 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 19629 B12R1.563 COCCCNC(=O)NC1CC1 2708a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 19630 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 19631 B12R1.563 COCCCNC(=O)NC1CC1 273464a_100150723488_100000212008 [0,1,0,1,0,0|2,0,0]=4 19632 B12R1.563 COCCCNC(=O)NC1CC1 512a_100000212008_100150723488 [0,1,0,1,0,0|2,0,0]=4 19633 B12R1.563 COCCNCC(=O)NC1CC1 2230a_100000209980_100000182950 [0,1,0,1,0,0|2,0,0]=4 19634 B12R1.563 COCCNCC(=O)NC1CC1 2230a_100000702991_100011201679 [0,1,0,1,0,0|2,0,0]=4 19635 B12R1.563 COCCOCC(=O)CC1CC1 1458a_100000211095_100000742324 [0,1,0,1,0,0|2,0,0]=4 19636 B12R1.563 COCCOCC(=O)NC1CC1 1626a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 19637 B12R1.563 COCCOCC(=O)NC1CC1 240690a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 19638 B12R1.563 COCCOCC(=O)NC1CC1 34a_100000210237_100000182950 [0,1,0,1,0,0|2,0,0]=4 19639 B12R1.563 COCCOCC(=O)NC1CC1 527a_100000212008_100000211095 [0,1,0,1,0,0|2,0,0]=4 19640 B12R1.563 COCCSCC(=O)NC1CC1 62a_100000182950_100000233755 [0,1,0,1,0,0|2,0,0]=4 19641 B12R1.563 COCCSCC(=O)NC1CC1 62a_100000233755_100000182950 [0,1,0,1,0,0|2,0,0]=4 19642 B12R1.563 COCSCCC(=O)NC1CC1 62a_100000737409_100000766300 [0,1,0,1,0,0|2,0,0]=4 19643 B12R1.563 COCSCCC(=O)NC1CC1 62a_100000766300_100000737409 [0,1,0,1,0,0|2,0,0]=4 19644 B12R1.563 CSCCCNC(=O)CC1CC1 11a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 19645 B12R1.563 CSCCCNC(=O)CC1CC1 1626a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 19646 B12R1.563 CSCCCNC(=O)CC1CC1 240690a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 19647 B12R1.563 CSCCCNC(=O)CC1CC1 527a_100000749238_100000738066 [0,1,0,1,0,0|2,0,0]=4 19648 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 19649 B12R1.563 CSCCCNC(=O)NC1CC1 2708a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 19650 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 19651 B12R1.563 CSCCCNC(=O)NC1CC1 273464a_100000749238_100000212008 [0,1,0,1,0,0|2,0,0]=4 19652 B12R1.563 CSCCCNC(=O)NC1CC1 512a_100000212008_100000749238 [0,1,0,1,0,0|2,0,0]=4 19653 B12R1.563 CSCCNCC(=O)NC1CC1 2230a_100000702991_100000751147 [0,1,0,1,0,0|2,0,0]=4 19654 B12R1.563 CSCCNCC(=O)NC1CC1 2230a_100020590264_100000182950 [0,1,0,1,0,0|2,0,0]=4 19655 B12R1.563 CSCCOCC(=O)NC1CC1 34a_100000230434_100000182950 [0,1,0,1,0,0|2,0,0]=4 19656 B12R1.563 CSCCOCC(=O)NC1CC1 7a_100000230434_100000182950 [0,1,0,1,0,0|2,0,0]=4 19657 B12R1.563 CSCCSCC(=O)NC1CC1 62a_100000182950_100000751147 [0,1,0,1,0,0|2,0,0]=4 19658 B12R1.563 CSCCSCC(=O)NC1CC1 62a_100000212216_100000182950 [0,1,0,1,0,0|2,0,0]=4 19659 B12R1.563 CSCSCCC(=O)NC1CC1 62a_100000737409_100011218213 [0,1,0,1,0,0|2,0,0]=4 19660 B12R1.563 CSCSCCC(=O)NC1CC1 62a_100011218213_100000737409 [0,1,0,1,0,0|2,0,0]=4 19661 B12R1.563 N#CCCCCC(=O)CC1CC1 1458a_100000738066_100000211819 [0,1,0,1,0,0|1,0,1]=4 19662 B12R1.563 NCCCOCC(=O)NC1CC1 34a_100000182051_100000182950 [0,1,0,1,0,0|2,0,0]=4 19663 B12R1.563 NCCOCCC(=O)NC1CC1 34a_100000210304_100000737409 [0,1,0,1,0,0|2,0,0]=4 19664 B12R1.563 O=C(CC1CC1)NCCCCO 240690a_100000750430_100000738066 [0,1,0,1,0,0|2,0,0]=4 19665 B12R1.563 O=C(CC1CC1)NCCCCO 527a_100000750430_100000738066 [0,1,0,1,0,0|2,0,0]=4 19666 B12R1.563 O=C(CCCCCF)CC1CC1 1458a_100000738066_100000729378 [0,1,0,1,0,0|1,0,0]=3 19667 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100000738066_100000746330 [0,1,0,1,0,0|1,0,0]=3 19668 B12R1.563 O=C(CCCCCO)CC1CC1 1458a_100102619762_100000742324 [0,1,0,1,0,0|1,0,0]=3 19669 B12R1.563 O=C(CCCCCO)CC1CO1 1458a_100102619762_100011216344 [0,1,0,1,0,0|2,0,0]=4 19670 B12R1.563 O=C(CCCCCO)CC1CS1 1458a_100102619762_100000031435 [0,1,0,1,0,0|2,0,0]=4 19671 B12R1.563 O=C(CCCCCO)C[C@@H]1CO1 1458a_100102619762_100000745022 [0,1,0,1,0,0|2,0,0]=4 19672 B12R1.563 O=C(CCCCCO)NC1CC1 240690a_100000212008_100102619762 [0,1,0,1,0,0|1,0,0]=3 19673 B12R1.563 O=C(CCNCCF)NC1CC1 34a_100000724931_100000737409 [0,1,0,1,0,0|2,0,0]=4 19674 B12R1.563 O=C(CCNCCO)NC1CC1 2230a_100016997473_100000737409 [0,1,0,1,0,0|2,0,0]=4 19675 B12R1.563 O=C(CCNCCO)NC1CC1 34a_100016990907_100000737409 [0,1,0,1,0,0|2,0,0]=4 19676 B12R1.563 O=C(CCOCCBr)NC1CC1 34a_100000211926_100000737409 [0,1,0,1,0,0|2,0,0]=4 19677 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100000738066_100011215305 [0,1,0,1,0,0|2,0,0]=4 19678 B12R1.563 O=C(CCOCCO)CC1CC1 1458a_100011229844_100000742324 [0,1,0,1,0,0|2,0,0]=4 19679 B12R1.563 O=C(CCOCCO)NC1CC1 1626a_100000212008_100011229844 [0,1,0,1,0,0|2,0,0]=4 19680 B12R1.563 O=C(CCOCCO)NC1CC1 240690a_100000212008_100011229844 [0,1,0,1,0,0|2,0,0]=4 19681 B12R1.563 O=C(CCSCCF)NC1CC1 62a_100000737409_100011217306 [0,1,0,1,0,0|2,0,0]=4 19682 B12R1.563 O=C(CCSCCF)NC1CC1 62a_100011217306_100000737409 [0,1,0,1,0,0|2,0,0]=4 19683 B12R1.563 O=C(CCSCCO)NC1CC1 62a_100000211926_100000737409 [0,1,0,1,0,0|2,0,0]=4 19684 B12R1.563 O=C(CCSCCO)NC1CC1 62a_100000737409_100000211926 [0,1,0,1,0,0|2,0,0]=4 19685 B12R1.563 O=C(CNCCCF)NC1CC1 2230a_100000702991_100011934791 [0,1,0,1,0,0|2,0,0]=4 19686 B12R1.563 O=C(CNCCCF)NC1CC1 2230a_100015189416_100000182950 [0,1,0,1,0,0|2,0,0]=4 19687 B12R1.563 O=C(CNCCCF)NC1CC1 34a_100015189416_100000182950 [0,1,0,1,0,0|2,0,0]=4 19688 B12R1.563 O=C(CNCCCO)NC1CC1 2230a_100000702991_100000230001 [0,1,0,1,0,0|2,0,0]=4 19689 B12R1.563 O=C(COCCCBr)NC1CC1 34a_100011217188_100000182950 [0,1,0,1,0,0|2,0,0]=4 19690 B12R1.563 O=C(COCCCCl)NC1CC1 34a_100000230001_100000182950 [0,1,0,1,0,0|2,0,0]=4 19691 B12R1.563 O=C(COCCCF)NC1CC1 34a_100000759539_100000182950 [0,1,0,1,0,0|2,0,0]=4 19692 B12R1.563 O=C(CSCCCF)NC1CC1 62a_100000182950_100011934791 [0,1,0,1,0,0|2,0,0]=4 19693 B12R1.563 O=C(CSCCCF)NC1CC1 62a_100011934791_100000182950 [0,1,0,1,0,0|2,0,0]=4 19694 B12R1.563 O=C(CSCCCO)NC1CC1 62a_100000182950_100011215043 [0,1,0,1,0,0|2,0,0]=4 19695 B12R1.563 O=C(CSCCCO)NC1CC1 62a_100011215043_100000182950 [0,1,0,1,0,0|2,0,0]=4 19696 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 19697 B12R1.563 O=C(NCCCCO)NC1CC1 2708a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 19698 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 19699 B12R1.563 O=C(NCCCCO)NC1CC1 273464a_100000750430_100000212008 [0,1,0,1,0,0|2,0,0]=4 19700 B12R1.563 O=C(NCCCCO)NC1CC1 512a_100000212008_100000750430 [0,1,0,1,0,0|2,0,0]=4 19701 B12R1.567 CCCCOC1C(=O)COC1=O 34a_100000210227_100000032967 [0,1,0,1,0,0|1,0,1]=4 19702 B12R1.567 CCCCSC1C(=O)COC1=O 62a_100000210211_100000032967 [0,1,0,1,0,0|1,0,1]=4 19703 B12R1.1112 CCCC1C(=O)NCCN1CC 2230a_200000695202_100000210202 [0,1,0,1,0,0|2,0,0]=4 19704 B12R1.1112 CCCC1C(=O)NCCN1CC 269982a_200000695202_100000204670 [0,1,0,1,0,0|2,0,0]=4 19705 B12R1.1112 CCCC1C(=O)NCCN1CC 34a_200000695202_100000210202 [0,1,0,1,0,0|2,0,0]=4 19706 B12R1.1785 CCCOC1(CCCCCC1)C 34a_100000708895_100000210303 [0,1,0,1,0,0|1,0,1]=4 19707 B12R1.1785 CCCOC1(CCCCCC1)C 7a_100000708895_100000210303 [0,1,0,1,0,0|1,0,1]=4 19708 B12R1.1785 CCCOC1(CCCNCC1)C 34a_100000723723_100000210303 [0,1,0,1,0,0|1,0,1]=4 19709 B12R1.2563 C#CCCCCC(=O)C1CC1C 1458a_100000211227_100010269958 [0,1,0,1,0,0|1,0,1]=4 19710 B12R1.2563 C=CCCCCC(=O)C1CC1C 1458a_100000211227_100011215482 [0,1,0,1,0,0|1,0,1]=4 19711 B12R1.2563 CC/C=C\CCC(=O)C1CC1C 1458a_100000211227_100015370543 [0,1,0,1,0,0|1,0,1]=4 19712 B12R1.2563 CC1CC1C(=O)CCCCC#N 1458a_100000211227_100000211819 [0,1,0,1,0,0|1,0,1]=4 19713 B12R1.2563 CC1CC1C(=O)CCCCCF 1458a_100000211227_100000729378 [0,1,0,1,0,0|1,0,0]=3 19714 B12R1.2563 CC1CC1C(=O)CCCCCO 1458a_100000211227_100000746330 [0,1,0,1,0,0|1,0,0]=3 19715 B12R1.2563 CC1CC1C(=O)CCOCCO 1458a_100000211227_100011215305 [0,1,0,1,0,0|2,0,0]=4 19716 B12R1.2563 CC1CC1C(=O)NCCCCO 527a_100000750430_100000211227 [0,1,0,1,0,0|2,0,0]=4 19717 B12R1.2563 CCCCCCC(=O)C1CC1C 1458a_100000211227_100000210757 [0,1,0,1,0,0|1,0,0]=3 19718 B12R1.2563 CCCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210757 [0,1,0,1,0,0|2,0,0]=4 19719 B12R1.2563 CCCCCNC(=O)C1CC1C 11a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 19720 B12R1.2563 CCCCCNC(=O)C1CC1C 1626a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 19721 B12R1.2563 CCCCCNC(=O)C1CC1C 527a_100000209983_100000211227 [0,1,0,1,0,0|1,0,0]=3 19722 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 19723 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 19724 B12R1.2563 CCCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000209983_100015396687 [0,1,0,1,0,0|2,0,0]=4 19725 B12R1.2563 CCCCNNC(=O)C1CC1C 22a_100025702795_100000211227 [0,1,0,1,0,0|2,0,0]=4 19726 B12R1.2563 CCCCOCC(=O)C1CC1C 1458a_100000211227_100011995733 [0,1,0,1,0,0|1,0,0]=3 19727 B12R1.2563 CCCCOCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011995733 [0,1,0,1,0,0|2,0,0]=4 19728 B12R1.2563 CCCOCCC(=O)C1CC1C 1458a_100000211227_100011215938 [0,1,0,1,0,0|1,0,0]=3 19729 B12R1.2563 CCCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215938 [0,1,0,1,0,0|2,0,0]=4 19730 B12R1.2563 CCOCCCC(=O)C1CC1C 1458a_100000211227_100012232248 [0,1,0,1,0,0|1,0,0]=3 19731 B12R1.2563 CCOCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100012232248 [0,1,0,1,0,0|2,0,0]=4 19732 B12R1.2563 CCOCCNC(=O)C1CC1C 11a_100011200944_100000211227 [0,1,0,1,0,0|2,0,0]=4 19733 B12R1.2563 CCOCCNC(=O)C1CC1C 1626a_102516460346_100000211227 [0,1,0,1,0,0|2,0,0]=4 19734 B12R1.2563 CCOCCNC(=O)C1CC1C 527a_100011200944_100000211227 [0,1,0,1,0,0|2,0,0]=4 19735 B12R1.2563 CCSCCNC(=O)C1CC1C 11a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 19736 B12R1.2563 CCSCCNC(=O)C1CC1C 1626a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 19737 B12R1.2563 CCSCCNC(=O)C1CC1C 527a_100000106463_100000211227 [0,1,0,1,0,0|2,0,0]=4 19738 B12R1.2563 COCCCCC(=O)C1CC1C 1458a_100000211227_100000755781 [0,1,0,1,0,0|1,0,0]=3 19739 B12R1.2563 COCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000755781 [0,1,0,1,0,0|2,0,0]=4 19740 B12R1.2563 COCCCNC(=O)C1CC1C 1626a_100150723488_100000211227 [0,1,0,1,0,0|2,0,0]=4 19741 B12R1.2563 COCCCNC(=O)C1CC1C 527a_100150723488_100000211227 [0,1,0,1,0,0|2,0,0]=4 19742 B12R1.2563 CSCCCNC(=O)C1CC1C 11a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 19743 B12R1.2563 CSCCCNC(=O)C1CC1C 1626a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 19744 B12R1.2563 CSCCCNC(=O)C1CC1C 527a_100000749238_100000211227 [0,1,0,1,0,0|2,0,0]=4 19745 B12R1.2563 O=C(CCCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729378 [0,1,0,1,0,0|2,0,0]=4 19746 B12R1.2563 O=C(CCCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000746330 [0,1,0,1,0,0|2,0,0]=4 19747 B12R1.28 CC1CCCC(C1)OCCCF 34a_100000211399_100011934791 [0,1,0,1,0,0|1,0,1]=4 19748 B12R1.28 CC1CCCC(C1)OCCCO 34a_100000211399_100000230001 [0,1,0,1,0,0|1,0,1]=4 19749 B12R1.28 CCCCOC1CCCC(C1)C 34a_100000211399_100000210210 [0,1,0,1,0,0|1,0,1]=4 19750 B12R1.28 CCCNN=C1CCCC(C1)C 4a_100000740057_100000183594 [0,1,0,1,0,0|2,0,0]=4 19751 B12R1.28 COCCOC1CCCC(C1)C 34a_100000211399_100011201679 [0,1,0,1,0,0|1,0,1]=4 19752 B12R1.28 CSCCOC1CCCC(C1)C 34a_100000211399_100000212216 [0,1,0,1,0,0|1,0,1]=4 19753 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000210718_100000731252 [0,1,0,1,0,0|1,0,1]=4 19754 B12R1.35 C#CCCCC(=O)C1CCCC1 1458a_100000690238_100000179811 [0,1,0,1,0,0|1,0,1]=4 19755 B12R1.35 C#CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000731252 [0,1,0,1,0,0|0,0,2]=4 19756 B12R1.35 C#CCCNC(=O)C1CCCC1 11a_100000755551_100000210718 [0,1,0,1,0,0|1,0,1]=4 19757 B12R1.35 C#CCCNC(=O)C1CCCC1 1626a_100000755551_100000210718 [0,1,0,1,0,0|1,0,1]=4 19758 B12R1.35 C#CCCNC(=O)C1CCCC1 240690a_100000755551_100000210718 [0,1,0,1,0,0|1,0,1]=4 19759 B12R1.35 C#CCCNC(=O)C1CCCC1 527a_100000755551_100000210718 [0,1,0,1,0,0|1,0,1]=4 19760 B12R1.35 C#CCOCC(=O)C1CCCC1 1458a_100011251226_100000179811 [0,1,0,1,0,0|0,0,2]=4 19761 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000210718_100000757094 [0,1,0,1,0,0|1,0,1]=4 19762 B12R1.35 C=CCCCC(=O)C1CCCC1 1458a_100000766728_100000179811 [0,1,0,1,0,0|1,0,1]=4 19763 B12R1.35 C=CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757094 [0,1,0,1,0,0|0,0,2]=4 19764 B12R1.35 C=CCCNC(=O)C1CCCC1 11a_100015191253_100000210718 [0,1,0,1,0,0|1,0,1]=4 19765 B12R1.35 C=CCCNC(=O)C1CCCC1 1626a_100015191253_100000210718 [0,1,0,1,0,0|1,0,1]=4 19766 B12R1.35 C=CCCNC(=O)C1CCCC1 240690a_100015191253_100000210718 [0,1,0,1,0,0|1,0,1]=4 19767 B12R1.35 C=CCCNC(=O)C1CCCC1 527a_100015191253_100000210718 [0,1,0,1,0,0|1,0,1]=4 19768 B12R1.35 CC#CCNC(=O)C1CCCC1 11a_100000685387_100000210718 [0,1,0,1,0,0|1,0,1]=4 19769 B12R1.35 CC#CCNC(=O)C1CCCC1 1626a_100000685387_100000210718 [0,1,0,1,0,0|1,0,1]=4 19770 B12R1.35 CC#CCNC(=O)C1CCCC1 527a_100000685387_100000210718 [0,1,0,1,0,0|1,0,1]=4 19771 B12R1.35 CC(OCCCF)C1CCCC1 34a_100011216366_100011934791 [0,1,0,1,0,0|1,0,1]=4 19772 B12R1.35 CC(OCCCF)C1CCCC1 7a_100011216366_100011934791 [0,1,0,1,0,0|1,0,1]=4 19773 B12R1.35 CC(OCCCO)C1CCCC1 34a_100011216366_100000230001 [0,1,0,1,0,0|1,0,1]=4 19774 B12R1.35 CC(OCCCO)C1CCCC1 7a_100011216366_100011215043 [0,1,0,1,0,0|1,0,1]=4 19775 B12R1.35 CC/C=C/CC(=O)C1CCCC1 1458a_100016274230_100000179811 [0,1,0,1,0,0|1,0,1]=4 19776 B12R1.35 CC/C=C\CC(=O)C1CCCC1 1458a_100000210718_100103147603 [0,1,0,1,0,0|1,0,1]=4 19777 B12R1.35 CC/C=C\CC(=O)[C@@H]1CCCO1 1458a_100000686382_100103147603 [0,1,0,1,0,0|0,0,2]=4 19778 B12R1.35 CCC#CCC(=O)C1CCCC1 1458a_100000210718_100009813939 [0,1,0,1,0,0|1,0,1]=4 19779 B12R1.35 CCC#CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100009813939 [0,1,0,1,0,0|0,0,2]=4 19780 B12R1.35 CCC=NNC(=O)C1CCCC1 4a_100000189808_100000210100 [0,1,0,1,0,0|1,0,1]=4 19781 B12R1.35 CCCC#CC(=O)C1CCCC1 1458a_200011218047_100000179811 [0,1,0,1,0,0|1,0,0]=3 19782 B12R1.35 CCCC#CC(=O)C1CCOC1 1458a_200011218047_100000690089 [0,1,0,1,0,0|2,0,0]=4 19783 B12R1.35 CCCC#CC(=O)N1CCCC1 240690a_100000188435_200011218047 [0,1,0,1,0,0|2,0,0]=4 19784 B12R1.35 CCCC=CC(=O)C1CCCC1 1458a_100000212230_100000179811 [0,1,0,1,0,0|1,0,0]=3 19785 B12R1.35 CCCC=CC(=O)C1CCOC1 1458a_100000212230_100000690089 [0,1,0,1,0,0|2,0,0]=4 19786 B12R1.35 CCCC=CC(=O)N1CCCC1 240690a_100000188435_100000212230 [0,1,0,1,0,0|2,0,0]=4 19787 B12R1.35 CCCCCC(=O)C1=CCCC1 1458a_100000038896_100000210326 [0,1,0,1,0,0|1,0,0]=3 19788 B12R1.35 CCCCCC(=O)C1=CCOC1 1458a_100000139269_100000210326 [0,1,0,1,0,0|1,0,1]=4 19789 B12R1.35 CCCCCC(=O)C1=COCC1 1458a_100000750620_100000210326 [0,1,0,1,0,0|1,0,1]=4 19790 B12R1.35 CCCCCC(=O)C1CC=CC1 1458a_100000759439_100000210326 [0,1,0,1,0,0|1,0,1]=4 19791 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000210718_100000210326 [0,1,0,1,0,0|1,0,0]=3 19792 B12R1.35 CCCCCC(=O)C1CCCC1 1458a_100000212188_100000179811 [0,1,0,1,0,0|1,0,0]=3 19793 B12R1.35 CCCCCC(=O)C1CCCS1 1458a_100012002731_100000210326 [0,1,0,1,0,0|0,1,0]=3 19794 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100000212188_100000690089 [0,1,0,1,0,0|1,0,0]=3 19795 B12R1.35 CCCCCC(=O)C1CCOC1 1458a_100011219752_100000210326 [0,1,0,1,0,0|1,0,0]=3 19796 B12R1.35 CCCCCC(=O)N1CC=CC1 1626a_100015195280_100000212188 [0,1,0,1,0,0|1,0,1]=4 19797 B12R1.35 CCCCCC(=O)N1CC=CC1 240690a_100015195280_100000212188 [0,1,0,1,0,0|1,0,1]=4 19798 B12R1.35 CCCCCC(=O)N1CCCC1 240690a_100000188435_100000212188 [0,1,0,1,0,0|1,0,0]=3 19799 B12R1.35 CCCCCC(=O)N1CCCC1 527a_100000188435_100000212188 [0,1,0,1,0,0|1,0,0]=3 19800 B12R1.35 CCCCCC(=O)N1CCSC1 11a_100011215254_100000212188 [0,1,0,1,0,0|1,0,0]=3 19801 B12R1.35 CCCCCC(=O)N1CCSC1 240690a_100011215254_100000212188 [0,1,0,1,0,0|1,0,0]=3 19802 B12R1.35 CCCCCC(=O)N1CCSC1 527a_100011215254_100000212188 [0,1,0,1,0,0|1,0,0]=3 19803 B12R1.35 CCCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210326 [0,1,0,1,0,0|0,0,0]=2 19804 B12R1.35 CCCCNC(=O)C1=CCCC1 11a_100000102301_100000038896 [0,1,0,1,0,0|2,0,0]=4 19805 B12R1.35 CCCCNC(=O)C1=CCCC1 1626a_100000102301_100000038896 [0,1,0,1,0,0|2,0,0]=4 19806 B12R1.35 CCCCNC(=O)C1=CCCC1 240690a_100000102301_100000038896 [0,1,0,1,0,0|2,0,0]=4 19807 B12R1.35 CCCCNC(=O)C1CCCC1 11a_100000102301_100000210718 [0,1,0,1,0,0|1,0,0]=3 19808 B12R1.35 CCCCNC(=O)C1CCCC1 1626a_100000102301_100000210718 [0,1,0,1,0,0|1,0,0]=3 19809 B12R1.35 CCCCNC(=O)C1CCCC1 240690a_100000102301_100000210718 [0,1,0,1,0,0|1,0,0]=3 19810 B12R1.35 CCCCNC(=O)C1CCCC1 527a_100000102301_100000210718 [0,1,0,1,0,0|1,0,0]=3 19811 B12R1.35 CCCCNC(=O)C1CCCS1 11a_100000102301_100012002731 [0,1,0,1,0,0|1,1,0]=4 19812 B12R1.35 CCCCNC(=O)C1CCCS1 1626a_100000102301_100012002731 [0,1,0,1,0,0|1,1,0]=4 19813 B12R1.35 CCCCNC(=O)C1CCCS1 240690a_100000102301_100012002731 [0,1,0,1,0,0|1,1,0]=4 19814 B12R1.35 CCCCNC(=O)C1CCCS1 527a_100000102301_100012002731 [0,1,0,1,0,0|1,1,0]=4 19815 B12R1.35 CCCCNC(=O)C1CCOC1 11a_100000102301_100011219752 [0,1,0,1,0,0|2,0,0]=4 19816 B12R1.35 CCCCNC(=O)C1CCOC1 1626a_100000102301_100011219752 [0,1,0,1,0,0|2,0,0]=4 19817 B12R1.35 CCCCNC(=O)C1CCOC1 240690a_100000102301_100011219752 [0,1,0,1,0,0|2,0,0]=4 19818 B12R1.35 CCCCNC(=O)C1CCOC1 527a_100000102301_100011219752 [0,1,0,1,0,0|2,0,0]=4 19819 B12R1.35 CCCCNC(=O)N1CCCC1 2708a_100000102301_100000188435 [0,1,0,1,0,0|2,0,0]=4 19820 B12R1.35 CCCCNC(=O)N1CCCC1 273464a_100000102301_100000188435 [0,1,0,1,0,0|2,0,0]=4 19821 B12R1.35 CCCCNC(=O)N1CCSC1 2708a_100000102301_100011215254 [0,1,0,1,0,0|2,0,0]=4 19822 B12R1.35 CCCCNC(=O)N1CCSC1 273464a_100000102301_100011215254 [0,1,0,1,0,0|2,0,0]=4 19823 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 11a_100000102301_100000686382 [0,1,0,1,0,0|1,0,0]=3 19824 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 1626a_100000102301_100000686382 [0,1,0,1,0,0|1,0,0]=3 19825 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 240690a_100000102301_100000686382 [0,1,0,1,0,0|1,0,0]=3 19826 B12R1.35 CCCCNC(=O)[C@@H]1CCCO1 527a_100000102301_100000686382 [0,1,0,1,0,0|1,0,0]=3 19827 B12R1.35 CCCCOC(C)C1CCCC1 34a_100011216366_100000210210 [0,1,0,1,0,0|1,0,1]=4 19828 B12R1.35 CCCCOC(C)C1CCCC1 7a_100011216366_100000210211 [0,1,0,1,0,0|1,0,1]=4 19829 B12R1.35 CCCNCC(=O)N1CCCC1 2230a_100000751844_100000210303 [0,1,0,1,0,0|2,0,0]=4 19830 B12R1.35 CCCNN=C(C)C1CCCC1 4a_100000740057_100000749594 [0,1,0,1,0,0|2,0,0]=4 19831 B12R1.35 CCCNNC(=O)C1CCCC1 22a_100000740057_100000210718 [0,1,0,1,0,0|1,0,0]=3 19832 B12R1.35 CCCNNC(=O)C1CCCS1 22a_100000740057_100012002731 [0,1,0,1,0,0|2,0,0]=4 19833 B12R1.35 CCCNNC(=O)C1CCOC1 22a_100000740057_100011219752 [0,1,0,1,0,0|2,0,0]=4 19834 B12R1.35 CCCNNC(=O)[C@@H]1CCCO1 22a_100000740057_100000686382 [0,1,0,1,0,0|2,0,0]=4 19835 B12R1.35 CCCOCC(=O)C1CCCC1 1458a_100000745993_100000179811 [0,1,0,1,0,0|0,0,0]=2 19836 B12R1.35 CCCOCC(=O)C1CCOC1 1458a_100000745993_100000690089 [0,1,0,1,0,0|1,0,0]=3 19837 B12R1.35 CCCOCC(=O)N1CCCC1 240690a_100000188435_100000745993 [0,1,0,1,0,0|1,0,0]=3 19838 B12R1.35 CCCOCC(=O)N1CCCC1 34a_100000210258_100000183516 [0,1,0,1,0,0|1,0,0]=3 19839 B12R1.35 CCCOCC(=O)N1CCCC1 527a_100000188435_100000745993 [0,1,0,1,0,0|1,0,0]=3 19840 B12R1.35 CCCOCC(=O)N1CCCC1 7a_200000752455_100000210303 [0,1,0,1,0,0|1,0,0]=3 19841 B12R1.35 CCCOCC(=O)N1CCSC1 11a_100011215254_100000745993 [0,1,0,1,0,0|2,0,0]=4 19842 B12R1.35 CCCOCC(=O)N1CCSC1 240690a_100011215254_100000745993 [0,1,0,1,0,0|2,0,0]=4 19843 B12R1.35 CCCOCC(=O)N1CCSC1 527a_100011215254_100000745993 [0,1,0,1,0,0|2,0,0]=4 19844 B12R1.35 CCCSCC(=O)C1CCCC1 1458a_100000217233_100000179811 [0,1,0,1,0,0|0,1,0]=3 19845 B12R1.35 CCCSCC(=O)C1CCOC1 1458a_100000217233_100000690089 [0,1,0,1,0,0|1,1,0]=4 19846 B12R1.35 CCCSCC(=O)N1CCCC1 240690a_100000188435_100000217233 [0,1,0,1,0,0|1,1,0]=4 19847 B12R1.35 CCCSCC(=O)N1CCCC1 527a_100000188435_100000217233 [0,1,0,1,0,0|1,1,0]=4 19848 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000183516_100000210303 [0,1,0,1,0,0|1,1,0]=4 19849 B12R1.35 CCCSCC(=O)N1CCCC1 62a_100000210303_100000183516 [0,1,0,1,0,0|1,1,0]=4 19850 B12R1.35 CCCSCC(=O)N1CCSC1 11a_100011215254_100000217233 [0,1,0,1,0,0|2,0,0]=4 19851 B12R1.35 CCCSCC(=O)N1CCSC1 240690a_100011215254_100000217233 [0,1,0,1,0,0|2,0,0]=4 19852 B12R1.35 CCCSCC(=O)N1CCSC1 527a_100011215254_100000217233 [0,1,0,1,0,0|2,0,0]=4 19853 B12R1.35 CCNCCC(=O)N1CCCC1 2230a_100015525214_100011194422 [0,1,0,1,0,0|2,0,0]=4 19854 B12R1.35 CCOC=CC(=O)C1CCCC1 1458a_100016266692_100000179811 [0,1,0,1,0,0|1,0,1]=4 19855 B12R1.35 CCOCCC(=O)C1=CCCC1 1458a_100000038896_100011215890 [0,1,0,1,0,0|2,0,0]=4 19856 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000210718_100011215890 [0,1,0,1,0,0|1,0,0]=3 19857 B12R1.35 CCOCCC(=O)C1CCCC1 1458a_100000749530_100000179811 [0,1,0,1,0,0|1,0,0]=3 19858 B12R1.35 CCOCCC(=O)C1CCCS1 1458a_100012002731_100011215890 [0,1,0,1,0,0|1,1,0]=4 19859 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100000749530_100000690089 [0,1,0,1,0,0|2,0,0]=4 19860 B12R1.35 CCOCCC(=O)C1CCOC1 1458a_100011219752_100011215890 [0,1,0,1,0,0|2,0,0]=4 19861 B12R1.35 CCOCCC(=O)N1CCCC1 240690a_100000188435_100000749530 [0,1,0,1,0,0|2,0,0]=4 19862 B12R1.35 CCOCCC(=O)N1CCCC1 34a_100121572206_100011194422 [0,1,0,1,0,0|2,0,0]=4 19863 B12R1.35 CCOCCC(=O)N1CCCC1 527a_100000188435_100000749530 [0,1,0,1,0,0|2,0,0]=4 19864 B12R1.35 CCOCCC(=O)N1CCSC1 11a_100011215254_100000749530 [0,1,0,1,0,0|2,0,0]=4 19865 B12R1.35 CCOCCC(=O)N1CCSC1 240690a_100011215254_100000749530 [0,1,0,1,0,0|2,0,0]=4 19866 B12R1.35 CCOCCC(=O)N1CCSC1 527a_100011215254_100000749530 [0,1,0,1,0,0|2,0,0]=4 19867 B12R1.35 CCOCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100011215890 [0,1,0,1,0,0|1,0,0]=3 19868 B12R1.35 CCSCCC(=O)C1=CCCC1 1458a_100000038896_100000757381 [0,1,0,1,0,0|2,0,0]=4 19869 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000210718_100000757381 [0,1,0,1,0,0|1,0,0]=3 19870 B12R1.35 CCSCCC(=O)C1CCCC1 1458a_100000230768_100000179811 [0,1,0,1,0,0|1,0,0]=3 19871 B12R1.35 CCSCCC(=O)C1CCCS1 1458a_100012002731_100000757381 [0,1,0,1,0,0|1,1,0]=4 19872 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100000230768_100000690089 [0,1,0,1,0,0|2,0,0]=4 19873 B12R1.35 CCSCCC(=O)C1CCOC1 1458a_100011219752_100000757381 [0,1,0,1,0,0|2,0,0]=4 19874 B12R1.35 CCSCCC(=O)N1CCCC1 240690a_100000188435_100000230768 [0,1,0,1,0,0|2,0,0]=4 19875 B12R1.35 CCSCCC(=O)N1CCCC1 527a_100000188435_100000230768 [0,1,0,1,0,0|2,0,0]=4 19876 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100000210202_100011194422 [0,1,0,1,0,0|2,0,0]=4 19877 B12R1.35 CCSCCC(=O)N1CCCC1 62a_100011194422_100000210202 [0,1,0,1,0,0|2,0,0]=4 19878 B12R1.35 CCSCCC(=O)N1CCSC1 11a_100011215254_100000230768 [0,1,0,1,0,0|2,0,0]=4 19879 B12R1.35 CCSCCC(=O)N1CCSC1 240690a_100011215254_100000230768 [0,1,0,1,0,0|2,0,0]=4 19880 B12R1.35 CCSCCC(=O)N1CCSC1 527a_100011215254_100000230768 [0,1,0,1,0,0|2,0,0]=4 19881 B12R1.35 CCSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000757381 [0,1,0,1,0,0|1,0,0]=3 19882 B12R1.35 COCC=CC(=O)C1CCCC1 1458a_100016285016_100000179811 [0,1,0,1,0,0|1,0,1]=4 19883 B12R1.35 COCCCC(=O)C1=CCCC1 1458a_100000038896_100000740836 [0,1,0,1,0,0|2,0,0]=4 19884 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000210718_100000740836 [0,1,0,1,0,0|1,0,0]=3 19885 B12R1.35 COCCCC(=O)C1CCCC1 1458a_100000741012_100000179811 [0,1,0,1,0,0|1,0,0]=3 19886 B12R1.35 COCCCC(=O)C1CCCS1 1458a_100012002731_100000740836 [0,1,0,1,0,0|1,1,0]=4 19887 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100000741012_100000690089 [0,1,0,1,0,0|2,0,0]=4 19888 B12R1.35 COCCCC(=O)C1CCOC1 1458a_100011219752_100000740836 [0,1,0,1,0,0|2,0,0]=4 19889 B12R1.35 COCCCC(=O)N1CCCC1 240690a_100000188435_100000741012 [0,1,0,1,0,0|2,0,0]=4 19890 B12R1.35 COCCCC(=O)N1CCCC1 527a_100000188435_100000741012 [0,1,0,1,0,0|2,0,0]=4 19891 B12R1.35 COCCCC(=O)N1CCSC1 11a_100011215254_100000741012 [0,1,0,1,0,0|2,0,0]=4 19892 B12R1.35 COCCCC(=O)N1CCSC1 240690a_100011215254_100000741012 [0,1,0,1,0,0|2,0,0]=4 19893 B12R1.35 COCCCC(=O)N1CCSC1 527a_100011215254_100000741012 [0,1,0,1,0,0|2,0,0]=4 19894 B12R1.35 COCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000740836 [0,1,0,1,0,0|1,0,0]=3 19895 B12R1.35 COCCNC(=O)C1CCCC1 1626a_100000209980_100000210718 [0,1,0,1,0,0|1,0,0]=3 19896 B12R1.35 COCCNC(=O)C1CCCC1 240690a_100000209980_100000210718 [0,1,0,1,0,0|1,0,0]=3 19897 B12R1.35 COCCNC(=O)C1CCCC1 527a_100000209980_100000210718 [0,1,0,1,0,0|1,0,0]=3 19898 B12R1.35 COCCNC(=O)C1CCCS1 1626a_100000209980_100012002731 [0,1,0,1,0,0|2,0,0]=4 19899 B12R1.35 COCCNC(=O)C1CCCS1 240690a_100000209980_100012002731 [0,1,0,1,0,0|2,0,0]=4 19900 B12R1.35 COCCNC(=O)C1CCCS1 527a_100000209980_100012002731 [0,1,0,1,0,0|2,0,0]=4 19901 B12R1.35 COCCNC(=O)C1CCOC1 1626a_100000209980_100011219752 [0,1,0,1,0,0|2,0,0]=4 19902 B12R1.35 COCCNC(=O)C1CCOC1 240690a_100000209980_100011219752 [0,1,0,1,0,0|2,0,0]=4 19903 B12R1.35 COCCNC(=O)C1CCOC1 527a_100000209980_100011219752 [0,1,0,1,0,0|2,0,0]=4 19904 B12R1.35 COCCNC(=O)N1CCCC1 273464a_100000209980_100000188435 [0,1,0,1,0,0|2,0,0]=4 19905 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 1626a_100000209980_100000686382 [0,1,0,1,0,0|2,0,0]=4 19906 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 240690a_100000209980_100000686382 [0,1,0,1,0,0|2,0,0]=4 19907 B12R1.35 COCCNC(=O)[C@@H]1CCCO1 527a_100000209980_100000686382 [0,1,0,1,0,0|2,0,0]=4 19908 B12R1.35 COCCOC(C)C1CCCC1 34a_100011216366_100011201679 [0,1,0,1,0,0|1,0,1]=4 19909 B12R1.35 COCCOC(C)C1CCCC1 7a_100011216366_100000233755 [0,1,0,1,0,0|1,0,1]=4 19910 B12R1.35 CSCCCC(=O)C1CCCC1 1458a_100000173376_100000179811 [0,1,0,1,0,0|1,0,0]=3 19911 B12R1.35 CSCCCC(=O)C1CCOC1 1458a_100000173376_100000690089 [0,1,0,1,0,0|2,0,0]=4 19912 B12R1.35 CSCCCC(=O)N1CCCC1 240690a_100000188435_100000173376 [0,1,0,1,0,0|2,0,0]=4 19913 B12R1.35 CSCCCC(=O)N1CCCC1 527a_100000188435_100000173376 [0,1,0,1,0,0|2,0,0]=4 19914 B12R1.35 CSCCCC(=O)N1CCSC1 11a_100011215254_100000173376 [0,1,0,1,0,0|2,0,0]=4 19915 B12R1.35 CSCCCC(=O)N1CCSC1 240690a_100011215254_100000173376 [0,1,0,1,0,0|2,0,0]=4 19916 B12R1.35 CSCCCC(=O)N1CCSC1 527a_100011215254_100000173376 [0,1,0,1,0,0|2,0,0]=4 19917 B12R1.35 CSCCNC(=O)C1CCCC1 11a_100020590264_100000210718 [0,1,0,1,0,0|1,0,0]=3 19918 B12R1.35 CSCCNC(=O)C1CCCC1 1626a_100020590264_100000210718 [0,1,0,1,0,0|1,0,0]=3 19919 B12R1.35 CSCCNC(=O)C1CCCC1 240690a_100020590264_100000210718 [0,1,0,1,0,0|1,0,0]=3 19920 B12R1.35 CSCCNC(=O)C1CCCC1 527a_100020590264_100000210718 [0,1,0,1,0,0|1,0,0]=3 19921 B12R1.35 CSCCNC(=O)C1CCCS1 11a_100020590264_100012002731 [0,1,0,1,0,0|2,0,0]=4 19922 B12R1.35 CSCCNC(=O)C1CCCS1 1626a_100020590264_100012002731 [0,1,0,1,0,0|2,0,0]=4 19923 B12R1.35 CSCCNC(=O)C1CCCS1 240690a_100020590264_100012002731 [0,1,0,1,0,0|2,0,0]=4 19924 B12R1.35 CSCCNC(=O)C1CCCS1 527a_100020590264_100012002731 [0,1,0,1,0,0|2,0,0]=4 19925 B12R1.35 CSCCNC(=O)C1CCOC1 11a_100020590264_100011219752 [0,1,0,1,0,0|2,0,0]=4 19926 B12R1.35 CSCCNC(=O)C1CCOC1 1626a_100020590264_100011219752 [0,1,0,1,0,0|2,0,0]=4 19927 B12R1.35 CSCCNC(=O)C1CCOC1 240690a_100020590264_100011219752 [0,1,0,1,0,0|2,0,0]=4 19928 B12R1.35 CSCCNC(=O)C1CCOC1 527a_100020590264_100011219752 [0,1,0,1,0,0|2,0,0]=4 19929 B12R1.35 CSCCNC(=O)N1CCCC1 2708a_100020590264_100000188435 [0,1,0,1,0,0|2,0,0]=4 19930 B12R1.35 CSCCNC(=O)N1CCCC1 273464a_100020590264_100000188435 [0,1,0,1,0,0|2,0,0]=4 19931 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 11a_100020590264_100000686382 [0,1,0,1,0,0|2,0,0]=4 19932 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 1626a_100020590264_100000686382 [0,1,0,1,0,0|2,0,0]=4 19933 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 240690a_100020590264_100000686382 [0,1,0,1,0,0|2,0,0]=4 19934 B12R1.35 CSCCNC(=O)[C@@H]1CCCO1 527a_100020590264_100000686382 [0,1,0,1,0,0|2,0,0]=4 19935 B12R1.35 CSCCOC(C)C1CCCC1 34a_100011216366_100000212216 [0,1,0,1,0,0|1,0,1]=4 19936 B12R1.35 CSCCOC(C)C1CCCC1 7a_100011216366_100000212216 [0,1,0,1,0,0|1,0,1]=4 19937 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000075515_100000179811 [0,1,0,1,0,0|1,0,1]=4 19938 B12R1.35 N#CCCCC(=O)C1CCCC1 1458a_100000210718_100000211468 [0,1,0,1,0,0|1,0,1]=4 19939 B12R1.35 N#CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000211468 [0,1,0,1,0,0|1,0,1]=4 19940 B12R1.35 N#CCCNC(=O)C1CCCC1 11a_100000720768_100000210718 [0,1,0,1,0,0|1,0,1]=4 19941 B12R1.35 N#CCCNC(=O)C1CCCC1 1626a_100000720768_100000210718 [0,1,0,1,0,0|1,0,1]=4 19942 B12R1.35 N#CCCNC(=O)C1CCCC1 240690a_100000720768_100000210718 [0,1,0,1,0,0|1,0,1]=4 19943 B12R1.35 N#CCCNC(=O)C1CCCC1 527a_100000720768_100000210718 [0,1,0,1,0,0|1,0,1]=4 19944 B12R1.35 NCCOCC(=O)N1CCCC1 34a_100000210304_100000183516 [0,1,0,1,0,0|2,0,0]=4 19945 B12R1.35 O=C(CCCCF)C1=CCCC1 1458a_100000038896_100000729493 [0,1,0,1,0,0|2,0,0]=4 19946 B12R1.35 O=C(CCCCF)C1CCCC1 1458a_100000210718_100000729493 [0,1,0,1,0,0|1,0,0]=3 19947 B12R1.35 O=C(CCCCF)C1CCCS1 1458a_100012002731_100000729493 [0,1,0,1,0,0|1,1,0]=4 19948 B12R1.35 O=C(CCCCF)C1CCOC1 1458a_100011219752_100000729493 [0,1,0,1,0,0|2,0,0]=4 19949 B12R1.35 O=C(CCCCF)[C@@H]1CCCO1 1458a_100000686382_100000729493 [0,1,0,1,0,0|1,0,0]=3 19950 B12R1.35 O=C(CCCCO)C1=CCCC1 1458a_100000038896_100000210776 [0,1,0,1,0,0|2,0,0]=4 19951 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000210718_100000210776 [0,1,0,1,0,0|1,0,0]=3 19952 B12R1.35 O=C(CCCCO)C1CCCC1 1458a_100000695505_100000179811 [0,1,0,1,0,0|1,0,0]=3 19953 B12R1.35 O=C(CCCCO)C1CCCS1 1458a_100012002731_100000210776 [0,1,0,1,0,0|1,1,0]=4 19954 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100000695505_100000690089 [0,1,0,1,0,0|2,0,0]=4 19955 B12R1.35 O=C(CCCCO)C1CCOC1 1458a_100011219752_100000210776 [0,1,0,1,0,0|2,0,0]=4 19956 B12R1.35 O=C(CCCCO)[C@@H]1CCCO1 1458a_100000686382_100000210776 [0,1,0,1,0,0|1,0,0]=3 19957 B12R1.35 O=C(COCCBr)N1CCCC1 34a_100000211926_100000183516 [0,1,0,1,0,0|2,0,0]=4 19958 B12R1.35 O=C(COCCF)N1CCCC1 7a_200000752455_100011217306 [0,1,0,1,0,0|2,0,0]=4 19959 B12R1.35 O=C(COCCO)C1CCCC1 1458a_100000708028_100000179811 [0,1,0,1,0,0|1,0,0]=3 19960 B12R1.35 O=C(COCCO)C1CCOC1 1458a_100000708028_100000690089 [0,1,0,1,0,0|2,0,0]=4 19961 B12R1.35 O=C(COCCO)N1CCCC1 240690a_100000188435_100000708028 [0,1,0,1,0,0|2,0,0]=4 19962 B12R1.35 O=C(COCCO)N1CCCC1 7a_200000752455_100000211926 [0,1,0,1,0,0|2,0,0]=4 19963 B12R1.35 O=C(NCCCF)C1CCCC1 11a_100015189416_100000210718 [0,1,0,1,0,0|1,0,0]=3 19964 B12R1.35 O=C(NCCCF)C1CCCC1 1626a_100015189416_100000210718 [0,1,0,1,0,0|1,0,0]=3 19965 B12R1.35 O=C(NCCCF)C1CCCC1 240690a_100015189416_100000210718 [0,1,0,1,0,0|1,0,0]=3 19966 B12R1.35 O=C(NCCCF)C1CCCC1 527a_100015189416_100000210718 [0,1,0,1,0,0|1,0,0]=3 19967 B12R1.35 O=C(NCCCF)C1CCCS1 11a_100015189416_100012002731 [0,1,0,1,0,0|2,0,0]=4 19968 B12R1.35 O=C(NCCCF)C1CCCS1 1626a_100015189416_100012002731 [0,1,0,1,0,0|2,0,0]=4 19969 B12R1.35 O=C(NCCCF)C1CCCS1 240690a_100015189416_100012002731 [0,1,0,1,0,0|2,0,0]=4 19970 B12R1.35 O=C(NCCCF)C1CCCS1 527a_100015189416_100012002731 [0,1,0,1,0,0|2,0,0]=4 19971 B12R1.35 O=C(NCCCF)C1CCOC1 11a_100015189416_100011219752 [0,1,0,1,0,0|2,0,0]=4 19972 B12R1.35 O=C(NCCCF)C1CCOC1 1626a_100015189416_100011219752 [0,1,0,1,0,0|2,0,0]=4 19973 B12R1.35 O=C(NCCCF)C1CCOC1 240690a_100015189416_100011219752 [0,1,0,1,0,0|2,0,0]=4 19974 B12R1.35 O=C(NCCCF)C1CCOC1 527a_100015189416_100011219752 [0,1,0,1,0,0|2,0,0]=4 19975 B12R1.35 O=C(NCCCF)N1CCCC1 2708a_100015189416_100000188435 [0,1,0,1,0,0|2,0,0]=4 19976 B12R1.35 O=C(NCCCF)N1CCCC1 273464a_100015189416_100000188435 [0,1,0,1,0,0|2,0,0]=4 19977 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 11a_100015189416_100000686382 [0,1,0,1,0,0|2,0,0]=4 19978 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 1626a_100015189416_100000686382 [0,1,0,1,0,0|2,0,0]=4 19979 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 240690a_100015189416_100000686382 [0,1,0,1,0,0|2,0,0]=4 19980 B12R1.35 O=C(NCCCF)[C@@H]1CCCO1 527a_100015189416_100000686382 [0,1,0,1,0,0|2,0,0]=4 19981 B12R1.35 O=C(NCCCO)C1CCCC1 240690a_100000182051_100000210718 [0,1,0,1,0,0|1,0,0]=3 19982 B12R1.35 O=C(NCCCO)C1CCCC1 527a_100000182051_100000210718 [0,1,0,1,0,0|1,0,0]=3 19983 B12R1.35 O=C(NCCCO)C1CCCS1 240690a_100000182051_100012002731 [0,1,0,1,0,0|2,0,0]=4 19984 B12R1.35 O=C(NCCCO)C1CCCS1 527a_100000182051_100012002731 [0,1,0,1,0,0|2,0,0]=4 19985 B12R1.35 O=C(NCCCO)C1CCOC1 240690a_100000182051_100011219752 [0,1,0,1,0,0|2,0,0]=4 19986 B12R1.35 O=C(NCCCO)C1CCOC1 527a_100000182051_100011219752 [0,1,0,1,0,0|2,0,0]=4 19987 B12R1.35 O=C(NCCCO)N1CCCC1 273464a_100000182051_100000188435 [0,1,0,1,0,0|2,0,0]=4 19988 B12R1.35 O=C(NCCCO)[C@@H]1CCCO1 240690a_100000182051_100000686382 [0,1,0,1,0,0|2,0,0]=4 19989 B12R1.35 O=C(NCCCO)[C@@H]1CCCO1 527a_100000182051_100000686382 [0,1,0,1,0,0|2,0,0]=4 19990 B12R1.35 O=C(NNCCO)C1CCCC1 22a_100000210001_100000210718 [0,1,0,1,0,0|2,0,0]=4 19991 B12R1.455 CCCCCc1nc(no1)CC 270196a_200000212204_100000212188 [0,1,0,1,0,0|1,0,1]=4 19992 B12R1.455 CCCCCc1noc(n1)CC 270196a_200011207956_100000210414 [0,1,0,1,0,0|1,0,1]=4 19993 B12R1.455 CCCNN=C1CCC(C1)CC 4a_100000740057_100011218773 [0,1,0,1,0,0|2,0,0]=4 19994 B12R1.481 C#CCCCC(=O)C1CC1CC 1458a_200011661523_100000731252 [0,1,0,1,0,0|1,0,1]=4 19995 B12R1.481 C#CCCNC(=O)C1CC1CC 11a_100000755551_200011661523 [0,1,0,1,0,0|1,0,1]=4 19996 B12R1.481 C#CCCNC(=O)C1CC1CC 1626a_100000755551_200011661523 [0,1,0,1,0,0|1,0,1]=4 19997 B12R1.481 C#CCCNC(=O)C1CC1CC 240690a_100000755551_200011661523 [0,1,0,1,0,0|1,0,1]=4 19998 B12R1.481 C#CCCNC(=O)C1CC1CC 527a_100000755551_200011661523 [0,1,0,1,0,0|1,0,1]=4 19999 B12R1.481 C=CCCCC(=O)C1CC1CC 1458a_200011661523_100000757094 [0,1,0,1,0,0|1,0,1]=4 20000 B12R1.481 C=CCCNC(=O)C1CC1CC 11a_100015191253_200011661523 [0,1,0,1,0,0|1,0,1]=4 20001 B12R1.481 C=CCCNC(=O)C1CC1CC 1626a_100015191253_200011661523 [0,1,0,1,0,0|1,0,1]=4 20002 B12R1.481 C=CCCNC(=O)C1CC1CC 240690a_100015191253_200011661523 [0,1,0,1,0,0|1,0,1]=4 20003 B12R1.481 C=CCCNC(=O)C1CC1CC 527a_100015191253_200011661523 [0,1,0,1,0,0|1,0,1]=4 20004 B12R1.481 CC#CCNC(=O)C1CC1CC 11a_100000685387_200011661523 [0,1,0,1,0,0|1,0,1]=4 20005 B12R1.481 CC#CCNC(=O)C1CC1CC 1626a_100000685387_200011661523 [0,1,0,1,0,0|1,0,1]=4 20006 B12R1.481 CC#CCNC(=O)C1CC1CC 527a_100000685387_200011661523 [0,1,0,1,0,0|1,0,1]=4 20007 B12R1.481 CC/C=C\CC(=O)C1CC1CC 1458a_200011661523_100103147603 [0,1,0,1,0,0|1,0,1]=4 20008 B12R1.481 CCC#CCC(=O)C1CC1CC 1458a_200011661523_100009813939 [0,1,0,1,0,0|1,0,1]=4 20009 B12R1.481 CCC1CC1C(=O)CCCC#N 1458a_200011661523_100000211468 [0,1,0,1,0,0|1,0,1]=4 20010 B12R1.481 CCC1CC1C(=O)CCCCF 1458a_200011661523_100000729493 [0,1,0,1,0,0|1,0,0]=3 20011 B12R1.481 CCC1CC1C(=O)CCCCO 1458a_200011661523_100000210776 [0,1,0,1,0,0|1,0,0]=3 20012 B12R1.481 CCC1CC1C(=O)CCCOC 1458a_200011661523_100000740836 [0,1,0,1,0,0|1,0,0]=3 20013 B12R1.481 CCC1CC1C(=O)NCCC#N 11a_100000720768_200011661523 [0,1,0,1,0,0|1,0,1]=4 20014 B12R1.481 CCC1CC1C(=O)NCCC#N 1626a_100000720768_200011661523 [0,1,0,1,0,0|1,0,1]=4 20015 B12R1.481 CCC1CC1C(=O)NCCC#N 240690a_100000720768_200011661523 [0,1,0,1,0,0|1,0,1]=4 20016 B12R1.481 CCC1CC1C(=O)NCCC#N 527a_100000720768_200011661523 [0,1,0,1,0,0|1,0,1]=4 20017 B12R1.481 CCC1CC1C(=O)NCCCF 11a_100015189416_200011661523 [0,1,0,1,0,0|1,0,0]=3 20018 B12R1.481 CCC1CC1C(=O)NCCCF 1626a_100015189416_200011661523 [0,1,0,1,0,0|1,0,0]=3 20019 B12R1.481 CCC1CC1C(=O)NCCCF 240690a_100015189416_200011661523 [0,1,0,1,0,0|1,0,0]=3 20020 B12R1.481 CCC1CC1C(=O)NCCCF 527a_100015189416_200011661523 [0,1,0,1,0,0|1,0,0]=3 20021 B12R1.481 CCC1CC1C(=O)NCCCO 240690a_100000182051_200011661523 [0,1,0,1,0,0|1,0,0]=3 20022 B12R1.481 CCC1CC1C(=O)NCCCO 527a_100000182051_200011661523 [0,1,0,1,0,0|1,0,0]=3 20023 B12R1.481 CCC1CC1C(=O)NCCOC 1626a_100000209980_200011661523 [0,1,0,1,0,0|1,0,0]=3 20024 B12R1.481 CCC1CC1C(=O)NCCOC 240690a_100000209980_200011661523 [0,1,0,1,0,0|1,0,0]=3 20025 B12R1.481 CCC1CC1C(=O)NCCOC 527a_100000209980_200011661523 [0,1,0,1,0,0|1,0,0]=3 20026 B12R1.481 CCC1CC1C(=O)NCCSC 11a_100020590264_200011661523 [0,1,0,1,0,0|1,0,0]=3 20027 B12R1.481 CCC1CC1C(=O)NCCSC 1626a_100020590264_200011661523 [0,1,0,1,0,0|1,0,0]=3 20028 B12R1.481 CCC1CC1C(=O)NCCSC 240690a_100020590264_200011661523 [0,1,0,1,0,0|1,0,0]=3 20029 B12R1.481 CCC1CC1C(=O)NCCSC 527a_100020590264_200011661523 [0,1,0,1,0,0|1,0,0]=3 20030 B12R1.481 CCC1CC1C(=O)NNCCO 22a_100000210001_200011661523 [0,1,0,1,0,0|2,0,0]=4 20031 B12R1.481 CCCCCC(=O)C1CC1CC 1458a_200011661523_100000210326 [0,1,0,1,0,0|1,0,0]=3 20032 B12R1.481 CCCCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210326 [0,1,0,1,0,0|1,0,1]=4 20033 B12R1.481 CCCCNC(=O)C1CC1CC 11a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 20034 B12R1.481 CCCCNC(=O)C1CC1CC 1626a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 20035 B12R1.481 CCCCNC(=O)C1CC1CC 240690a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 20036 B12R1.481 CCCCNC(=O)C1CC1CC 527a_100000102301_200011661523 [0,1,0,1,0,0|1,0,0]=3 20037 B12R1.481 CCCNNC(=O)C1CC1CC 22a_100000740057_200011661523 [0,1,0,1,0,0|1,0,0]=3 20038 B12R1.481 CCOCCC(=O)C1CC1CC 1458a_200011661523_100011215890 [0,1,0,1,0,0|1,0,0]=3 20039 B12R1.481 CCSCCC(=O)C1CC1CC 1458a_200011661523_100000757381 [0,1,0,1,0,0|1,0,0]=3 20040 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000690238_100000763275 [0,1,0,1,0,0|1,0,1]=4 20041 B12R1.483 C#CCCCC(=O)CC1CCC1 1458a_100000763092_100000731252 [0,1,0,1,0,0|1,0,1]=4 20042 B12R1.483 C#CCCNC(=O)CC1CCC1 11a_100000755551_100000763092 [0,1,0,1,0,0|1,0,1]=4 20043 B12R1.483 C#CCCNC(=O)CC1CCC1 1626a_100000755551_100000763092 [0,1,0,1,0,0|1,0,1]=4 20044 B12R1.483 C#CCCNC(=O)CC1CCC1 240690a_100000755551_100000763092 [0,1,0,1,0,0|1,0,1]=4 20045 B12R1.483 C#CCCNC(=O)CC1CCC1 527a_100000755551_100000763092 [0,1,0,1,0,0|1,0,1]=4 20046 B12R1.483 C#CCOCC(=O)CC1CCC1 1458a_100011251226_100000763275 [0,1,0,1,0,0|0,0,2]=4 20047 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000763092_100000757094 [0,1,0,1,0,0|1,0,1]=4 20048 B12R1.483 C=CCCCC(=O)CC1CCC1 1458a_100000766728_100000763275 [0,1,0,1,0,0|1,0,1]=4 20049 B12R1.483 C=CCCNC(=O)CC1CCC1 11a_100015191253_100000763092 [0,1,0,1,0,0|1,0,1]=4 20050 B12R1.483 C=CCCNC(=O)CC1CCC1 1626a_100015191253_100000763092 [0,1,0,1,0,0|1,0,1]=4 20051 B12R1.483 C=CCCNC(=O)CC1CCC1 240690a_100015191253_100000763092 [0,1,0,1,0,0|1,0,1]=4 20052 B12R1.483 C=CCCNC(=O)CC1CCC1 527a_100015191253_100000763092 [0,1,0,1,0,0|1,0,1]=4 20053 B12R1.483 CC#CCNC(=O)CC1CCC1 11a_100000685387_100000763092 [0,1,0,1,0,0|1,0,1]=4 20054 B12R1.483 CC#CCNC(=O)CC1CCC1 1626a_100000685387_100000763092 [0,1,0,1,0,0|1,0,1]=4 20055 B12R1.483 CC#CCNC(=O)CC1CCC1 527a_100000685387_100000763092 [0,1,0,1,0,0|1,0,1]=4 20056 B12R1.483 CC/C=C/CC(=O)CC1CCC1 1458a_100016274230_100000763275 [0,1,0,1,0,0|1,0,1]=4 20057 B12R1.483 CC/C=C\CC(=O)CC1CCC1 1458a_100000763092_100103147603 [0,1,0,1,0,0|1,0,1]=4 20058 B12R1.483 CCC#CCC(=O)CC1CCC1 1458a_100000763092_100009813939 [0,1,0,1,0,0|1,0,1]=4 20059 B12R1.483 CCCC#CC(=O)CC1CCC1 1458a_200011218047_100000763275 [0,1,0,1,0,0|1,0,0]=3 20060 B12R1.483 CCCC#CC(=O)CC1CCO1 1458a_200011218047_100000103362 [0,1,0,1,0,0|2,0,0]=4 20061 B12R1.483 CCCC#CC(=O)CC1COC1 1458a_200011218047_100010264016 [0,1,0,1,0,0|2,0,0]=4 20062 B12R1.483 CCCC#CC(=O)NC1CCC1 240690a_100000749019_200011218047 [0,1,0,1,0,0|2,0,0]=4 20063 B12R1.483 CCCC=CC(=O)CC1CCC1 1458a_100000212230_100000763275 [0,1,0,1,0,0|1,0,0]=3 20064 B12R1.483 CCCC=CC(=O)CC1CCO1 1458a_100000212230_100000103362 [0,1,0,1,0,0|2,0,0]=4 20065 B12R1.483 CCCC=CC(=O)CC1COC1 1458a_100000212230_100010264016 [0,1,0,1,0,0|2,0,0]=4 20066 B12R1.483 CCCC=CC(=O)NC1CCC1 11a_100000749019_100000212230 [0,1,0,1,0,0|2,0,0]=4 20067 B12R1.483 CCCC=CC(=O)NC1CCC1 1626a_100000749019_100000212230 [0,1,0,1,0,0|2,0,0]=4 20068 B12R1.483 CCCC=CC(=O)NC1CCC1 240690a_100000749019_100000212230 [0,1,0,1,0,0|2,0,0]=4 20069 B12R1.483 CCCCCC(=O)C=C1CCC1 1458a_100000686340_100000210326 [0,1,0,1,0,0|1,0,0]=3 20070 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000212188_100000763275 [0,1,0,1,0,0|1,0,0]=3 20071 B12R1.483 CCCCCC(=O)CC1CCC1 1458a_100000763092_100000210326 [0,1,0,1,0,0|1,0,0]=3 20072 B12R1.483 CCCCCC(=O)CC1CCO1 1458a_100000212188_100000103362 [0,1,0,1,0,0|1,0,0]=3 20073 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000212188_100010264016 [0,1,0,1,0,0|1,0,0]=3 20074 B12R1.483 CCCCCC(=O)CC1COC1 1458a_100000687760_100000210326 [0,1,0,1,0,0|1,0,0]=3 20075 B12R1.483 CCCCCC(=O)CN1CCC1 269982a_100000754969_200012276598 [0,1,0,1,0,0|1,0,0]=3 20076 B12R1.483 CCCCCC(=O)NC1CCC1 11a_100000749019_100000212188 [0,1,0,1,0,0|1,0,0]=3 20077 B12R1.483 CCCCCC(=O)NC1CCC1 1626a_100000749019_100000212188 [0,1,0,1,0,0|1,0,0]=3 20078 B12R1.483 CCCCCC(=O)NC1CCC1 240690a_100000749019_100000212188 [0,1,0,1,0,0|1,0,0]=3 20079 B12R1.483 CCCCCC(=O)NC1CCC1 527a_100000749019_100000212188 [0,1,0,1,0,0|1,0,0]=3 20080 B12R1.483 CCCCCC(=O)NC1COC1 11a_100016991112_100000212188 [0,1,0,1,0,0|1,0,0]=3 20081 B12R1.483 CCCCCC(=O)NC1COC1 1626a_100016991112_100000212188 [0,1,0,1,0,0|1,0,0]=3 20082 B12R1.483 CCCCCC(=O)NC1COC1 240690a_100016991112_100000212188 [0,1,0,1,0,0|1,0,0]=3 20083 B12R1.483 CCCCCC(=O)NC1COC1 527a_100016991112_100000212188 [0,1,0,1,0,0|1,0,0]=3 20084 B12R1.483 CCCCCC(=O)NC1CSC1 11a_100016994217_100000212188 [0,1,0,1,0,0|1,0,0]=3 20085 B12R1.483 CCCCCC(=O)NC1CSC1 1626a_100016994217_100000212188 [0,1,0,1,0,0|1,0,0]=3 20086 B12R1.483 CCCCCC(=O)NC1CSC1 240690a_100016994217_100000212188 [0,1,0,1,0,0|1,0,0]=3 20087 B12R1.483 CCCCCC(=O)NC1CSC1 527a_100016994217_100000212188 [0,1,0,1,0,0|1,0,0]=3 20088 B12R1.483 CCCCCC(C)OC1CCC1 34a_100000748187_200011218191 [0,1,0,1,0,0|1,0,1]=4 20089 B12R1.483 CCCCCC(C)OC1CCC1 34a_100011215632_100000749161 [0,1,0,1,0,0|1,0,1]=4 20090 B12R1.483 CCCCCC(C)OC1COC1 34a_100011215632_100009818527 [0,1,0,1,0,0|1,0,1]=4 20091 B12R1.483 CCCCCC(C)OC1COC1 7a_100011215632_100009818527 [0,1,0,1,0,0|1,0,1]=4 20092 B12R1.483 CCCCCC(C)OC1CSC1 7a_100000072292_200011218191 [0,1,0,1,0,0|1,0,1]=4 20093 B12R1.483 CCCCNC(=O)C=C1CCC1 11a_100000102301_100000686340 [0,1,0,1,0,0|2,0,0]=4 20094 B12R1.483 CCCCNC(=O)C=C1CCC1 240690a_100000102301_100000686340 [0,1,0,1,0,0|2,0,0]=4 20095 B12R1.483 CCCCNC(=O)CC1CCC1 11a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 20096 B12R1.483 CCCCNC(=O)CC1CCC1 1626a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 20097 B12R1.483 CCCCNC(=O)CC1CCC1 240690a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 20098 B12R1.483 CCCCNC(=O)CC1CCC1 527a_100000102301_100000763092 [0,1,0,1,0,0|1,0,0]=3 20099 B12R1.483 CCCCNC(=O)CC1COC1 11a_100000102301_100000687760 [0,1,0,1,0,0|2,0,0]=4 20100 B12R1.483 CCCCNC(=O)CC1COC1 1626a_100000102301_100000687760 [0,1,0,1,0,0|2,0,0]=4 20101 B12R1.483 CCCCNC(=O)CN1CCC1 269982a_100000754969_100000182744 [0,1,0,1,0,0|2,0,0]=4 20102 B12R1.483 CCCCNC(=O)NC1CCC1 2708a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 20103 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 20104 B12R1.483 CCCCNC(=O)NC1CCC1 273464a_100000749019_100000102301 [0,1,0,1,0,0|2,0,0]=4 20105 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000102301_100000749019 [0,1,0,1,0,0|2,0,0]=4 20106 B12R1.483 CCCCNC(=O)NC1CCC1 512a_100000749019_100000102301 [0,1,0,1,0,0|2,0,0]=4 20107 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 20108 B12R1.483 CCCCNC(=O)NC1COC1 2708a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 20109 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 20110 B12R1.483 CCCCNC(=O)NC1COC1 273464a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 20111 B12R1.483 CCCCNC(=O)NC1COC1 512a_100000102301_100016991112 [0,1,0,1,0,0|2,0,0]=4 20112 B12R1.483 CCCCNC(=O)NC1COC1 512a_100016991112_100000102301 [0,1,0,1,0,0|2,0,0]=4 20113 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 20114 B12R1.483 CCCCNC(=O)NC1CSC1 2708a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 20115 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 20116 B12R1.483 CCCCNC(=O)NC1CSC1 273464a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 20117 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100000102301_100016994217 [0,1,0,1,0,0|2,0,0]=4 20118 B12R1.483 CCCCNC(=O)NC1CSC1 512a_100016994217_100000102301 [0,1,0,1,0,0|2,0,0]=4 20119 B12R1.483 CCCCOC(=O)CN1CCC1 269982a_100000754969_100000211628 [0,1,0,1,0,0|1,0,0]=3 20120 B12R1.483 CCCNNC(=O)CC1CCC1 22a_100000740057_100000763092 [0,1,0,1,0,0|1,0,0]=3 20121 B12R1.483 CCCNNC(=O)CC1COC1 22a_100000740057_100000687760 [0,1,0,1,0,0|2,0,0]=4 20122 B12R1.483 CCCNNC(=O)NC1CCC1 273464a_100000749019_100000740057 [0,1,0,1,0,0|2,0,0]=4 20123 B12R1.483 CCCNNC(=O)NC1CCC1 512a_100000740057_100000749019 [0,1,0,1,0,0|2,0,0]=4 20124 B12R1.483 CCCNNC(=O)NC1CCC1 512a_100000749019_100000740057 [0,1,0,1,0,0|2,0,0]=4 20125 B12R1.483 CCCOCC(=O)CC1CCC1 1458a_100000745993_100000763275 [0,1,0,1,0,0|0,0,0]=2 20126 B12R1.483 CCCOCC(=O)CC1CCO1 1458a_100000745993_100000103362 [0,1,0,1,0,0|1,0,0]=3 20127 B12R1.483 CCCOCC(=O)CC1COC1 1458a_100000745993_100010264016 [0,1,0,1,0,0|1,0,0]=3 20128 B12R1.483 CCCOCC(=O)NC1CCC1 11a_100000749019_100000745993 [0,1,0,1,0,0|1,0,0]=3 20129 B12R1.483 CCCOCC(=O)NC1CCC1 1626a_100000749019_100000745993 [0,1,0,1,0,0|1,0,0]=3 20130 B12R1.483 CCCOCC(=O)NC1CCC1 240690a_100000749019_100000745993 [0,1,0,1,0,0|1,0,0]=3 20131 B12R1.483 CCCOCC(=O)NC1CCC1 527a_100000749019_100000745993 [0,1,0,1,0,0|1,0,0]=3 20132 B12R1.483 CCCOCC(=O)NC1COC1 11a_100016991112_100000745993 [0,1,0,1,0,0|2,0,0]=4 20133 B12R1.483 CCCOCC(=O)NC1COC1 1626a_100016991112_100000745993 [0,1,0,1,0,0|2,0,0]=4 20134 B12R1.483 CCCOCC(=O)NC1COC1 240690a_100016991112_100000745993 [0,1,0,1,0,0|2,0,0]=4 20135 B12R1.483 CCCOCC(=O)NC1COC1 527a_100016991112_100000745993 [0,1,0,1,0,0|2,0,0]=4 20136 B12R1.483 CCCOCC(=O)NC1CSC1 11a_100016994217_100000745993 [0,1,0,1,0,0|2,0,0]=4 20137 B12R1.483 CCCOCC(=O)NC1CSC1 1626a_100016994217_100000745993 [0,1,0,1,0,0|2,0,0]=4 20138 B12R1.483 CCCOCC(=O)NC1CSC1 240690a_100016994217_100000745993 [0,1,0,1,0,0|2,0,0]=4 20139 B12R1.483 CCCOCC(=O)NC1CSC1 527a_100016994217_100000745993 [0,1,0,1,0,0|2,0,0]=4 20140 B12R1.483 CCCSCC(=O)CC1CCC1 1458a_100000217233_100000763275 [0,1,0,1,0,0|0,1,0]=3 20141 B12R1.483 CCCSCC(=O)CC1CCO1 1458a_100000217233_100000103362 [0,1,0,1,0,0|1,1,0]=4 20142 B12R1.483 CCCSCC(=O)CC1COC1 1458a_100000217233_100010264016 [0,1,0,1,0,0|1,1,0]=4 20143 B12R1.483 CCCSCC(=O)NC1CCC1 11a_100000749019_100000217233 [0,1,0,1,0,0|1,1,0]=4 20144 B12R1.483 CCCSCC(=O)NC1CCC1 1626a_100000749019_100000217233 [0,1,0,1,0,0|1,1,0]=4 20145 B12R1.483 CCCSCC(=O)NC1CCC1 240690a_100000749019_100000217233 [0,1,0,1,0,0|1,1,0]=4 20146 B12R1.483 CCCSCC(=O)NC1CCC1 527a_100000749019_100000217233 [0,1,0,1,0,0|1,1,0]=4 20147 B12R1.483 CCCSCC(=O)NC1COC1 11a_100016991112_100000217233 [0,1,0,1,0,0|2,0,0]=4 20148 B12R1.483 CCCSCC(=O)NC1COC1 1626a_100016991112_100000217233 [0,1,0,1,0,0|2,0,0]=4 20149 B12R1.483 CCCSCC(=O)NC1COC1 240690a_100016991112_100000217233 [0,1,0,1,0,0|2,0,0]=4 20150 B12R1.483 CCCSCC(=O)NC1COC1 527a_100016991112_100000217233 [0,1,0,1,0,0|2,0,0]=4 20151 B12R1.483 CCCSCC(=O)NC1CSC1 11a_100016994217_100000217233 [0,1,0,1,0,0|2,0,0]=4 20152 B12R1.483 CCCSCC(=O)NC1CSC1 1626a_100016994217_100000217233 [0,1,0,1,0,0|2,0,0]=4 20153 B12R1.483 CCCSCC(=O)NC1CSC1 240690a_100016994217_100000217233 [0,1,0,1,0,0|2,0,0]=4 20154 B12R1.483 CCCSCC(=O)NC1CSC1 527a_100016994217_100000217233 [0,1,0,1,0,0|2,0,0]=4 20155 B12R1.483 CCOC=CC(=O)CC1CCC1 1458a_100016266692_100000763275 [0,1,0,1,0,0|1,0,1]=4 20156 B12R1.483 CCOCCC(=O)C=C1CCC1 1458a_100000686340_100011215890 [0,1,0,1,0,0|2,0,0]=4 20157 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000749530_100000763275 [0,1,0,1,0,0|1,0,0]=3 20158 B12R1.483 CCOCCC(=O)CC1CCC1 1458a_100000763092_100011215890 [0,1,0,1,0,0|1,0,0]=3 20159 B12R1.483 CCOCCC(=O)CC1CCO1 1458a_100000749530_100000103362 [0,1,0,1,0,0|2,0,0]=4 20160 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000687760_100011215890 [0,1,0,1,0,0|2,0,0]=4 20161 B12R1.483 CCOCCC(=O)CC1COC1 1458a_100000749530_100010264016 [0,1,0,1,0,0|2,0,0]=4 20162 B12R1.483 CCOCCC(=O)NC1CCC1 11a_100000749019_100000749530 [0,1,0,1,0,0|2,0,0]=4 20163 B12R1.483 CCOCCC(=O)NC1CCC1 1626a_100000749019_100000749530 [0,1,0,1,0,0|2,0,0]=4 20164 B12R1.483 CCOCCC(=O)NC1CCC1 240690a_100000749019_100000749530 [0,1,0,1,0,0|2,0,0]=4 20165 B12R1.483 CCOCCC(=O)NC1CCC1 527a_100000749019_100000749530 [0,1,0,1,0,0|2,0,0]=4 20166 B12R1.483 CCOCCC(=O)NC1COC1 11a_100016991112_100000749530 [0,1,0,1,0,0|2,0,0]=4 20167 B12R1.483 CCOCCC(=O)NC1COC1 1626a_100016991112_100000749530 [0,1,0,1,0,0|2,0,0]=4 20168 B12R1.483 CCOCCC(=O)NC1COC1 240690a_100016991112_100000749530 [0,1,0,1,0,0|2,0,0]=4 20169 B12R1.483 CCOCCC(=O)NC1COC1 527a_100016991112_100000749530 [0,1,0,1,0,0|2,0,0]=4 20170 B12R1.483 CCOCCC(=O)NC1CSC1 11a_100016994217_100000749530 [0,1,0,1,0,0|2,0,0]=4 20171 B12R1.483 CCOCCC(=O)NC1CSC1 1626a_100016994217_100000749530 [0,1,0,1,0,0|2,0,0]=4 20172 B12R1.483 CCOCCC(=O)NC1CSC1 240690a_100016994217_100000749530 [0,1,0,1,0,0|2,0,0]=4 20173 B12R1.483 CCOCCC(=O)NC1CSC1 527a_100016994217_100000749530 [0,1,0,1,0,0|2,0,0]=4 20174 B12R1.483 CCSCCC(=O)C=C1CCC1 1458a_100000686340_100000757381 [0,1,0,1,0,0|2,0,0]=4 20175 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000230768_100000763275 [0,1,0,1,0,0|1,0,0]=3 20176 B12R1.483 CCSCCC(=O)CC1CCC1 1458a_100000763092_100000757381 [0,1,0,1,0,0|1,0,0]=3 20177 B12R1.483 CCSCCC(=O)CC1CCO1 1458a_100000230768_100000103362 [0,1,0,1,0,0|2,0,0]=4 20178 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000230768_100010264016 [0,1,0,1,0,0|2,0,0]=4 20179 B12R1.483 CCSCCC(=O)CC1COC1 1458a_100000687760_100000757381 [0,1,0,1,0,0|2,0,0]=4 20180 B12R1.483 CCSCCC(=O)NC1CCC1 11a_100000749019_100000230768 [0,1,0,1,0,0|2,0,0]=4 20181 B12R1.483 CCSCCC(=O)NC1CCC1 1626a_100000749019_100000230768 [0,1,0,1,0,0|2,0,0]=4 20182 B12R1.483 CCSCCC(=O)NC1CCC1 240690a_100000749019_100000230768 [0,1,0,1,0,0|2,0,0]=4 20183 B12R1.483 CCSCCC(=O)NC1CCC1 527a_100000749019_100000230768 [0,1,0,1,0,0|2,0,0]=4 20184 B12R1.483 CCSCCC(=O)NC1COC1 11a_100016991112_100000230768 [0,1,0,1,0,0|2,0,0]=4 20185 B12R1.483 CCSCCC(=O)NC1COC1 1626a_100016991112_100000230768 [0,1,0,1,0,0|2,0,0]=4 20186 B12R1.483 CCSCCC(=O)NC1COC1 240690a_100016991112_100000230768 [0,1,0,1,0,0|2,0,0]=4 20187 B12R1.483 CCSCCC(=O)NC1COC1 527a_100016991112_100000230768 [0,1,0,1,0,0|2,0,0]=4 20188 B12R1.483 CCSCCC(=O)NC1CSC1 11a_100016994217_100000230768 [0,1,0,1,0,0|2,0,0]=4 20189 B12R1.483 CCSCCC(=O)NC1CSC1 1626a_100016994217_100000230768 [0,1,0,1,0,0|2,0,0]=4 20190 B12R1.483 CCSCCC(=O)NC1CSC1 240690a_100016994217_100000230768 [0,1,0,1,0,0|2,0,0]=4 20191 B12R1.483 CCSCCC(=O)NC1CSC1 527a_100016994217_100000230768 [0,1,0,1,0,0|2,0,0]=4 20192 B12R1.483 COCC=CC(=O)CC1CCC1 1458a_100016285016_100000763275 [0,1,0,1,0,0|1,0,1]=4 20193 B12R1.483 COCCCC(=O)C=C1CCC1 1458a_100000686340_100000740836 [0,1,0,1,0,0|2,0,0]=4 20194 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000741012_100000763275 [0,1,0,1,0,0|1,0,0]=3 20195 B12R1.483 COCCCC(=O)CC1CCC1 1458a_100000763092_100000740836 [0,1,0,1,0,0|1,0,0]=3 20196 B12R1.483 COCCCC(=O)CC1CCO1 1458a_100000741012_100000103362 [0,1,0,1,0,0|2,0,0]=4 20197 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000687760_100000740836 [0,1,0,1,0,0|2,0,0]=4 20198 B12R1.483 COCCCC(=O)CC1COC1 1458a_100000741012_100010264016 [0,1,0,1,0,0|2,0,0]=4 20199 B12R1.483 COCCCC(=O)NC1CCC1 11a_100000749019_100000741012 [0,1,0,1,0,0|2,0,0]=4 20200 B12R1.483 COCCCC(=O)NC1CCC1 1626a_100000749019_100000741012 [0,1,0,1,0,0|2,0,0]=4 20201 B12R1.483 COCCCC(=O)NC1CCC1 240690a_100000749019_100000741012 [0,1,0,1,0,0|2,0,0]=4 20202 B12R1.483 COCCCC(=O)NC1CCC1 527a_100000749019_100000741012 [0,1,0,1,0,0|2,0,0]=4 20203 B12R1.483 COCCCC(=O)NC1COC1 11a_100016991112_100000741012 [0,1,0,1,0,0|2,0,0]=4 20204 B12R1.483 COCCCC(=O)NC1COC1 1626a_100016991112_100000741012 [0,1,0,1,0,0|2,0,0]=4 20205 B12R1.483 COCCCC(=O)NC1COC1 240690a_100016991112_100000741012 [0,1,0,1,0,0|2,0,0]=4 20206 B12R1.483 COCCCC(=O)NC1COC1 527a_100016991112_100000741012 [0,1,0,1,0,0|2,0,0]=4 20207 B12R1.483 COCCCC(=O)NC1CSC1 11a_100016994217_100000741012 [0,1,0,1,0,0|2,0,0]=4 20208 B12R1.483 COCCCC(=O)NC1CSC1 1626a_100016994217_100000741012 [0,1,0,1,0,0|2,0,0]=4 20209 B12R1.483 COCCCC(=O)NC1CSC1 240690a_100016994217_100000741012 [0,1,0,1,0,0|2,0,0]=4 20210 B12R1.483 COCCCC(=O)NC1CSC1 527a_100016994217_100000741012 [0,1,0,1,0,0|2,0,0]=4 20211 B12R1.483 COCCNC(=O)CC1CCC1 1626a_100000209980_100000763092 [0,1,0,1,0,0|1,0,0]=3 20212 B12R1.483 COCCNC(=O)CC1CCC1 240690a_100000209980_100000763092 [0,1,0,1,0,0|1,0,0]=3 20213 B12R1.483 COCCNC(=O)CC1CCC1 527a_100000209980_100000763092 [0,1,0,1,0,0|1,0,0]=3 20214 B12R1.483 COCCNC(=O)CC1COC1 1626a_100000209980_100000687760 [0,1,0,1,0,0|2,0,0]=4 20215 B12R1.483 COCCNC(=O)CN1CCC1 269982a_100000754969_100000183275 [0,1,0,1,0,0|2,0,0]=4 20216 B12R1.483 COCCNC(=O)NC1CCC1 273464a_100000209980_100000749019 [0,1,0,1,0,0|2,0,0]=4 20217 B12R1.483 COCCNC(=O)NC1CCC1 273464a_100000749019_100000209980 [0,1,0,1,0,0|2,0,0]=4 20218 B12R1.483 COCCOC(=O)CN1CCC1 269982a_100000754969_200000040189 [0,1,0,1,0,0|1,0,0]=3 20219 B12R1.483 CSCCCC(=O)CC1CCC1 1458a_100000173376_100000763275 [0,1,0,1,0,0|1,0,0]=3 20220 B12R1.483 CSCCCC(=O)CC1CCO1 1458a_100000173376_100000103362 [0,1,0,1,0,0|2,0,0]=4 20221 B12R1.483 CSCCCC(=O)CC1COC1 1458a_100000173376_100010264016 [0,1,0,1,0,0|2,0,0]=4 20222 B12R1.483 CSCCCC(=O)NC1CCC1 11a_100000749019_100000173376 [0,1,0,1,0,0|2,0,0]=4 20223 B12R1.483 CSCCCC(=O)NC1CCC1 1626a_100000749019_100000173376 [0,1,0,1,0,0|2,0,0]=4 20224 B12R1.483 CSCCCC(=O)NC1CCC1 240690a_100000749019_100000173376 [0,1,0,1,0,0|2,0,0]=4 20225 B12R1.483 CSCCCC(=O)NC1CCC1 527a_100000749019_100000173376 [0,1,0,1,0,0|2,0,0]=4 20226 B12R1.483 CSCCCC(=O)NC1COC1 11a_100016991112_100000173376 [0,1,0,1,0,0|2,0,0]=4 20227 B12R1.483 CSCCCC(=O)NC1COC1 1626a_100016991112_100000173376 [0,1,0,1,0,0|2,0,0]=4 20228 B12R1.483 CSCCCC(=O)NC1COC1 240690a_100016991112_100000173376 [0,1,0,1,0,0|2,0,0]=4 20229 B12R1.483 CSCCCC(=O)NC1COC1 527a_100016991112_100000173376 [0,1,0,1,0,0|2,0,0]=4 20230 B12R1.483 CSCCCC(=O)NC1CSC1 11a_100016994217_100000173376 [0,1,0,1,0,0|2,0,0]=4 20231 B12R1.483 CSCCCC(=O)NC1CSC1 1626a_100016994217_100000173376 [0,1,0,1,0,0|2,0,0]=4 20232 B12R1.483 CSCCCC(=O)NC1CSC1 240690a_100016994217_100000173376 [0,1,0,1,0,0|2,0,0]=4 20233 B12R1.483 CSCCCC(=O)NC1CSC1 527a_100016994217_100000173376 [0,1,0,1,0,0|2,0,0]=4 20234 B12R1.483 CSCCNC(=O)CC1CCC1 11a_100020590264_100000763092 [0,1,0,1,0,0|1,0,0]=3 20235 B12R1.483 CSCCNC(=O)CC1CCC1 1626a_100020590264_100000763092 [0,1,0,1,0,0|1,0,0]=3 20236 B12R1.483 CSCCNC(=O)CC1CCC1 240690a_100020590264_100000763092 [0,1,0,1,0,0|1,0,0]=3 20237 B12R1.483 CSCCNC(=O)CC1CCC1 527a_100020590264_100000763092 [0,1,0,1,0,0|1,0,0]=3 20238 B12R1.483 CSCCNC(=O)CC1COC1 11a_100020590264_100000687760 [0,1,0,1,0,0|2,0,0]=4 20239 B12R1.483 CSCCNC(=O)CC1COC1 1626a_100020590264_100000687760 [0,1,0,1,0,0|2,0,0]=4 20240 B12R1.483 CSCCNC(=O)NC1CCC1 2708a_100020590264_100000749019 [0,1,0,1,0,0|2,0,0]=4 20241 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100000749019_100020590264 [0,1,0,1,0,0|2,0,0]=4 20242 B12R1.483 CSCCNC(=O)NC1CCC1 273464a_100020590264_100000749019 [0,1,0,1,0,0|2,0,0]=4 20243 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100000749019_100020590264 [0,1,0,1,0,0|2,0,0]=4 20244 B12R1.483 CSCCNC(=O)NC1CCC1 512a_100020590264_100000749019 [0,1,0,1,0,0|2,0,0]=4 20245 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000075515_100000763275 [0,1,0,1,0,0|1,0,1]=4 20246 B12R1.483 N#CCCCC(=O)CC1CCC1 1458a_100000763092_100000211468 [0,1,0,1,0,0|1,0,1]=4 20247 B12R1.483 N#CCCNC(=O)CC1CCC1 11a_100000720768_100000763092 [0,1,0,1,0,0|1,0,1]=4 20248 B12R1.483 N#CCCNC(=O)CC1CCC1 1626a_100000720768_100000763092 [0,1,0,1,0,0|1,0,1]=4 20249 B12R1.483 N#CCCNC(=O)CC1CCC1 240690a_100000720768_100000763092 [0,1,0,1,0,0|1,0,1]=4 20250 B12R1.483 N#CCCNC(=O)CC1CCC1 527a_100000720768_100000763092 [0,1,0,1,0,0|1,0,1]=4 20251 B12R1.483 O=C(C=C1CCC1)CCCCF 1458a_100000686340_100000729493 [0,1,0,1,0,0|2,0,0]=4 20252 B12R1.483 O=C(C=C1CCC1)CCCCO 1458a_100000686340_100000210776 [0,1,0,1,0,0|2,0,0]=4 20253 B12R1.483 O=C(CC1CCC1)NCCCF 11a_100015189416_100000763092 [0,1,0,1,0,0|1,0,0]=3 20254 B12R1.483 O=C(CC1CCC1)NCCCF 1626a_100015189416_100000763092 [0,1,0,1,0,0|1,0,0]=3 20255 B12R1.483 O=C(CC1CCC1)NCCCF 240690a_100015189416_100000763092 [0,1,0,1,0,0|1,0,0]=3 20256 B12R1.483 O=C(CC1CCC1)NCCCF 527a_100015189416_100000763092 [0,1,0,1,0,0|1,0,0]=3 20257 B12R1.483 O=C(CC1CCC1)NCCCO 240690a_100000182051_100000763092 [0,1,0,1,0,0|1,0,0]=3 20258 B12R1.483 O=C(CC1CCC1)NCCCO 527a_100000182051_100000763092 [0,1,0,1,0,0|1,0,0]=3 20259 B12R1.483 O=C(CC1CCC1)NNCCO 22a_100000210001_100000763092 [0,1,0,1,0,0|2,0,0]=4 20260 B12R1.483 O=C(CC1COC1)NCCCF 11a_100015189416_100000687760 [0,1,0,1,0,0|2,0,0]=4 20261 B12R1.483 O=C(CC1COC1)NCCCF 1626a_100015189416_100000687760 [0,1,0,1,0,0|2,0,0]=4 20262 B12R1.483 O=C(CCCCF)CC1CCC1 1458a_100000763092_100000729493 [0,1,0,1,0,0|1,0,0]=3 20263 B12R1.483 O=C(CCCCF)CC1COC1 1458a_100000687760_100000729493 [0,1,0,1,0,0|2,0,0]=4 20264 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000695505_100000763275 [0,1,0,1,0,0|1,0,0]=3 20265 B12R1.483 O=C(CCCCO)CC1CCC1 1458a_100000763092_100000210776 [0,1,0,1,0,0|1,0,0]=3 20266 B12R1.483 O=C(CCCCO)CC1CCO1 1458a_100000695505_100000103362 [0,1,0,1,0,0|2,0,0]=4 20267 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000687760_100000210776 [0,1,0,1,0,0|2,0,0]=4 20268 B12R1.483 O=C(CCCCO)CC1COC1 1458a_100000695505_100010264016 [0,1,0,1,0,0|2,0,0]=4 20269 B12R1.483 O=C(CCCCO)NC1CCC1 1626a_100000749019_100000695505 [0,1,0,1,0,0|2,0,0]=4 20270 B12R1.483 O=C(CCCCO)NC1COC1 1626a_100016991112_100000695505 [0,1,0,1,0,0|2,0,0]=4 20271 B12R1.483 O=C(CCCCO)NC1CSC1 1626a_100016994217_100000695505 [0,1,0,1,0,0|2,0,0]=4 20272 B12R1.483 O=C(COCCO)CC1CCC1 1458a_100000708028_100000763275 [0,1,0,1,0,0|1,0,0]=3 20273 B12R1.483 O=C(COCCO)CC1CCO1 1458a_100000708028_100000103362 [0,1,0,1,0,0|2,0,0]=4 20274 B12R1.483 O=C(COCCO)CC1COC1 1458a_100000708028_100010264016 [0,1,0,1,0,0|2,0,0]=4 20275 B12R1.483 O=C(COCCO)NC1CCC1 1626a_100000749019_100000708028 [0,1,0,1,0,0|2,0,0]=4 20276 B12R1.483 O=C(COCCO)NC1CCC1 240690a_100000749019_100000708028 [0,1,0,1,0,0|2,0,0]=4 20277 B12R1.483 O=C(NCCCF)NC1CCC1 2708a_100015189416_100000749019 [0,1,0,1,0,0|2,0,0]=4 20278 B12R1.483 O=C(NCCCF)NC1CCC1 273464a_100000749019_100015189416 [0,1,0,1,0,0|2,0,0]=4 20279 B12R1.483 O=C(NCCCF)NC1CCC1 273464a_100015189416_100000749019 [0,1,0,1,0,0|2,0,0]=4 20280 B12R1.483 O=C(NCCCF)NC1CCC1 512a_100000749019_100015189416 [0,1,0,1,0,0|2,0,0]=4 20281 B12R1.483 O=C(NCCCF)NC1CCC1 512a_100015189416_100000749019 [0,1,0,1,0,0|2,0,0]=4 20282 B12R1.483 O=C(NCCCO)NC1CCC1 273464a_100000182051_100000749019 [0,1,0,1,0,0|2,0,0]=4 20283 B12R1.483 O=C(NCCCO)NC1CCC1 273464a_100000749019_100000182051 [0,1,0,1,0,0|2,0,0]=4 20284 B12R1.483 O=C(NCCCO)NC1CCC1 512a_100000749019_100000182051 [0,1,0,1,0,0|2,0,0]=4 20285 B12R1.485 CC1CCN1C(=O)COCCO 240690a_100000755817_100000708028 [0,1,0,1,0,0|2,0,0]=4 20286 B12R1.485 CC1CCN1C(=O)NCCCF 2708a_100015189416_100000755817 [0,1,0,1,0,0|2,0,0]=4 20287 B12R1.485 CC1CCN1C(=O)NCCCF 273464a_100015189416_100000755817 [0,1,0,1,0,0|2,0,0]=4 20288 B12R1.485 CC1CCN1C(=O)NCCCO 273464a_100000182051_100000755817 [0,1,0,1,0,0|2,0,0]=4 20289 B12R1.485 CCCC#CC(=O)N1CCC1C 240690a_100000755817_200011218047 [0,1,0,1,0,0|2,0,0]=4 20290 B12R1.485 CCCC=CC(=O)N1CCC1C 11a_100000755817_100000212230 [0,1,0,1,0,0|2,0,0]=4 20291 B12R1.485 CCCC=CC(=O)N1CCC1C 240690a_100000755817_100000212230 [0,1,0,1,0,0|2,0,0]=4 20292 B12R1.485 CCCCCC(=O)C1CCC1=O 1458a_100000212188_100009892977 [0,1,0,1,0,0|1,0,1]=4 20293 B12R1.485 CCCCCC(=O)N1CCC1C 11a_100000755817_100000212188 [0,1,0,1,0,0|1,0,0]=3 20294 B12R1.485 CCCCCC(=O)N1CCC1C 240690a_100000755817_100000212188 [0,1,0,1,0,0|1,0,0]=3 20295 B12R1.485 CCCCCC(=O)N1CCC1C 527a_100000755817_100000212188 [0,1,0,1,0,0|1,0,0]=3 20296 B12R1.485 CCCCNC(=O)N1CCC1C 2708a_100000102301_100000755817 [0,1,0,1,0,0|2,0,0]=4 20297 B12R1.485 CCCCNC(=O)N1CCC1C 273464a_100000102301_100000755817 [0,1,0,1,0,0|2,0,0]=4 20298 B12R1.485 CCCOCC(=O)C1CCC1=O 1458a_100000745993_100009892977 [0,1,0,1,0,0|1,0,1]=4 20299 B12R1.485 CCCOCC(=O)N1CCC1C 11a_100000755817_100000745993 [0,1,0,1,0,0|1,0,0]=3 20300 B12R1.485 CCCOCC(=O)N1CCC1C 240690a_100000755817_100000745993 [0,1,0,1,0,0|1,0,0]=3 20301 B12R1.485 CCCOCC(=O)N1CCC1C 527a_100000755817_100000745993 [0,1,0,1,0,0|1,0,0]=3 20302 B12R1.485 CCCSCC(=O)N1CCC1C 11a_100000755817_100000217233 [0,1,0,1,0,0|1,1,0]=4 20303 B12R1.485 CCCSCC(=O)N1CCC1C 240690a_100000755817_100000217233 [0,1,0,1,0,0|1,1,0]=4 20304 B12R1.485 CCCSCC(=O)N1CCC1C 527a_100000755817_100000217233 [0,1,0,1,0,0|1,1,0]=4 20305 B12R1.485 CCOCCC(=O)N1CCC1C 11a_100000755817_100000749530 [0,1,0,1,0,0|2,0,0]=4 20306 B12R1.485 CCOCCC(=O)N1CCC1C 240690a_100000755817_100000749530 [0,1,0,1,0,0|2,0,0]=4 20307 B12R1.485 CCOCCC(=O)N1CCC1C 527a_100000755817_100000749530 [0,1,0,1,0,0|2,0,0]=4 20308 B12R1.485 CCSCCC(=O)N1CCC1C 11a_100000755817_100000230768 [0,1,0,1,0,0|2,0,0]=4 20309 B12R1.485 CCSCCC(=O)N1CCC1C 240690a_100000755817_100000230768 [0,1,0,1,0,0|2,0,0]=4 20310 B12R1.485 CCSCCC(=O)N1CCC1C 527a_100000755817_100000230768 [0,1,0,1,0,0|2,0,0]=4 20311 B12R1.485 COCCCC(=O)N1CCC1C 11a_100000755817_100000741012 [0,1,0,1,0,0|2,0,0]=4 20312 B12R1.485 COCCCC(=O)N1CCC1C 240690a_100000755817_100000741012 [0,1,0,1,0,0|2,0,0]=4 20313 B12R1.485 COCCCC(=O)N1CCC1C 527a_100000755817_100000741012 [0,1,0,1,0,0|2,0,0]=4 20314 B12R1.485 COCCNC(=O)N1CCC1C 273464a_100000209980_100000755817 [0,1,0,1,0,0|2,0,0]=4 20315 B12R1.485 CSCCCC(=O)N1CCC1C 11a_100000755817_100000173376 [0,1,0,1,0,0|2,0,0]=4 20316 B12R1.485 CSCCCC(=O)N1CCC1C 240690a_100000755817_100000173376 [0,1,0,1,0,0|2,0,0]=4 20317 B12R1.485 CSCCCC(=O)N1CCC1C 527a_100000755817_100000173376 [0,1,0,1,0,0|2,0,0]=4 20318 B12R1.485 CSCCNC(=O)N1CCC1C 2708a_100020590264_100000755817 [0,1,0,1,0,0|2,0,0]=4 20319 B12R1.485 CSCCNC(=O)N1CCC1C 273464a_100020590264_100000755817 [0,1,0,1,0,0|2,0,0]=4 20320 B12R1.1414 BrCCCOC1CCCCCC1 34a_100011217188_100011217769 [0,1,0,1,0,0|1,0,1]=4 20321 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210227_100011217769 [0,1,0,1,0,0|1,0,1]=4 20322 B12R1.1414 CCCCOC1CCCCCC1 34a_100000210887_100000210210 [0,1,0,1,0,0|1,0,1]=4 20323 B12R1.1414 CCCCOC1CCCCCC1 7a_100000210887_100000210211 [0,1,0,1,0,0|1,0,1]=4 20324 B12R1.1414 CCCNN=C1CCCCCC1 4a_100000740057_100000210131 [0,1,0,1,0,0|2,0,0]=4 20325 B12R1.1414 CCCOCC1CCCCCC1 34a_100000210258_200000696569 [0,1,0,1,0,0|1,0,1]=4 20326 B12R1.1414 CCCOCC1CCCCCC1 34a_100000699130_100000210303 [0,1,0,1,0,0|1,0,1]=4 20327 B12R1.1414 CCCOCC1CCCCCC1 7a_100000699130_100000210303 [0,1,0,1,0,0|1,0,1]=4 20328 B12R1.1414 COCCOC1CCCCCC1 34a_100000210237_100011217769 [0,1,0,1,0,0|1,0,1]=4 20329 B12R1.1414 COCCOC1CCCCCC1 34a_100000210887_100011201679 [0,1,0,1,0,0|1,0,1]=4 20330 B12R1.1414 COCCOC1CCCCCC1 7a_100000210887_100000233755 [0,1,0,1,0,0|1,0,1]=4 20331 B12R1.1414 CSCCOC1CCCCCC1 34a_100000210887_100000212216 [0,1,0,1,0,0|1,0,1]=4 20332 B12R1.1414 CSCCOC1CCCCCC1 34a_100000230434_100011217769 [0,1,0,1,0,0|1,0,1]=4 20333 B12R1.1414 CSCCOC1CCCCCC1 7a_100000210887_100000212216 [0,1,0,1,0,0|1,0,1]=4 20334 B12R1.1414 ClCCCOC1CCCCCC1 34a_100000230001_100011217769 [0,1,0,1,0,0|1,0,1]=4 20335 B12R1.1414 FCCCOC1CCCCCC1 34a_100000210887_100011934791 [0,1,0,1,0,0|1,0,1]=4 20336 B12R1.1414 FCCCOC1CCCCCC1 34a_100000759539_100011217769 [0,1,0,1,0,0|1,0,1]=4 20337 B12R1.1414 FCCCOC1CCCCCC1 7a_100000210887_100011934791 [0,1,0,1,0,0|1,0,1]=4 20338 B12R1.1414 NCCCOC1CCCCCC1 34a_100000182051_100011217769 [0,1,0,1,0,0|1,0,1]=4 20339 B12R1.1414 OCCCOC1CCCCCC1 34a_100000210887_100000230001 [0,1,0,1,0,0|1,0,1]=4 20340 B12R1.1414 OCCCOC1CCCCCC1 7a_100000210887_100011215043 [0,1,0,1,0,0|1,0,1]=4 20341 B12R1.1631 CCCOC1C(CCCC1C)C 34a_100011218088_100000210303 [0,1,0,1,0,0|1,0,1]=4 20342 B12R1.1631 CCCOC1C(CCCC1C)C 7a_100011218088_100000210303 [0,1,0,1,0,0|1,0,1]=4 20343 B12R1.1997 CC1(CCCCC1)OCCCF 34a_100011215885_100011934791 [0,1,0,1,0,0|1,0,1]=4 20344 B12R1.1997 CC1(CCCCC1)OCCCF 7a_100011215885_100011934791 [0,1,0,1,0,0|1,0,1]=4 20345 B12R1.1997 CC1(CCCCC1)OCCCO 34a_100011215885_100000230001 [0,1,0,1,0,0|1,0,1]=4 20346 B12R1.1997 CC1(CCCCC1)OCCCO 7a_100011215885_100011215043 [0,1,0,1,0,0|1,0,1]=4 20347 B12R1.1997 CCCCOC1(CCCCC1)C 34a_100011215885_100000210210 [0,1,0,1,0,0|1,0,1]=4 20348 B12R1.1997 CCCCOC1(CCCCC1)C 7a_100011215885_100000210211 [0,1,0,1,0,0|1,0,1]=4 20349 B12R1.1997 CCCOCC1(CCCCC1)C 34a_100000688186_100000210303 [0,1,0,1,0,0|1,0,1]=4 20350 B12R1.1997 CCCOCC1(CCCCC1)C 7a_100000688186_100000210303 [0,1,0,1,0,0|1,0,1]=4 20351 B12R1.1997 CCCOCC1(CCCCC1)F 34a_100000090305_100000210303 [0,1,0,1,0,0|1,0,1]=4 20352 B12R1.1997 CCCOCC1(CCCCC1)F 7a_100000090305_100000210303 [0,1,0,1,0,0|1,0,1]=4 20353 B12R1.1997 CCCOCC1(CCCCC1)N 34a_100000740034_100000210303 [0,1,0,1,0,0|1,0,1]=4 20354 B12R1.1997 COCCOC1(CCCCC1)C 34a_100011215885_100011201679 [0,1,0,1,0,0|1,0,1]=4 20355 B12R1.1997 COCCOC1(CCCCC1)C 7a_100011215885_100000233755 [0,1,0,1,0,0|1,0,1]=4 20356 B12R1.1997 CSCCOC1(CCCCC1)C 34a_100011215885_100000212216 [0,1,0,1,0,0|1,0,1]=4 20357 B12R1.1997 CSCCOC1(CCCCC1)C 7a_100011215885_100000212216 [0,1,0,1,0,0|1,0,1]=4 20358 B12R1.125 CC(Br)COC1CCCCC1=O 34a_100012180447_100000754470 [0,1,0,1,0,0|2,0,0]=4 20359 B12R1.125 CC(Br)COC1CCCNC1=O 34a_100012180447_100000687798 [0,1,0,1,0,0|2,0,0]=4 20360 B12R1.125 CC(C)CNC1CCCCC1=O 34a_100000210953_100000754470 [0,1,0,1,0,0|2,0,0]=4 20361 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 20362 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000747585_100000210760 [0,1,0,1,0,0|2,0,0]=4 20363 B12R1.125 CC(C)CNC1CCCNC1=O 270004a_100000747585_100000210432 [0,1,0,1,0,0|2,0,0]=4 20364 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000210953_100000687798 [0,1,0,1,0,0|2,0,0]=4 20365 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000747585_100000210624 [0,1,0,1,0,0|2,0,0]=4 20366 B12R1.125 CC(C)COC1CCCCC1=O 34a_100000210257_100000754470 [0,1,0,1,0,0|2,0,0]=4 20367 B12R1.125 CC(C)COC1CCCCC1=O 34a_100011214950_100000210624 [0,1,0,1,0,0|2,0,0]=4 20368 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000073722_100000210624 [0,1,0,1,0,0|2,0,0]=4 20369 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000210257_100000687798 [0,1,0,1,0,0|2,0,0]=4 20370 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000204591_100000210760 [0,1,0,1,0,0|2,0,0]=4 20371 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000210624_100000204591 [0,1,0,1,0,0|2,0,0]=4 20372 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000210624_100000687798 [0,1,0,1,0,0|2,0,0]=4 20373 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000687798_100000210760 [0,1,0,1,0,0|2,0,0]=4 20374 B12R1.125 CC(C)OCC1CCCCC1=O 34a_100009861125_100000210206 [0,1,0,1,0,0|2,0,0]=4 20375 B12R1.125 CC(C)OCC1CCCCC1=O 7a_100009861125_100000210206 [0,1,0,1,0,0|2,0,0]=4 20376 B12R1.125 CC(F)COC1CCCCC1=O 34a_100015925927_100000754470 [0,1,0,1,0,0|2,0,0]=4 20377 B12R1.125 CC(F)COC1CCCNC1=O 34a_100015925927_100000687798 [0,1,0,1,0,0|2,0,0]=4 20378 B12R1.125 CC(O)CNC1CCCCC1=O 34a_100000210904_100000754470 [0,1,0,1,0,0|2,0,0]=4 20379 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 20380 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 20381 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000210904_100000687798 [0,1,0,1,0,0|2,0,0]=4 20382 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000747585_100011218427 [0,1,0,1,0,0|2,0,0]=4 20383 B12R1.125 CC(O)COC1CCCCC1=O 34a_100011214950_100011218427 [0,1,0,1,0,0|2,0,0]=4 20384 B12R1.125 CC(O)COC1CCCNC1=O 34a_100000073722_100011218427 [0,1,0,1,0,0|2,0,0]=4 20385 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100000204591_100011218427 [0,1,0,1,0,0|2,0,0]=4 20386 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100011218427_100000204591 [0,1,0,1,0,0|2,0,0]=4 20387 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100000687798_100011218427 [0,1,0,1,0,0|2,0,0]=4 20388 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100011218427_100000687798 [0,1,0,1,0,0|2,0,0]=4 20389 B12R1.125 C[C@@H](Cl)COC1CCCCC1=O 34a_100016084084_100000754470 [0,1,0,1,0,0|2,0,0]=4 20390 B12R1.125 C[C@@H](Cl)COC1CCCNC1=O 34a_100016084084_100000687798 [0,1,0,1,0,0|2,0,0]=4 20391 B12R1.125 C[C@@H](N)COC1CCCCC1=O 34a_100000737577_100000754470 [0,1,0,1,0,0|2,0,0]=4 20392 B12R1.125 C[C@@H](N)COC1CCCNC1=O 34a_100000737577_100000687798 [0,1,0,1,0,0|2,0,0]=4 20393 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 2230a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 20394 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 34a_100000747585_100009817552 [0,1,0,1,0,0|2,0,0]=4 20395 B12R1.125 C[C@@H](O)COC1CCCCC1=O 34a_100011214950_100009817552 [0,1,0,1,0,0|2,0,0]=4 20396 B12R1.125 C[C@@H](O)COC1CCCNC1=O 34a_100000073722_100009817552 [0,1,0,1,0,0|2,0,0]=4 20397 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100000204591_100009817552 [0,1,0,1,0,0|2,0,0]=4 20398 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100009817552_100000204591 [0,1,0,1,0,0|2,0,0]=4 20399 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100000687798_100009817552 [0,1,0,1,0,0|2,0,0]=4 20400 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100009817552_100000687798 [0,1,0,1,0,0|2,0,0]=4 20401 B12R1.874 CC(C)CN1CCCNC(=O)C1 2230a_100015190381_100000210760 [0,1,0,1,0,0|2,0,0]=4 20402 B12R1.874 CC(C)CN1CCCNC(=O)C1 270004a_100015190381_100000210432 [0,1,0,1,0,0|2,0,0]=4 20403 B12R1.874 CC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218427 [0,1,0,1,0,0|2,0,0]=4 20404 B12R1.874 C[C@@H](O)CN1CCCNC(=O)C1 2230a_100015190381_100009817552 [0,1,0,1,0,0|2,0,0]=4 20405 B12R1.887 CCCOC1CCCC(C1)(C)C 7a_100011995757_100000210303 [0,1,0,1,0,0|1,0,1]=4 20406 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 20407 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 20408 B12R1.1236 CC(C)N1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210206 [0,1,0,1,0,0|2,0,0]=4 20409 B12R1.1238 CC(=O)CCCC(=O)C1CC1C 1458a_100000211227_100011215641 [0,1,0,1,0,0|1,0,1]=4 20410 B12R1.1238 CC(C)CCCC(=O)C1CC1C 1458a_100000211227_100011214892 [0,1,0,1,0,0|1,0,0]=3 20411 B12R1.1238 CC(C)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011214892 [0,1,0,1,0,0|2,0,0]=4 20412 B12R1.1238 CC(C)CCNC(=O)C1CC1C 11a_100000210545_100000211227 [0,1,0,1,0,0|2,0,0]=4 20413 B12R1.1238 CC(C)CCNC(=O)C1CC1C 1626a_100000210545_100000211227 [0,1,0,1,0,0|2,0,0]=4 20414 B12R1.1238 CC(C)CCNC(=O)C1CC1C 527a_100000210545_100000211227 [0,1,0,1,0,0|2,0,0]=4 20415 B12R1.1238 CC(C)OCCC(=O)C1CC1C 1458a_100000211227_100000211751 [0,1,0,1,0,0|2,0,0]=4 20416 B12R1.1238 CC(C)SCCC(=O)C1CC1C 1458a_100000211227_100000730970 [0,1,0,1,0,0|2,0,0]=4 20417 B12R1.1238 CC(O)CCCC(=O)C1CC1C 1458a_100000211227_200000718107 [0,1,0,1,0,0|1,0,0]=3 20418 B12R1.1238 CC(O)CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000718107 [0,1,0,1,0,0|2,0,0]=4 20419 B12R1.1238 CC(O)CCNC(=O)C1CC1C 527a_200000755665_100000211227 [0,1,0,1,0,0|2,0,0]=4 20420 B12R1.1238 CC1CC1C(=O)CCCN(C)C 1458a_100000211227_100000695564 [0,1,0,1,0,0|2,0,0]=4 20421 B12R1.1357 CC(=O)CCCC(=O)C1CCC1 1458a_100000209988_100011215641 [0,1,0,1,0,0|1,0,1]=4 20422 B12R1.1357 CC(Br)COCC(=O)C1CCC1 34a_100012180447_100000686122 [0,1,0,1,0,0|2,0,0]=4 20423 B12R1.1357 CC(Br)COCC(=O)N1CCC1 34a_100012180447_100000185095 [0,1,0,1,0,0|2,0,0]=4 20424 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100000209988_100011214892 [0,1,0,1,0,0|1,0,0]=3 20425 B12R1.1357 CC(C)CCCC(=O)C1CCC1 1458a_100011216857_100000749161 [0,1,0,1,0,0|1,0,0]=3 20426 B12R1.1357 CC(C)CCCC(=O)C1CCO1 1458a_100000089072_100011214892 [0,1,0,1,0,0|2,0,0]=4 20427 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100000758290_100011214892 [0,1,0,1,0,0|2,0,0]=4 20428 B12R1.1357 CC(C)CCCC(=O)C1COC1 1458a_100011216857_100000687716 [0,1,0,1,0,0|2,0,0]=4 20429 B12R1.1357 CC(C)CCCC(=O)N1CCC1 11a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 20430 B12R1.1357 CC(C)CCCC(=O)N1CCC1 240690a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 20431 B12R1.1357 CC(C)CCCC(=O)N1CCC1 527a_100000754969_100011216857 [0,1,0,1,0,0|1,0,0]=3 20432 B12R1.1357 CC(C)CCNC(=O)C1CCC1 11a_100000210545_100000209988 [0,1,0,1,0,0|2,0,0]=4 20433 B12R1.1357 CC(C)CCNC(=O)C1CCC1 1626a_100000210545_100000209988 [0,1,0,1,0,0|2,0,0]=4 20434 B12R1.1357 CC(C)CCNC(=O)C1CCC1 240690a_100000210545_100000209988 [0,1,0,1,0,0|2,0,0]=4 20435 B12R1.1357 CC(C)CCNC(=O)C1CCC1 527a_100000210545_100000209988 [0,1,0,1,0,0|2,0,0]=4 20436 B12R1.1357 CC(C)CCNC(=O)N1CCC1 2708a_100000210545_100000754969 [0,1,0,1,0,0|2,0,0]=4 20437 B12R1.1357 CC(C)CCNC(=O)N1CCC1 273464a_100000210545_100000754969 [0,1,0,1,0,0|2,0,0]=4 20438 B12R1.1357 CC(C)CNCC(=O)C1CCC1 2230a_100000210953_100000686122 [0,1,0,1,0,0|2,0,0]=4 20439 B12R1.1357 CC(C)CNCC(=O)C1CCC1 34a_100000210953_100000686122 [0,1,0,1,0,0|2,0,0]=4 20440 B12R1.1357 CC(C)CNCC(=O)N1CCC1 2230a_100000210953_100000185095 [0,1,0,1,0,0|2,0,0]=4 20441 B12R1.1357 CC(C)CNCC(=O)N1CCC1 34a_100000210953_100000185095 [0,1,0,1,0,0|2,0,0]=4 20442 B12R1.1357 CC(C)COCC(=O)C1CCC1 1458a_100011223364_100000749161 [0,1,0,1,0,0|2,0,0]=4 20443 B12R1.1357 CC(C)COCC(=O)C1CCC1 34a_100000210257_100000686122 [0,1,0,1,0,0|2,0,0]=4 20444 B12R1.1357 CC(C)COCC(=O)N1CCC1 11a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 20445 B12R1.1357 CC(C)COCC(=O)N1CCC1 240690a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 20446 B12R1.1357 CC(C)COCC(=O)N1CCC1 34a_100000210257_100000185095 [0,1,0,1,0,0|2,0,0]=4 20447 B12R1.1357 CC(C)COCC(=O)N1CCC1 527a_100000754969_100011223364 [0,1,0,1,0,0|2,0,0]=4 20448 B12R1.1357 CC(C)CSCC(=O)C1CCC1 62a_100000210624_100000686122 [0,1,0,1,0,0|2,0,0]=4 20449 B12R1.1357 CC(C)CSCC(=O)C1CCC1 62a_100000686122_100000210760 [0,1,0,1,0,0|2,0,0]=4 20450 B12R1.1357 CC(C)CSCC(=O)N1CCC1 62a_100000185095_100000210760 [0,1,0,1,0,0|2,0,0]=4 20451 B12R1.1357 CC(C)CSCC(=O)N1CCC1 62a_100000210624_100000185095 [0,1,0,1,0,0|2,0,0]=4 20452 B12R1.1357 CC(C)OCCC(=O)C1CCC1 1458a_100000209988_100000211751 [0,1,0,1,0,0|2,0,0]=4 20453 B12R1.1357 CC(C)SCCC(=O)C1CCC1 1458a_100000209988_100000730970 [0,1,0,1,0,0|2,0,0]=4 20454 B12R1.1357 CC(F)COCC(=O)C1CCC1 34a_100015925927_100000686122 [0,1,0,1,0,0|2,0,0]=4 20455 B12R1.1357 CC(F)COCC(=O)N1CCC1 34a_100015925927_100000185095 [0,1,0,1,0,0|2,0,0]=4 20456 B12R1.1357 CC(O)CCCC(=O)C1CCC1 1458a_100000209988_200000718107 [0,1,0,1,0,0|1,0,0]=3 20457 B12R1.1357 CC(O)CCCC(=O)C1CCO1 1458a_100000089072_200000718107 [0,1,0,1,0,0|2,0,0]=4 20458 B12R1.1357 CC(O)CCCC(=O)C1COC1 1458a_100000758290_200000718107 [0,1,0,1,0,0|2,0,0]=4 20459 B12R1.1357 CC(O)CCCC(=O)N1CCC1 527a_100000754969_100000761597 [0,1,0,1,0,0|1,0,0]=3 20460 B12R1.1357 CC(O)CCNC(=O)C1CCC1 240690a_200000755665_100000209988 [0,1,0,1,0,0|2,0,0]=4 20461 B12R1.1357 CC(O)CCNC(=O)C1CCC1 527a_200000755665_100000209988 [0,1,0,1,0,0|2,0,0]=4 20462 B12R1.1357 CC(O)CCNC(=O)N1CCC1 273464a_200000755665_100000754969 [0,1,0,1,0,0|2,0,0]=4 20463 B12R1.1357 CC(O)CNCC(=O)C1CCC1 2230a_100000210904_100000686122 [0,1,0,1,0,0|2,0,0]=4 20464 B12R1.1357 CC(O)CNCC(=O)C1CCC1 34a_100000210904_100000686122 [0,1,0,1,0,0|2,0,0]=4 20465 B12R1.1357 CC(O)CNCC(=O)N1CCC1 2230a_100000210904_100000185095 [0,1,0,1,0,0|2,0,0]=4 20466 B12R1.1357 CC(O)CNCC(=O)N1CCC1 34a_100000210904_100000185095 [0,1,0,1,0,0|2,0,0]=4 20467 B12R1.1357 CC(O)CSCC(=O)C1CCC1 62a_100000686122_100011218427 [0,1,0,1,0,0|2,0,0]=4 20468 B12R1.1357 CC(O)CSCC(=O)C1CCC1 62a_100011218427_100000686122 [0,1,0,1,0,0|2,0,0]=4 20469 B12R1.1357 CC(O)CSCC(=O)N1CCC1 62a_100000185095_100011218427 [0,1,0,1,0,0|2,0,0]=4 20470 B12R1.1357 CC(O)CSCC(=O)N1CCC1 62a_100011218427_100000185095 [0,1,0,1,0,0|2,0,0]=4 20471 B12R1.1357 CN(C)CCCC(=O)C1CCC1 1458a_100000209988_100000695564 [0,1,0,1,0,0|2,0,0]=4 20472 B12R1.1357 CN(C)CCCC(=O)N1CCC1 11a_100000754969_100000740757 [0,1,0,1,0,0|2,0,0]=4 20473 B12R1.1357 CN(C)CCCC(=O)N1CCC1 240690a_100000754969_100000740757 [0,1,0,1,0,0|2,0,0]=4 20474 B12R1.1357 C[C@@H](Cl)COCC(=O)C1CCC1 34a_100016084084_100000686122 [0,1,0,1,0,0|2,0,0]=4 20475 B12R1.1357 C[C@@H](Cl)COCC(=O)N1CCC1 34a_100016084084_100000185095 [0,1,0,1,0,0|2,0,0]=4 20476 B12R1.1357 C[C@@H](N)COCC(=O)C1CCC1 34a_100000737577_100000686122 [0,1,0,1,0,0|2,0,0]=4 20477 B12R1.1357 C[C@@H](N)COCC(=O)N1CCC1 34a_100000737577_100000185095 [0,1,0,1,0,0|2,0,0]=4 20478 B12R1.1357 C[C@@H](O)CSCC(=O)C1CCC1 62a_100000686122_100009817552 [0,1,0,1,0,0|2,0,0]=4 20479 B12R1.1357 C[C@@H](O)CSCC(=O)C1CCC1 62a_100009817552_100000686122 [0,1,0,1,0,0|2,0,0]=4 20480 B12R1.1357 C[C@@H](O)CSCC(=O)N1CCC1 62a_100000185095_100009817552 [0,1,0,1,0,0|2,0,0]=4 20481 B12R1.1357 C[C@@H](O)CSCC(=O)N1CCC1 62a_100009817552_100000185095 [0,1,0,1,0,0|2,0,0]=4 20482 B12R1.1359 CC(=O)CCCC(=O)CC1CC1 1458a_100000738066_100011215641 [0,1,0,1,0,0|1,0,1]=4 20483 B12R1.1359 CC(Br)COCC(=O)NC1CC1 34a_100012180447_100000182950 [0,1,0,1,0,0|2,0,0]=4 20484 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100000738066_100011214892 [0,1,0,1,0,0|1,0,0]=3 20485 B12R1.1359 CC(C)CCCC(=O)CC1CC1 1458a_100011216857_100000742324 [0,1,0,1,0,0|1,0,0]=3 20486 B12R1.1359 CC(C)CCCC(=O)CC1CO1 1458a_100011216857_100011216344 [0,1,0,1,0,0|2,0,0]=4 20487 B12R1.1359 CC(C)CCCC(=O)CC1CS1 1458a_100011216857_100000031435 [0,1,0,1,0,0|2,0,0]=4 20488 B12R1.1359 CC(C)CCCC(=O)C[C@@H]1CO1 1458a_100011216857_100000745022 [0,1,0,1,0,0|2,0,0]=4 20489 B12R1.1359 CC(C)CCCC(=O)NC1CC1 1626a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 20490 B12R1.1359 CC(C)CCCC(=O)NC1CC1 240690a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 20491 B12R1.1359 CC(C)CCCC(=O)NC1CC1 527a_100000212008_100011216857 [0,1,0,1,0,0|1,0,0]=3 20492 B12R1.1359 CC(C)CCCC(C)OC1CC1 34a_200011218570_100000211595 [0,1,0,1,0,0|1,0,1]=4 20493 B12R1.1359 CC(C)CCNC(=O)CC1CC1 11a_100000210545_100000738066 [0,1,0,1,0,0|2,0,0]=4 20494 B12R1.1359 CC(C)CCNC(=O)CC1CC1 1626a_100000210545_100000738066 [0,1,0,1,0,0|2,0,0]=4 20495 B12R1.1359 CC(C)CCNC(=O)CC1CC1 240690a_100000210545_100000738066 [0,1,0,1,0,0|2,0,0]=4 20496 B12R1.1359 CC(C)CCNC(=O)CC1CC1 527a_100000210545_100000738066 [0,1,0,1,0,0|2,0,0]=4 20497 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000210545_100000212008 [0,1,0,1,0,0|2,0,0]=4 20498 B12R1.1359 CC(C)CCNC(=O)NC1CC1 2708a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 20499 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000210545_100000212008 [0,1,0,1,0,0|2,0,0]=4 20500 B12R1.1359 CC(C)CCNC(=O)NC1CC1 273464a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 20501 B12R1.1359 CC(C)CCNC(=O)NC1CC1 512a_100000212008_100000210545 [0,1,0,1,0,0|2,0,0]=4 20502 B12R1.1359 CC(C)CNCC(=O)NC1CC1 2230a_100000210953_100000182950 [0,1,0,1,0,0|2,0,0]=4 20503 B12R1.1359 CC(C)CNCC(=O)NC1CC1 2230a_100000702991_100000210760 [0,1,0,1,0,0|2,0,0]=4 20504 B12R1.1359 CC(C)CNCC(=O)NC1CC1 270004a_100000702991_100000210432 [0,1,0,1,0,0|2,0,0]=4 20505 B12R1.1359 CC(C)CNCC(=O)NC1CC1 34a_100000210953_100000182950 [0,1,0,1,0,0|2,0,0]=4 20506 B12R1.1359 CC(C)COCC(=O)CC1CC1 1458a_100011223364_100000742324 [0,1,0,1,0,0|2,0,0]=4 20507 B12R1.1359 CC(C)COCC(=O)NC1CC1 1626a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 20508 B12R1.1359 CC(C)COCC(=O)NC1CC1 240690a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 20509 B12R1.1359 CC(C)COCC(=O)NC1CC1 34a_100000210257_100000182950 [0,1,0,1,0,0|2,0,0]=4 20510 B12R1.1359 CC(C)COCC(=O)NC1CC1 527a_100000212008_100011223364 [0,1,0,1,0,0|2,0,0]=4 20511 B12R1.1359 CC(C)CSCC(=O)NC1CC1 62a_100000182950_100000210760 [0,1,0,1,0,0|2,0,0]=4 20512 B12R1.1359 CC(C)CSCC(=O)NC1CC1 62a_100000210624_100000182950 [0,1,0,1,0,0|2,0,0]=4 20513 B12R1.1359 CC(C)NCCC(=O)NC1CC1 2230a_100138425928_100000737409 [0,1,0,1,0,0|2,0,0]=4 20514 B12R1.1359 CC(C)NCCC(=O)NC1CC1 34a_100138425928_100000737409 [0,1,0,1,0,0|2,0,0]=4 20515 B12R1.1359 CC(C)OCCC(=O)CC1CC1 1458a_100000738066_100000211751 [0,1,0,1,0,0|2,0,0]=4 20516 B12R1.1359 CC(C)OCCC(=O)NC1CC1 34a_100000212225_100000737409 [0,1,0,1,0,0|2,0,0]=4 20517 B12R1.1359 CC(C)SCCC(=O)CC1CC1 1458a_100000738066_100000730970 [0,1,0,1,0,0|2,0,0]=4 20518 B12R1.1359 CC(C)SCCC(=O)NC1CC1 62a_100000210206_100000737409 [0,1,0,1,0,0|2,0,0]=4 20519 B12R1.1359 CC(C)SCCC(=O)NC1CC1 62a_100000737409_100000210206 [0,1,0,1,0,0|2,0,0]=4 20520 B12R1.1359 CC(F)COCC(=O)NC1CC1 34a_100015925927_100000182950 [0,1,0,1,0,0|2,0,0]=4 20521 B12R1.1359 CC(O)CCCC(=O)CC1CC1 1458a_100000738066_200000718107 [0,1,0,1,0,0|1,0,0]=3 20522 B12R1.1359 CC(O)CCCC(=O)NC1CC1 1626a_100000212008_100000761597 [0,1,0,1,0,0|1,0,0]=3 20523 B12R1.1359 CC(O)CCCC(=O)NC1CC1 527a_100000212008_100000761597 [0,1,0,1,0,0|1,0,0]=3 20524 B12R1.1359 CC(O)CCNC(=O)CC1CC1 240690a_200000755665_100000738066 [0,1,0,1,0,0|2,0,0]=4 20525 B12R1.1359 CC(O)CCNC(=O)CC1CC1 527a_200000755665_100000738066 [0,1,0,1,0,0|2,0,0]=4 20526 B12R1.1359 CC(O)CCNC(=O)NC1CC1 2708a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 20527 B12R1.1359 CC(O)CCNC(=O)NC1CC1 273464a_200000755665_100000212008 [0,1,0,1,0,0|2,0,0]=4 20528 B12R1.1359 CC(O)CCNC(=O)NC1CC1 512a_100000212008_200000755665 [0,1,0,1,0,0|2,0,0]=4 20529 B12R1.1359 CC(O)CNCC(=O)NC1CC1 2230a_100000210904_100000182950 [0,1,0,1,0,0|2,0,0]=4 20530 B12R1.1359 CC(O)CNCC(=O)NC1CC1 2230a_100000702991_100011218427 [0,1,0,1,0,0|2,0,0]=4 20531 B12R1.1359 CC(O)CNCC(=O)NC1CC1 34a_100000210904_100000182950 [0,1,0,1,0,0|2,0,0]=4 20532 B12R1.1359 CC(O)CSCC(=O)NC1CC1 62a_100000182950_100011218427 [0,1,0,1,0,0|2,0,0]=4 20533 B12R1.1359 CC(O)CSCC(=O)NC1CC1 62a_100011218427_100000182950 [0,1,0,1,0,0|2,0,0]=4 20534 B12R1.1359 CN(C)CCCC(=O)CC1CC1 1458a_100000738066_100000695564 [0,1,0,1,0,0|2,0,0]=4 20535 B12R1.1359 CN(C)CCCC(=O)NC1CC1 240690a_100000212008_100000740757 [0,1,0,1,0,0|2,0,0]=4 20536 B12R1.1359 C[C@@H](Cl)COCC(=O)NC1CC1 34a_100016084084_100000182950 [0,1,0,1,0,0|2,0,0]=4 20537 B12R1.1359 C[C@@H](N)COCC(=O)NC1CC1 34a_100000737577_100000182950 [0,1,0,1,0,0|2,0,0]=4 20538 B12R1.1359 C[C@@H](O)CNCC(=O)NC1CC1 2230a_100000702991_100009817552 [0,1,0,1,0,0|2,0,0]=4 20539 B12R1.1359 C[C@@H](O)CSCC(=O)NC1CC1 62a_100000182950_100009817552 [0,1,0,1,0,0|2,0,0]=4 20540 B12R1.1359 C[C@@H](O)CSCC(=O)NC1CC1 62a_100009817552_100000182950 [0,1,0,1,0,0|2,0,0]=4 20541 B12R1.2043 CCCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210211 [0,1,0,1,0,0|2,0,0]=4 20542 B12R1.2043 CCCCC(=O)CC1CC1(F)F 1458a_100000210183_100009817841 [0,1,0,1,0,0|2,0,0]=4 20543 B12R1.2043 CCCNC(=O)CC1CC1(F)F 11a_100020643023_100000138109 [0,1,0,1,0,0|2,0,0]=4 20544 B12R1.2043 CCCNC(=O)CC1CC1(F)F 1626a_100020643023_100000138109 [0,1,0,1,0,0|2,0,0]=4 20545 B12R1.2043 CCCNC(=O)CC1CC1(F)F 240690a_100020643023_100000138109 [0,1,0,1,0,0|2,0,0]=4 20546 B12R1.2043 CCCNC(=O)CC1CC1(F)F 527a_100020643023_100000138109 [0,1,0,1,0,0|2,0,0]=4 20547 B12R1.25 CCCOC1CCCC(C1C)C 34a_100011217532_100000210303 [0,1,0,1,0,0|1,0,1]=4 20548 B12R1.25 CCCOC1CCCC(C1C)C 7a_100011217532_100000210303 [0,1,0,1,0,0|1,0,1]=4 20549 B12R1.2140 C#CC(CCCCC)OC1CC1 34a_100011216489_100000211595 [0,1,0,1,0,0|1,0,1]=4 20550 B12R1.2140 C=CC(CCCCC)OC1CC1 34a_100011216863_100000211595 [0,1,0,1,0,0|1,0,1]=4 20551 B12R1.2140 CCCCCC(CC)OC1CC1 34a_100011215405_100000211595 [0,1,0,1,0,0|1,0,1]=4 20552 B12R1.2279 C#CC1(CCCCC1)OCCC 34a_100011215672_100000210303 [0,1,0,1,0,0|1,0,1]=4 20553 B12R1.2279 C#CC1(CCCCC1)OCCC 7a_100011215672_100000210303 [0,1,0,1,0,0|1,0,1]=4 20554 B12R1.2279 C=CC1(CCCCC1)OCCC 34a_200011934219_100000210303 [0,1,0,1,0,0|1,0,1]=4 20555 B12R1.2279 C=CC1(CCCCC1)OCCC 7a_200011934219_100000210303 [0,1,0,1,0,0|1,0,1]=4 20556 B12R1.2279 CCCOC1(CCCCC1)CC 34a_100011216009_100000210303 [0,1,0,1,0,0|1,0,1]=4 20557 B12R1.2279 CCCOC1(CCCCC1)CC 7a_100011216009_100000210303 [0,1,0,1,0,0|1,0,1]=4 20558 B12R1.2279 CCCOC1(CCCCC1)CN 34a_100000748649_100000210303 [0,1,0,1,0,0|1,0,1]=4 20559 B12R1.15 CCC(=CC(=O)C1CCCC1)C 1458a_100020758463_100000179811 [0,1,0,1,0,0|1,0,1]=4 20560 B12R1.15 CCC(=O)CC(=O)C1CCCC1 1458a_100000210718_100000747405 [0,1,0,1,0,0|1,0,1]=4 20561 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000210718_100000748023 [0,1,0,1,0,0|1,0,0]=3 20562 B12R1.15 CCC(C)CC(=O)C1CCCC1 1458a_100000708755_100000179811 [0,1,0,1,0,0|1,0,0]=3 20563 B12R1.15 CCC(C)CC(=O)C1CCCS1 1458a_100012002731_100000748023 [0,1,0,1,0,0|2,0,0]=4 20564 B12R1.15 CCC(C)CC(=O)C1CCOC1 1458a_100000708755_100000690089 [0,1,0,1,0,0|2,0,0]=4 20565 B12R1.15 CCC(C)CC(=O)C1CCOC1 1458a_100011219752_100000748023 [0,1,0,1,0,0|2,0,0]=4 20566 B12R1.15 CCC(C)CC(=O)N1CCCC1 240690a_100000188435_100000708755 [0,1,0,1,0,0|2,0,0]=4 20567 B12R1.15 CCC(C)CC(=O)N1CCCC1 527a_100000188435_100000708755 [0,1,0,1,0,0|2,0,0]=4 20568 B12R1.15 CCC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000748023 [0,1,0,1,0,0|2,0,0]=4 20569 B12R1.15 CCC(C)NC(=O)C1CCCC1 11a_100000209981_100000210718 [0,1,0,1,0,0|1,0,0]=3 20570 B12R1.15 CCC(C)NC(=O)C1CCCC1 1626a_100000209981_100000210718 [0,1,0,1,0,0|1,0,0]=3 20571 B12R1.15 CCC(C)NC(=O)C1CCCC1 240690a_100000209981_100000210718 [0,1,0,1,0,0|1,0,0]=3 20572 B12R1.15 CCC(C)NC(=O)C1CCCC1 527a_100000209981_100000210718 [0,1,0,1,0,0|1,0,0]=3 20573 B12R1.15 CCC(C)NC(=O)C1CCCS1 11a_100000209981_100012002731 [0,1,0,1,0,0|2,0,0]=4 20574 B12R1.15 CCC(C)NC(=O)C1CCCS1 1626a_100000209981_100012002731 [0,1,0,1,0,0|2,0,0]=4 20575 B12R1.15 CCC(C)NC(=O)C1CCCS1 240690a_100000209981_100012002731 [0,1,0,1,0,0|2,0,0]=4 20576 B12R1.15 CCC(C)NC(=O)C1CCCS1 527a_100000209981_100012002731 [0,1,0,1,0,0|2,0,0]=4 20577 B12R1.15 CCC(C)NC(=O)C1CCOC1 11a_100000209981_100011219752 [0,1,0,1,0,0|2,0,0]=4 20578 B12R1.15 CCC(C)NC(=O)C1CCOC1 1626a_100000209981_100011219752 [0,1,0,1,0,0|2,0,0]=4 20579 B12R1.15 CCC(C)NC(=O)C1CCOC1 240690a_100000209981_100011219752 [0,1,0,1,0,0|2,0,0]=4 20580 B12R1.15 CCC(C)NC(=O)C1CCOC1 527a_100000209981_100011219752 [0,1,0,1,0,0|2,0,0]=4 20581 B12R1.15 CCC(C)NC(=O)N1CCCC1 2708a_100000209981_100000188435 [0,1,0,1,0,0|2,0,0]=4 20582 B12R1.15 CCC(C)NC(=O)N1CCCC1 273464a_100000209981_100000188435 [0,1,0,1,0,0|2,0,0]=4 20583 B12R1.15 CCC(C)NC(=O)[C@@H]1CCCO1 11a_100000209981_100000686382 [0,1,0,1,0,0|2,0,0]=4 20584 B12R1.15 CCC(C)NC(=O)[C@@H]1CCCO1 1626a_100000209981_100000686382 [0,1,0,1,0,0|2,0,0]=4 20585 B12R1.15 CCC(C)NC(=O)[C@@H]1CCCO1 240690a_100000209981_100000686382 [0,1,0,1,0,0|2,0,0]=4 20586 B12R1.15 CCC(C)NC(=O)[C@@H]1CCCO1 527a_100000209981_100000686382 [0,1,0,1,0,0|2,0,0]=4 20587 B12R1.15 CCC(C)OC(C)C1CCCC1 34a_100011216366_100011215416 [0,1,0,1,0,0|1,0,1]=4 20588 B12R1.15 CCC(C)OC(C)C1CCCC1 7a_100011216366_100000758301 [0,1,0,1,0,0|1,0,1]=4 20589 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218378 [0,1,0,1,0,0|1,0,0]=3 20590 B12R1.15 CCC(O)CC(=O)C1CCCC1 1458a_100011667805_100000179811 [0,1,0,1,0,0|1,0,0]=3 20591 B12R1.15 CCC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218378 [0,1,0,1,0,0|2,0,0]=4 20592 B12R1.15 CCC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218378 [0,1,0,1,0,0|2,0,0]=4 20593 B12R1.15 CCC(O)CC(=O)C1CCOC1 1458a_100011667805_100000690089 [0,1,0,1,0,0|2,0,0]=4 20594 B12R1.15 CCC(O)CC(=O)N1CCCC1 240690a_100000188435_100011667805 [0,1,0,1,0,0|2,0,0]=4 20595 B12R1.15 CCC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218378 [0,1,0,1,0,0|2,0,0]=4 20596 B12R1.15 CCN(C)CC(=O)C1CCCC1 1458a_100116209913_100000179811 [0,1,0,1,0,0|2,0,0]=4 20597 B12R1.15 CC[C@H](C)CC(=O)C1CCCC1 1458a_100000210718_100009816398 [0,1,0,1,0,0|1,0,0]=3 20598 B12R1.15 CC[C@H](C)CC(=O)C1CCCS1 1458a_100012002731_100009816398 [0,1,0,1,0,0|2,0,0]=4 20599 B12R1.15 CC[C@H](C)CC(=O)C1CCOC1 1458a_100011219752_100009816398 [0,1,0,1,0,0|2,0,0]=4 20600 B12R1.15 CC[C@H](C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100009816398 [0,1,0,1,0,0|2,0,0]=4 20601 B12R1.15 C[C@@H](CO)CC(=O)C1CCCC1 1458a_100000210718_100000059175 [0,1,0,1,0,0|2,0,0]=4 20602 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 11a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 20603 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 1626a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 20604 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 240690a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 20605 B12R1.15 C[C@H](CF)NC(=O)C1CCCC1 527a_100102880703_100000210718 [0,1,0,1,0,0|2,0,0]=4 20606 B12R1.15 C[C@H](CO)NC(=O)C1CCCC1 240690a_100000737577_100000210718 [0,1,0,1,0,0|2,0,0]=4 20607 B12R1.15 C[C@H](CO)NC(=O)C1CCCC1 527a_100000737577_100000210718 [0,1,0,1,0,0|2,0,0]=4 20608 B12R1.50 CCC(C)OC1CCCC(C1)C 34a_100000211399_100011215416 [0,1,0,1,0,0|1,0,1]=4 20609 B12R1.304 CCC(=CC(=O)CC1CCC1)C 1458a_100020758463_100000763275 [0,1,0,1,0,0|1,0,1]=4 20610 B12R1.304 CCC(=O)CC(=O)CC1CCC1 1458a_100000763092_100000747405 [0,1,0,1,0,0|1,0,1]=4 20611 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000708755_100000763275 [0,1,0,1,0,0|1,0,0]=3 20612 B12R1.304 CCC(C)CC(=O)CC1CCC1 1458a_100000763092_100000748023 [0,1,0,1,0,0|1,0,0]=3 20613 B12R1.304 CCC(C)CC(=O)CC1CCO1 1458a_100000708755_100000103362 [0,1,0,1,0,0|2,0,0]=4 20614 B12R1.304 CCC(C)CC(=O)CC1COC1 1458a_100000687760_100000748023 [0,1,0,1,0,0|2,0,0]=4 20615 B12R1.304 CCC(C)CC(=O)CC1COC1 1458a_100000708755_100010264016 [0,1,0,1,0,0|2,0,0]=4 20616 B12R1.304 CCC(C)CC(=O)NC1CCC1 11a_100000749019_100000708755 [0,1,0,1,0,0|2,0,0]=4 20617 B12R1.304 CCC(C)CC(=O)NC1CCC1 1626a_100000749019_100000708755 [0,1,0,1,0,0|2,0,0]=4 20618 B12R1.304 CCC(C)CC(=O)NC1CCC1 240690a_100000749019_100000708755 [0,1,0,1,0,0|2,0,0]=4 20619 B12R1.304 CCC(C)CC(=O)NC1CCC1 527a_100000749019_100000708755 [0,1,0,1,0,0|2,0,0]=4 20620 B12R1.304 CCC(C)NC(=O)CC1CCC1 11a_100000209981_100000763092 [0,1,0,1,0,0|1,0,0]=3 20621 B12R1.304 CCC(C)NC(=O)CC1CCC1 1626a_100000209981_100000763092 [0,1,0,1,0,0|1,0,0]=3 20622 B12R1.304 CCC(C)NC(=O)CC1CCC1 240690a_100000209981_100000763092 [0,1,0,1,0,0|1,0,0]=3 20623 B12R1.304 CCC(C)NC(=O)CC1CCC1 527a_100000209981_100000763092 [0,1,0,1,0,0|1,0,0]=3 20624 B12R1.304 CCC(C)NC(=O)CC1COC1 11a_100000209981_100000687760 [0,1,0,1,0,0|2,0,0]=4 20625 B12R1.304 CCC(C)NC(=O)CC1COC1 1626a_100000209981_100000687760 [0,1,0,1,0,0|2,0,0]=4 20626 B12R1.304 CCC(C)NC(=O)CN1CCC1 269982a_100000754969_100000182745 [0,1,0,1,0,0|2,0,0]=4 20627 B12R1.304 CCC(C)NC(=O)NC1CCC1 2708a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 20628 B12R1.304 CCC(C)NC(=O)NC1CCC1 273464a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 20629 B12R1.304 CCC(C)NC(=O)NC1CCC1 273464a_100000749019_100000209981 [0,1,0,1,0,0|2,0,0]=4 20630 B12R1.304 CCC(C)NC(=O)NC1CCC1 512a_100000209981_100000749019 [0,1,0,1,0,0|2,0,0]=4 20631 B12R1.304 CCC(C)NC(=O)NC1CCC1 512a_100000749019_100000209981 [0,1,0,1,0,0|2,0,0]=4 20632 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218378 [0,1,0,1,0,0|1,0,0]=3 20633 B12R1.304 CCC(O)CC(=O)CC1CCC1 1458a_100011667805_100000763275 [0,1,0,1,0,0|1,0,0]=3 20634 B12R1.304 CCC(O)CC(=O)CC1CCO1 1458a_100011667805_100000103362 [0,1,0,1,0,0|2,0,0]=4 20635 B12R1.304 CCC(O)CC(=O)CC1COC1 1458a_100000687760_100011218378 [0,1,0,1,0,0|2,0,0]=4 20636 B12R1.304 CCC(O)CC(=O)CC1COC1 1458a_100011667805_100010264016 [0,1,0,1,0,0|2,0,0]=4 20637 B12R1.304 CCC(O)CC(=O)NC1CCC1 1626a_100000749019_100011667805 [0,1,0,1,0,0|2,0,0]=4 20638 B12R1.304 CCC(O)CC(=O)NC1CCC1 240690a_100000749019_100011667805 [0,1,0,1,0,0|2,0,0]=4 20639 B12R1.304 CCN(C)CC(=O)CC1CCC1 1458a_100116209913_100000763275 [0,1,0,1,0,0|2,0,0]=4 20640 B12R1.304 CC[C@H](C)CC(=O)CC1CCC1 1458a_100000763092_100009816398 [0,1,0,1,0,0|1,0,0]=3 20641 B12R1.304 CC[C@H](C)CC(=O)CC1COC1 1458a_100000687760_100009816398 [0,1,0,1,0,0|2,0,0]=4 20642 B12R1.304 C[C@@H](CO)CC(=O)CC1CCC1 1458a_100000763092_100000059175 [0,1,0,1,0,0|2,0,0]=4 20643 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 11a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 20644 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 1626a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 20645 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 240690a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 20646 B12R1.304 C[C@H](CF)NC(=O)CC1CCC1 527a_100102880703_100000763092 [0,1,0,1,0,0|2,0,0]=4 20647 B12R1.304 C[C@H](CO)NC(=O)CC1CCC1 240690a_100000737577_100000763092 [0,1,0,1,0,0|2,0,0]=4 20648 B12R1.304 C[C@H](CO)NC(=O)CC1CCC1 527a_100000737577_100000763092 [0,1,0,1,0,0|2,0,0]=4 20649 B12R1.305 CCC(=CC(=O)CCC1CC1)C 1458a_100020758463_100000694398 [0,1,0,1,0,0|1,0,1]=4 20650 B12R1.305 CCC(=O)CC(=O)CCC1CC1 1458a_100000756386_100000747405 [0,1,0,1,0,0|1,0,1]=4 20651 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000708755_100000694398 [0,1,0,1,0,0|1,0,0]=3 20652 B12R1.305 CCC(C)CC(=O)CCC1CC1 1458a_100000756386_100000748023 [0,1,0,1,0,0|1,0,0]=3 20653 B12R1.305 CCC(C)CC(=O)CCC1CO1 1458a_100000708755_100000732470 [0,1,0,1,0,0|2,0,0]=4 20654 B12R1.305 CCC(C)CC(=O)NCC1CC1 11a_100000735609_100000708755 [0,1,0,1,0,0|2,0,0]=4 20655 B12R1.305 CCC(C)CC(=O)NCC1CC1 1626a_100000735609_100000708755 [0,1,0,1,0,0|2,0,0]=4 20656 B12R1.305 CCC(C)CC(=O)NCC1CC1 240690a_100000735609_100000708755 [0,1,0,1,0,0|2,0,0]=4 20657 B12R1.305 CCC(C)CC(=O)NCC1CC1 527a_100000735609_100000708755 [0,1,0,1,0,0|2,0,0]=4 20658 B12R1.305 CCC(C)NC(=O)CCC1CC1 11a_100000209981_100000756386 [0,1,0,1,0,0|1,0,0]=3 20659 B12R1.305 CCC(C)NC(=O)CCC1CC1 1626a_100000209981_100000756386 [0,1,0,1,0,0|1,0,0]=3 20660 B12R1.305 CCC(C)NC(=O)CCC1CC1 240690a_100000209981_100000756386 [0,1,0,1,0,0|1,0,0]=3 20661 B12R1.305 CCC(C)NC(=O)CCC1CC1 527a_100000209981_100000756386 [0,1,0,1,0,0|1,0,0]=3 20662 B12R1.305 CCC(C)NC(=O)CNC1CC1 34a_100000212008_100000182745 [0,1,0,1,0,0|2,0,0]=4 20663 B12R1.305 CCC(C)NC(=O)CSC1CC1 62a_100000182745_100000211595 [0,1,0,1,0,0|2,0,0]=4 20664 B12R1.305 CCC(C)NC(=O)NCC1CC1 2708a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 20665 B12R1.305 CCC(C)NC(=O)NCC1CC1 2708a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 20666 B12R1.305 CCC(C)NC(=O)NCC1CC1 273464a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 20667 B12R1.305 CCC(C)NC(=O)NCC1CC1 273464a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 20668 B12R1.305 CCC(C)NC(=O)NCC1CC1 512a_100000209981_100000735609 [0,1,0,1,0,0|2,0,0]=4 20669 B12R1.305 CCC(C)NC(=O)NCC1CC1 512a_100000735609_100000209981 [0,1,0,1,0,0|2,0,0]=4 20670 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218378 [0,1,0,1,0,0|1,0,0]=3 20671 B12R1.305 CCC(O)CC(=O)CCC1CC1 1458a_100011667805_100000694398 [0,1,0,1,0,0|1,0,0]=3 20672 B12R1.305 CCC(O)CC(=O)CCC1CO1 1458a_100011667805_100000732470 [0,1,0,1,0,0|2,0,0]=4 20673 B12R1.305 CCC(O)CC(=O)NCC1CC1 1626a_100000735609_100011667805 [0,1,0,1,0,0|2,0,0]=4 20674 B12R1.305 CCC(O)CC(=O)NCC1CC1 240690a_100000735609_100011667805 [0,1,0,1,0,0|2,0,0]=4 20675 B12R1.305 CCN(C)CC(=O)CCC1CC1 1458a_100116209913_100000694398 [0,1,0,1,0,0|2,0,0]=4 20676 B12R1.305 CC[C@H](C)CC(=O)CCC1CC1 1458a_100000756386_100009816398 [0,1,0,1,0,0|1,0,0]=3 20677 B12R1.305 C[C@@H](CO)CC(=O)CCC1CC1 1458a_100000756386_100000059175 [0,1,0,1,0,0|2,0,0]=4 20678 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 11a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 20679 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 1626a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 20680 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 240690a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 20681 B12R1.305 C[C@H](CF)NC(=O)CCC1CC1 527a_100102880703_100000756386 [0,1,0,1,0,0|2,0,0]=4 20682 B12R1.305 C[C@H](CO)NC(=O)CCC1CC1 240690a_100000737577_100000756386 [0,1,0,1,0,0|2,0,0]=4 20683 B12R1.305 C[C@H](CO)NC(=O)CCC1CC1 527a_100000737577_100000756386 [0,1,0,1,0,0|2,0,0]=4 20684 B12R1.306 CCC(C)CC(=O)N1CCC1C 11a_100000755817_100000708755 [0,1,0,1,0,0|2,0,0]=4 20685 B12R1.306 CCC(C)CC(=O)N1CCC1C 240690a_100000755817_100000708755 [0,1,0,1,0,0|2,0,0]=4 20686 B12R1.306 CCC(C)CC(=O)N1CCC1C 527a_100000755817_100000708755 [0,1,0,1,0,0|2,0,0]=4 20687 B12R1.306 CCC(C)NC(=O)N1CCC1C 2708a_100000209981_100000755817 [0,1,0,1,0,0|2,0,0]=4 20688 B12R1.306 CCC(C)NC(=O)N1CCC1C 273464a_100000209981_100000755817 [0,1,0,1,0,0|2,0,0]=4 20689 B12R1.306 CCC(O)CC(=O)N1CCC1C 240690a_100000755817_100011667805 [0,1,0,1,0,0|2,0,0]=4 20690 B12R1.365 CCC(=O)C1CCCCCC1=O 1458a_100000210414_100000243696 [0,1,0,1,0,0|1,0,1]=4 20691 B12R1.365 CCN(C)C1CCCCCC1=O 269982a_100000225621_100000243696 [0,1,0,1,0,0|2,0,0]=4 20692 B12R1.900 CC1(CC1)CC(=O)CCCCF 1458a_100000112800_100000729493 [0,1,0,1,0,0|2,0,0]=4 20693 B12R1.900 CC1(CC1)CC(=O)CCCCO 1458a_100000112800_100000210776 [0,1,0,1,0,0|2,0,0]=4 20694 B12R1.900 CC1(CC1)NC(=O)CCCCO 1626a_100000757604_100000695505 [0,1,0,1,0,0|2,0,0]=4 20695 B12R1.900 CCCCCC(=O)CC1(CC1)C 1458a_100000112800_100000210326 [0,1,0,1,0,0|1,0,0]=3 20696 B12R1.900 CCCCCC(=O)CC1(CO1)C 1458a_100000212188_100000760498 [0,1,0,1,0,0|2,0,0]=4 20697 B12R1.900 CCCCCC(=O)NC1(CC1)C 11a_100000757604_100000212188 [0,1,0,1,0,0|1,0,0]=3 20698 B12R1.900 CCCCCC(=O)NC1(CC1)C 1626a_100000757604_100000212188 [0,1,0,1,0,0|1,0,0]=3 20699 B12R1.900 CCCCCC(=O)NC1(CC1)C 240690a_100000757604_100000212188 [0,1,0,1,0,0|1,0,0]=3 20700 B12R1.900 CCCCCC(=O)NC1(CC1)C 527a_100000757604_100000212188 [0,1,0,1,0,0|1,0,0]=3 20701 B12R1.900 CCCCCC(C)OC1(CC1)C 7a_100011725673_200011218191 [0,1,0,1,0,0|1,0,1]=4 20702 B12R1.900 CCCCNC(=O)CC1(CC1)C 11a_100000102301_100000112800 [0,1,0,1,0,0|2,0,0]=4 20703 B12R1.900 CCCCNC(=O)CC1(CC1)C 1626a_100000102301_100000112800 [0,1,0,1,0,0|2,0,0]=4 20704 B12R1.900 CCCCNC(=O)CC1(CC1)C 240690a_100000102301_100000112800 [0,1,0,1,0,0|2,0,0]=4 20705 B12R1.900 CCCCNC(=O)CC1(CC1)C 527a_100000102301_100000112800 [0,1,0,1,0,0|2,0,0]=4 20706 B12R1.900 CCCCNC(=O)NC1(CC1)C 2708a_100000102301_100000757604 [0,1,0,1,0,0|2,0,0]=4 20707 B12R1.900 CCCCNC(=O)NC1(CC1)C 273464a_100000102301_100000757604 [0,1,0,1,0,0|2,0,0]=4 20708 B12R1.900 CCCCNC(=O)NC1(CC1)C 273464a_100000757604_100000102301 [0,1,0,1,0,0|2,0,0]=4 20709 B12R1.900 CCCCNC(=O)NC1(CC1)C 512a_100000757604_100000102301 [0,1,0,1,0,0|2,0,0]=4 20710 B12R1.900 CCCOCC(=O)NC1(CC1)C 11a_100000757604_100000745993 [0,1,0,1,0,0|2,0,0]=4 20711 B12R1.900 CCCOCC(=O)NC1(CC1)C 1626a_100000757604_100000745993 [0,1,0,1,0,0|2,0,0]=4 20712 B12R1.900 CCCOCC(=O)NC1(CC1)C 240690a_100000757604_100000745993 [0,1,0,1,0,0|2,0,0]=4 20713 B12R1.900 CCCOCC(=O)NC1(CC1)C 527a_100000757604_100000745993 [0,1,0,1,0,0|2,0,0]=4 20714 B12R1.900 CCCSCC(=O)NC1(CC1)C 11a_100000757604_100000217233 [0,1,0,1,0,0|2,0,0]=4 20715 B12R1.900 CCCSCC(=O)NC1(CC1)C 1626a_100000757604_100000217233 [0,1,0,1,0,0|2,0,0]=4 20716 B12R1.900 CCCSCC(=O)NC1(CC1)C 240690a_100000757604_100000217233 [0,1,0,1,0,0|2,0,0]=4 20717 B12R1.900 CCCSCC(=O)NC1(CC1)C 527a_100000757604_100000217233 [0,1,0,1,0,0|2,0,0]=4 20718 B12R1.900 CCOCCC(=O)CC1(CC1)C 1458a_100000112800_100011215890 [0,1,0,1,0,0|2,0,0]=4 20719 B12R1.900 CCOCCC(=O)NC1(CC1)C 11a_100000757604_100000749530 [0,1,0,1,0,0|2,0,0]=4 20720 B12R1.900 CCOCCC(=O)NC1(CC1)C 1626a_100000757604_100000749530 [0,1,0,1,0,0|2,0,0]=4 20721 B12R1.900 CCOCCC(=O)NC1(CC1)C 240690a_100000757604_100000749530 [0,1,0,1,0,0|2,0,0]=4 20722 B12R1.900 CCOCCC(=O)NC1(CC1)C 527a_100000757604_100000749530 [0,1,0,1,0,0|2,0,0]=4 20723 B12R1.900 CCSCCC(=O)CC1(CC1)C 1458a_100000112800_100000757381 [0,1,0,1,0,0|2,0,0]=4 20724 B12R1.900 CCSCCC(=O)NC1(CC1)C 11a_100000757604_100000230768 [0,1,0,1,0,0|2,0,0]=4 20725 B12R1.900 CCSCCC(=O)NC1(CC1)C 1626a_100000757604_100000230768 [0,1,0,1,0,0|2,0,0]=4 20726 B12R1.900 CCSCCC(=O)NC1(CC1)C 240690a_100000757604_100000230768 [0,1,0,1,0,0|2,0,0]=4 20727 B12R1.900 CCSCCC(=O)NC1(CC1)C 527a_100000757604_100000230768 [0,1,0,1,0,0|2,0,0]=4 20728 B12R1.900 COCCCC(=O)CC1(CC1)C 1458a_100000112800_100000740836 [0,1,0,1,0,0|2,0,0]=4 20729 B12R1.900 COCCCC(=O)NC1(CC1)C 11a_100000757604_100000741012 [0,1,0,1,0,0|2,0,0]=4 20730 B12R1.900 COCCCC(=O)NC1(CC1)C 1626a_100000757604_100000741012 [0,1,0,1,0,0|2,0,0]=4 20731 B12R1.900 COCCCC(=O)NC1(CC1)C 240690a_100000757604_100000741012 [0,1,0,1,0,0|2,0,0]=4 20732 B12R1.900 COCCCC(=O)NC1(CC1)C 527a_100000757604_100000741012 [0,1,0,1,0,0|2,0,0]=4 20733 B12R1.900 CSCCCC(=O)NC1(CC1)C 11a_100000757604_100000173376 [0,1,0,1,0,0|2,0,0]=4 20734 B12R1.900 CSCCCC(=O)NC1(CC1)C 1626a_100000757604_100000173376 [0,1,0,1,0,0|2,0,0]=4 20735 B12R1.900 CSCCCC(=O)NC1(CC1)C 240690a_100000757604_100000173376 [0,1,0,1,0,0|2,0,0]=4 20736 B12R1.900 CSCCCC(=O)NC1(CC1)C 527a_100000757604_100000173376 [0,1,0,1,0,0|2,0,0]=4 20737 B12R1.1748 CCC(C)OC1CCCCCC1 34a_100000210887_100011215416 [0,1,0,1,0,0|1,0,1]=4 20738 B12R1.1748 CCC(C)OC1CCCCCC1 7a_100000210887_100000758301 [0,1,0,1,0,0|1,0,1]=4 20739 B12R1.1940 CCC(=O)CC(=O)C1CC1CC 1458a_200011661523_100000747405 [0,1,0,1,0,0|1,0,1]=4 20740 B12R1.1940 CCC(C)CC(=O)C1CC1CC 1458a_200011661523_100000748023 [0,1,0,1,0,0|1,0,0]=3 20741 B12R1.1940 CCC(C)NC(=O)C1CC1CC 11a_100000209981_200011661523 [0,1,0,1,0,0|1,0,0]=3 20742 B12R1.1940 CCC(C)NC(=O)C1CC1CC 1626a_100000209981_200011661523 [0,1,0,1,0,0|1,0,0]=3 20743 B12R1.1940 CCC(C)NC(=O)C1CC1CC 240690a_100000209981_200011661523 [0,1,0,1,0,0|1,0,0]=3 20744 B12R1.1940 CCC(C)NC(=O)C1CC1CC 527a_100000209981_200011661523 [0,1,0,1,0,0|1,0,0]=3 20745 B12R1.1940 CCC(O)CC(=O)C1CC1CC 1458a_200011661523_100011218378 [0,1,0,1,0,0|1,0,0]=3 20746 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CC 1458a_200011661523_100009816398 [0,1,0,1,0,0|1,0,0]=3 20747 B12R1.1940 CCC1CC1C(=O)C[C@@H](C)CO 1458a_200011661523_100000059175 [0,1,0,1,0,0|2,0,0]=4 20748 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 11a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 20749 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 1626a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 20750 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 240690a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 20751 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CF 527a_100102880703_200011661523 [0,1,0,1,0,0|2,0,0]=4 20752 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CO 240690a_100000737577_200011661523 [0,1,0,1,0,0|2,0,0]=4 20753 B12R1.1940 CCC1CC1C(=O)N[C@H](C)CO 527a_100000737577_200011661523 [0,1,0,1,0,0|2,0,0]=4 20754 B12R1.3524 CCC(C)OC1(CCCCC1)C 34a_100011215885_100011215416 [0,1,0,1,0,0|1,0,1]=4 20755 B12R1.3524 CCC(C)OC1(CCCCC1)C 7a_100011215885_100000758301 [0,1,0,1,0,0|1,0,1]=4 20756 B12R1.55 CC(CCO)C(=O)C1CCCC1 1458a_100000210718_100009893172 [0,1,0,1,0,0|2,0,0]=4 20757 B12R1.55 CC/C=C(\C)/C(=O)C1CCCC1 1458a_100016988807_100000179811 [0,1,0,1,0,0|1,0,1]=4 20758 B12R1.55 CCCC(C)C(=O)C1CCCC1 1458a_100000210718_100000766640 [0,1,0,1,0,0|1,0,0]=3 20759 B12R1.55 CCCC(C)C(=O)C1CCCC1 1458a_100000210906_100000179811 [0,1,0,1,0,0|1,0,0]=3 20760 B12R1.55 CCCC(C)C(=O)C1CCCS1 1458a_100012002731_100000766640 [0,1,0,1,0,0|2,0,0]=4 20761 B12R1.55 CCCC(C)C(=O)C1CCOC1 1458a_100000210906_100000690089 [0,1,0,1,0,0|2,0,0]=4 20762 B12R1.55 CCCC(C)C(=O)C1CCOC1 1458a_100011219752_100000766640 [0,1,0,1,0,0|2,0,0]=4 20763 B12R1.55 CCCC(C)C(=O)N1CCCC1 240690a_100000188435_100000210906 [0,1,0,1,0,0|2,0,0]=4 20764 B12R1.55 CCCC(C)C(=O)N1CCCC1 527a_100000188435_100000210906 [0,1,0,1,0,0|2,0,0]=4 20765 B12R1.55 CCCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000766640 [0,1,0,1,0,0|2,0,0]=4 20766 B12R1.55 CCCN(C)C(=O)C1CCCC1 11a_100000747261_100000210718 [0,1,0,1,0,0|1,0,0]=3 20767 B12R1.55 CCCN(C)C(=O)C1CCCC1 1626a_100000747261_100000210718 [0,1,0,1,0,0|1,0,0]=3 20768 B12R1.55 CCCN(C)C(=O)C1CCCC1 240690a_100000747261_100000210718 [0,1,0,1,0,0|1,0,0]=3 20769 B12R1.55 CCCN(C)C(=O)C1CCCC1 527a_100000747261_100000210718 [0,1,0,1,0,0|1,0,0]=3 20770 B12R1.55 CCCN(C)C(=O)C1CCCS1 11a_100000747261_100012002731 [0,1,0,1,0,0|2,0,0]=4 20771 B12R1.55 CCCN(C)C(=O)C1CCCS1 1626a_100000747261_100012002731 [0,1,0,1,0,0|2,0,0]=4 20772 B12R1.55 CCCN(C)C(=O)C1CCCS1 240690a_100000747261_100012002731 [0,1,0,1,0,0|2,0,0]=4 20773 B12R1.55 CCCN(C)C(=O)C1CCCS1 527a_100000747261_100012002731 [0,1,0,1,0,0|2,0,0]=4 20774 B12R1.55 CCCN(C)C(=O)C1CCOC1 11a_100000747261_100011219752 [0,1,0,1,0,0|2,0,0]=4 20775 B12R1.55 CCCN(C)C(=O)C1CCOC1 1626a_100000747261_100011219752 [0,1,0,1,0,0|2,0,0]=4 20776 B12R1.55 CCCN(C)C(=O)C1CCOC1 240690a_100000747261_100011219752 [0,1,0,1,0,0|2,0,0]=4 20777 B12R1.55 CCCN(C)C(=O)C1CCOC1 527a_100000747261_100011219752 [0,1,0,1,0,0|2,0,0]=4 20778 B12R1.55 CCCN(C)C(=O)[C@@H]1CCCO1 11a_100000747261_100000686382 [0,1,0,1,0,0|2,0,0]=4 20779 B12R1.55 CCCN(C)C(=O)[C@@H]1CCCO1 1626a_100000747261_100000686382 [0,1,0,1,0,0|2,0,0]=4 20780 B12R1.55 CCCN(C)C(=O)[C@@H]1CCCO1 240690a_100000747261_100000686382 [0,1,0,1,0,0|2,0,0]=4 20781 B12R1.55 CCCN(C)C(=O)[C@@H]1CCCO1 527a_100000747261_100000686382 [0,1,0,1,0,0|2,0,0]=4 20782 B12R1.55 CCC[C@H](O)C(=O)C1CCCC1 1458a_100009822183_100000179811 [0,1,0,1,0,0|1,0,0]=3 20783 B12R1.55 CCC[C@H](O)C(=O)C1CCOC1 1458a_100009822183_100000690089 [0,1,0,1,0,0|2,0,0]=4 20784 B12R1.55 CCC[C@H](O)C(=O)N1CCCC1 240690a_100000188435_100009822183 [0,1,0,1,0,0|2,0,0]=4 20785 B12R1.55 CCNC(=O)C(=O)C1CCCC1 1458a_200011297158_100000179811 [0,1,0,1,0,0|2,0,0]=4 20786 B12R1.55 CCOC(C)C(=O)C1CCCC1 1458a_100000739345_100000179811 [0,1,0,1,0,0|2,0,0]=4 20787 B12R1.55 CCSC(C)C(=O)C1CCCC1 1458a_100000230601_100000179811 [0,1,0,1,0,0|2,0,0]=4 20788 B12R1.55 CN(CCO)C(=O)C1CCCC1 240690a_100000210263_100000210718 [0,1,0,1,0,0|2,0,0]=4 20789 B12R1.55 CN(CCO)C(=O)C1CCCC1 527a_100000210263_100000210718 [0,1,0,1,0,0|2,0,0]=4 20790 B12R1.55 COCC(C)C(=O)C1CCCC1 1458a_100000210718_100000765312 [0,1,0,1,0,0|2,0,0]=4 20791 B12R1.55 COCC(C)C(=O)C1CCCC1 1458a_100000751857_100000179811 [0,1,0,1,0,0|2,0,0]=4 20792 B12R1.55 CSCC(C)C(=O)C1CCCC1 1458a_100000753918_100000179811 [0,1,0,1,0,0|2,0,0]=4 20793 B12R1.553 CCC1CC1C(=O)C(C)CCO 1458a_200011661523_100009893172 [0,1,0,1,0,0|2,0,0]=4 20794 B12R1.553 CCC1CC1C(=O)C(C)COC 1458a_200011661523_100000765312 [0,1,0,1,0,0|2,0,0]=4 20795 B12R1.553 CCC1CC1C(=O)N(C)CCO 240690a_100000210263_200011661523 [0,1,0,1,0,0|2,0,0]=4 20796 B12R1.553 CCC1CC1C(=O)N(C)CCO 527a_100000210263_200011661523 [0,1,0,1,0,0|2,0,0]=4 20797 B12R1.553 CCCC(C)C(=O)C1CC1CC 1458a_200011661523_100000766640 [0,1,0,1,0,0|1,0,0]=3 20798 B12R1.553 CCCN(C)C(=O)C1CC1CC 11a_100000747261_200011661523 [0,1,0,1,0,0|1,0,0]=3 20799 B12R1.553 CCCN(C)C(=O)C1CC1CC 1626a_100000747261_200011661523 [0,1,0,1,0,0|1,0,0]=3 20800 B12R1.553 CCCN(C)C(=O)C1CC1CC 240690a_100000747261_200011661523 [0,1,0,1,0,0|1,0,0]=3 20801 B12R1.553 CCCN(C)C(=O)C1CC1CC 527a_100000747261_200011661523 [0,1,0,1,0,0|1,0,0]=3 20802 B12R1.555 CC(CCO)C(=O)CC1CCC1 1458a_100000763092_100009893172 [0,1,0,1,0,0|2,0,0]=4 20803 B12R1.555 CC/C=C(\C)/C(=O)CC1CCC1 1458a_100016988807_100000763275 [0,1,0,1,0,0|1,0,1]=4 20804 B12R1.555 CCCC(C)C(=O)CC1CCC1 1458a_100000210906_100000763275 [0,1,0,1,0,0|1,0,0]=3 20805 B12R1.555 CCCC(C)C(=O)CC1CCC1 1458a_100000763092_100000766640 [0,1,0,1,0,0|1,0,0]=3 20806 B12R1.555 CCCC(C)C(=O)CC1CCO1 1458a_100000210906_100000103362 [0,1,0,1,0,0|2,0,0]=4 20807 B12R1.555 CCCC(C)C(=O)CC1COC1 1458a_100000210906_100010264016 [0,1,0,1,0,0|2,0,0]=4 20808 B12R1.555 CCCC(C)C(=O)CC1COC1 1458a_100000687760_100000766640 [0,1,0,1,0,0|2,0,0]=4 20809 B12R1.555 CCCC(C)C(=O)NC1CCC1 11a_100000749019_100000210906 [0,1,0,1,0,0|2,0,0]=4 20810 B12R1.555 CCCC(C)C(=O)NC1CCC1 1626a_100000749019_100000210906 [0,1,0,1,0,0|2,0,0]=4 20811 B12R1.555 CCCC(C)C(=O)NC1CCC1 240690a_100000749019_100000210906 [0,1,0,1,0,0|2,0,0]=4 20812 B12R1.555 CCCC(C)C(=O)NC1CCC1 527a_100000749019_100000210906 [0,1,0,1,0,0|2,0,0]=4 20813 B12R1.555 CCCN(C)C(=O)CC1CCC1 11a_100000747261_100000763092 [0,1,0,1,0,0|1,0,0]=3 20814 B12R1.555 CCCN(C)C(=O)CC1CCC1 1626a_100000747261_100000763092 [0,1,0,1,0,0|1,0,0]=3 20815 B12R1.555 CCCN(C)C(=O)CC1CCC1 240690a_100000747261_100000763092 [0,1,0,1,0,0|1,0,0]=3 20816 B12R1.555 CCCN(C)C(=O)CC1CCC1 527a_100000747261_100000763092 [0,1,0,1,0,0|1,0,0]=3 20817 B12R1.555 CCCN(C)C(=O)CC1COC1 11a_100000747261_100000687760 [0,1,0,1,0,0|2,0,0]=4 20818 B12R1.555 CCCN(C)C(=O)CC1COC1 1626a_100000747261_100000687760 [0,1,0,1,0,0|2,0,0]=4 20819 B12R1.555 CCCN(C)C(=O)NC1CCC1 273464a_100000749019_100000747261 [0,1,0,1,0,0|2,0,0]=4 20820 B12R1.555 CCC[C@H](O)C(=O)CC1CCC1 1458a_100009822183_100000763275 [0,1,0,1,0,0|1,0,0]=3 20821 B12R1.555 CCC[C@H](O)C(=O)CC1CCO1 1458a_100009822183_100000103362 [0,1,0,1,0,0|2,0,0]=4 20822 B12R1.555 CCC[C@H](O)C(=O)CC1COC1 1458a_100009822183_100010264016 [0,1,0,1,0,0|2,0,0]=4 20823 B12R1.555 CCC[C@H](O)C(=O)NC1CCC1 240690a_100000749019_100009822183 [0,1,0,1,0,0|2,0,0]=4 20824 B12R1.555 CCNC(=O)C(=O)CC1CCC1 1458a_200011297158_100000763275 [0,1,0,1,0,0|2,0,0]=4 20825 B12R1.555 CCOC(C)C(=O)CC1CCC1 1458a_100000739345_100000763275 [0,1,0,1,0,0|2,0,0]=4 20826 B12R1.555 CCSC(C)C(=O)CC1CCC1 1458a_100000230601_100000763275 [0,1,0,1,0,0|2,0,0]=4 20827 B12R1.555 CN(CCO)C(=O)CC1CCC1 240690a_100000210263_100000763092 [0,1,0,1,0,0|2,0,0]=4 20828 B12R1.555 CN(CCO)C(=O)CC1CCC1 527a_100000210263_100000763092 [0,1,0,1,0,0|2,0,0]=4 20829 B12R1.555 COCC(C)C(=O)CC1CCC1 1458a_100000751857_100000763275 [0,1,0,1,0,0|2,0,0]=4 20830 B12R1.555 COCC(C)C(=O)CC1CCC1 1458a_100000763092_100000765312 [0,1,0,1,0,0|2,0,0]=4 20831 B12R1.555 CSCC(C)C(=O)CC1CCC1 1458a_100000753918_100000763275 [0,1,0,1,0,0|2,0,0]=4 20832 B12R1.556 CC(CCO)C(=O)CCC1CC1 1458a_100000756386_100009893172 [0,1,0,1,0,0|2,0,0]=4 20833 B12R1.556 CC/C=C(\C)/C(=O)CCC1CC1 1458a_100016988807_100000694398 [0,1,0,1,0,0|1,0,1]=4 20834 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000210906_100000694398 [0,1,0,1,0,0|1,0,0]=3 20835 B12R1.556 CCCC(C)C(=O)CCC1CC1 1458a_100000756386_100000766640 [0,1,0,1,0,0|1,0,0]=3 20836 B12R1.556 CCCC(C)C(=O)CCC1CO1 1458a_100000210906_100000732470 [0,1,0,1,0,0|2,0,0]=4 20837 B12R1.556 CCCC(C)C(=O)NCC1CC1 11a_100000735609_100000210906 [0,1,0,1,0,0|2,0,0]=4 20838 B12R1.556 CCCC(C)C(=O)NCC1CC1 1626a_100000735609_100000210906 [0,1,0,1,0,0|2,0,0]=4 20839 B12R1.556 CCCC(C)C(=O)NCC1CC1 240690a_100000735609_100000210906 [0,1,0,1,0,0|2,0,0]=4 20840 B12R1.556 CCCC(C)C(=O)NCC1CC1 527a_100000735609_100000210906 [0,1,0,1,0,0|2,0,0]=4 20841 B12R1.556 CCCN(C)C(=O)CCC1CC1 11a_100000747261_100000756386 [0,1,0,1,0,0|1,0,0]=3 20842 B12R1.556 CCCN(C)C(=O)CCC1CC1 1626a_100000747261_100000756386 [0,1,0,1,0,0|1,0,0]=3 20843 B12R1.556 CCCN(C)C(=O)CCC1CC1 240690a_100000747261_100000756386 [0,1,0,1,0,0|1,0,0]=3 20844 B12R1.556 CCCN(C)C(=O)CCC1CC1 527a_100000747261_100000756386 [0,1,0,1,0,0|1,0,0]=3 20845 B12R1.556 CCCN(C)C(=O)NCC1CC1 2708a_100000735609_100000747261 [0,1,0,1,0,0|2,0,0]=4 20846 B12R1.556 CCCN(C)C(=O)NCC1CC1 273464a_100000735609_100000747261 [0,1,0,1,0,0|2,0,0]=4 20847 B12R1.556 CCC[C@H](O)C(=O)CCC1CC1 1458a_100009822183_100000694398 [0,1,0,1,0,0|1,0,0]=3 20848 B12R1.556 CCC[C@H](O)C(=O)CCC1CO1 1458a_100009822183_100000732470 [0,1,0,1,0,0|2,0,0]=4 20849 B12R1.556 CCC[C@H](O)C(=O)NCC1CC1 240690a_100000735609_100009822183 [0,1,0,1,0,0|2,0,0]=4 20850 B12R1.556 CCNC(=O)C(=O)CCC1CC1 1458a_200011297158_100000694398 [0,1,0,1,0,0|2,0,0]=4 20851 B12R1.556 CCOC(C)C(=O)CCC1CC1 1458a_100000739345_100000694398 [0,1,0,1,0,0|2,0,0]=4 20852 B12R1.556 CCSC(C)C(=O)CCC1CC1 1458a_100000230601_100000694398 [0,1,0,1,0,0|2,0,0]=4 20853 B12R1.556 CN(CCO)C(=O)CCC1CC1 240690a_100000210263_100000756386 [0,1,0,1,0,0|2,0,0]=4 20854 B12R1.556 CN(CCO)C(=O)CCC1CC1 527a_100000210263_100000756386 [0,1,0,1,0,0|2,0,0]=4 20855 B12R1.556 COCC(C)C(=O)CCC1CC1 1458a_100000751857_100000694398 [0,1,0,1,0,0|2,0,0]=4 20856 B12R1.556 COCC(C)C(=O)CCC1CC1 1458a_100000756386_100000765312 [0,1,0,1,0,0|2,0,0]=4 20857 B12R1.556 CSCC(C)C(=O)CCC1CC1 1458a_100000753918_100000694398 [0,1,0,1,0,0|2,0,0]=4 20858 B12R1.557 CCCC(C)C(=O)N1CCC1C 11a_100000755817_100000210906 [0,1,0,1,0,0|2,0,0]=4 20859 B12R1.557 CCCC(C)C(=O)N1CCC1C 240690a_100000755817_100000210906 [0,1,0,1,0,0|2,0,0]=4 20860 B12R1.557 CCCC(C)C(=O)N1CCC1C 527a_100000755817_100000210906 [0,1,0,1,0,0|2,0,0]=4 20861 B12R1.557 CCC[C@H](O)C(=O)N1CCC1C 240690a_100000755817_100009822183 [0,1,0,1,0,0|2,0,0]=4 20862 B12R1.689 CCCCCC(=O)N(C)C1CC1 11a_100000226674_100000212188 [0,1,0,1,0,0|1,0,0]=3 20863 B12R1.689 CCCCCC(=O)N(C)C1CC1 1626a_100000226674_100000212188 [0,1,0,1,0,0|1,0,0]=3 20864 B12R1.689 CCCCCC(=O)N(C)C1CC1 240690a_100000226674_100000212188 [0,1,0,1,0,0|1,0,0]=3 20865 B12R1.689 CCCCCC(=O)N(C)C1CC1 527a_100000226674_100000212188 [0,1,0,1,0,0|1,0,0]=3 20866 B12R1.689 CCCCNC(=O)N(C)C1CC1 2708a_100000102301_100000226674 [0,1,0,1,0,0|2,0,0]=4 20867 B12R1.689 CCCCNC(=O)N(C)C1CC1 273464a_100000102301_100000226674 [0,1,0,1,0,0|2,0,0]=4 20868 B12R1.689 CCCOCC(=O)N(C)C1CC1 11a_100000226674_100000745993 [0,1,0,1,0,0|2,0,0]=4 20869 B12R1.689 CCCOCC(=O)N(C)C1CC1 1626a_100000226674_100000745993 [0,1,0,1,0,0|2,0,0]=4 20870 B12R1.689 CCCOCC(=O)N(C)C1CC1 240690a_100000226674_100000745993 [0,1,0,1,0,0|2,0,0]=4 20871 B12R1.689 CCCOCC(=O)N(C)C1CC1 527a_100000226674_100000745993 [0,1,0,1,0,0|2,0,0]=4 20872 B12R1.689 CCCSCC(=O)N(C)C1CC1 11a_100000226674_100000217233 [0,1,0,1,0,0|2,0,0]=4 20873 B12R1.689 CCCSCC(=O)N(C)C1CC1 1626a_100000226674_100000217233 [0,1,0,1,0,0|2,0,0]=4 20874 B12R1.689 CCCSCC(=O)N(C)C1CC1 240690a_100000226674_100000217233 [0,1,0,1,0,0|2,0,0]=4 20875 B12R1.689 CCCSCC(=O)N(C)C1CC1 527a_100000226674_100000217233 [0,1,0,1,0,0|2,0,0]=4 20876 B12R1.689 CCOCCC(=O)N(C)C1CC1 11a_100000226674_100000749530 [0,1,0,1,0,0|2,0,0]=4 20877 B12R1.689 CCOCCC(=O)N(C)C1CC1 1626a_100000226674_100000749530 [0,1,0,1,0,0|2,0,0]=4 20878 B12R1.689 CCOCCC(=O)N(C)C1CC1 240690a_100000226674_100000749530 [0,1,0,1,0,0|2,0,0]=4 20879 B12R1.689 CCOCCC(=O)N(C)C1CC1 527a_100000226674_100000749530 [0,1,0,1,0,0|2,0,0]=4 20880 B12R1.689 CCSCCC(=O)N(C)C1CC1 11a_100000226674_100000230768 [0,1,0,1,0,0|2,0,0]=4 20881 B12R1.689 CCSCCC(=O)N(C)C1CC1 1626a_100000226674_100000230768 [0,1,0,1,0,0|2,0,0]=4 20882 B12R1.689 CCSCCC(=O)N(C)C1CC1 240690a_100000226674_100000230768 [0,1,0,1,0,0|2,0,0]=4 20883 B12R1.689 CCSCCC(=O)N(C)C1CC1 527a_100000226674_100000230768 [0,1,0,1,0,0|2,0,0]=4 20884 B12R1.689 CN(C(=O)CCCCO)C1CC1 1626a_100000226674_100000695505 [0,1,0,1,0,0|2,0,0]=4 20885 B12R1.689 COCCCC(=O)N(C)C1CC1 11a_100000226674_100000741012 [0,1,0,1,0,0|2,0,0]=4 20886 B12R1.689 COCCCC(=O)N(C)C1CC1 1626a_100000226674_100000741012 [0,1,0,1,0,0|2,0,0]=4 20887 B12R1.689 COCCCC(=O)N(C)C1CC1 240690a_100000226674_100000741012 [0,1,0,1,0,0|2,0,0]=4 20888 B12R1.689 COCCCC(=O)N(C)C1CC1 527a_100000226674_100000741012 [0,1,0,1,0,0|2,0,0]=4 20889 B12R1.689 CSCCCC(=O)N(C)C1CC1 11a_100000226674_100000173376 [0,1,0,1,0,0|2,0,0]=4 20890 B12R1.689 CSCCCC(=O)N(C)C1CC1 1626a_100000226674_100000173376 [0,1,0,1,0,0|2,0,0]=4 20891 B12R1.689 CSCCCC(=O)N(C)C1CC1 240690a_100000226674_100000173376 [0,1,0,1,0,0|2,0,0]=4 20892 B12R1.689 CSCCCC(=O)N(C)C1CC1 527a_100000226674_100000173376 [0,1,0,1,0,0|2,0,0]=4 20893 B12R1.1123 CCCN1CC(=O)N(C[C@@H]1C)C 2230a_100016994881_100000210303 [0,1,0,1,0,0|2,0,0]=4 20894 B12R1.1123 CCCN1CC(=O)N(C[C@@H]1C)C 269982a_100016994881_100000210303 [0,1,0,1,0,0|2,0,0]=4 20895 B12R1.1123 CCCN1CC(=O)N(C[C@@H]1C)C 34a_100016994881_100000210303 [0,1,0,1,0,0|2,0,0]=4 20896 B12R1.1445 CCCN1CCCN(C(=O)C1)C 2230a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 20897 B12R1.1445 CCCN1CCCN(C(=O)C1)C 269982a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 20898 B12R1.1445 CCCN1CCCN(C(=O)C1)C 34a_100000709885_100000210303 [0,1,0,1,0,0|2,0,0]=4 20899 B12R1.2133 CC1(CCC1)C(=O)CCCCF 1458a_100000684636_100000729493 [0,1,0,1,0,0|2,0,0]=4 20900 B12R1.2133 CC1(CCC1)C(=O)CCCCO 1458a_100000684636_100000210776 [0,1,0,1,0,0|2,0,0]=4 20901 B12R1.2133 CCCCCC(=O)C1(CCC1)C 1458a_100000684636_100000210326 [0,1,0,1,0,0|1,0,0]=3 20902 B12R1.2133 CCCCCC(=O)C1(CCC1)O 1458a_100000242746_100000210326 [0,1,0,1,0,0|1,0,0]=3 20903 B12R1.2133 CCCCCC(=O)C1(COC1)C 1458a_100000094709_100000210326 [0,1,0,1,0,0|2,0,0]=4 20904 B12R1.2133 CCCCCC(=O)C1(COC1)O 1458a_100010273515_100000210326 [0,1,0,1,0,0|2,0,0]=4 20905 B12R1.2133 CCCCNC(=O)C1(CCC1)C 11a_100000102301_100000684636 [0,1,0,1,0,0|2,0,0]=4 20906 B12R1.2133 CCCCNC(=O)C1(CCC1)C 1626a_100000102301_100000684636 [0,1,0,1,0,0|2,0,0]=4 20907 B12R1.2133 CCCCNC(=O)C1(CCC1)C 240690a_100000102301_100000684636 [0,1,0,1,0,0|2,0,0]=4 20908 B12R1.2133 CCCCNC(=O)C1(CCC1)C 527a_100000102301_100000684636 [0,1,0,1,0,0|2,0,0]=4 20909 B12R1.2133 CCCCNC(=O)C1(CCC1)O 240690a_100000102301_100000242746 [0,1,0,1,0,0|2,0,0]=4 20910 B12R1.2133 CCOCCC(=O)C1(CCC1)C 1458a_100000684636_100011215890 [0,1,0,1,0,0|2,0,0]=4 20911 B12R1.2133 CCOCCC(=O)C1(CCC1)O 1458a_100000242746_100011215890 [0,1,0,1,0,0|2,0,0]=4 20912 B12R1.2133 CCSCCC(=O)C1(CCC1)C 1458a_100000684636_100000757381 [0,1,0,1,0,0|2,0,0]=4 20913 B12R1.2133 CCSCCC(=O)C1(CCC1)O 1458a_100000242746_100000757381 [0,1,0,1,0,0|2,0,0]=4 20914 B12R1.2133 COCCCC(=O)C1(CCC1)C 1458a_100000684636_100000740836 [0,1,0,1,0,0|2,0,0]=4 20915 B12R1.2133 COCCCC(=O)C1(CCC1)O 1458a_100000242746_100000740836 [0,1,0,1,0,0|2,0,0]=4 20916 B12R1.2133 O=C(CCCCF)C1(CCC1)O 1458a_100000242746_100000729493 [0,1,0,1,0,0|2,0,0]=4 20917 B12R1.2133 O=C(CCCCO)C1(CCC1)O 1458a_100000242746_100000210776 [0,1,0,1,0,0|2,0,0]=4 20918 B12R1.99 CCCNS(=O)(=O)C1CCCC1 270084a_100020643023_100000748936 [0,1,0,1,0,0|2,0,0]=4 20919 B12R1.99 CCCNS(=O)(=O)C1CCCC1 274078a_100020643023_100000748936 [0,1,0,1,0,0|2,0,0]=4 20920 B12R1.99 CCCOC(C)(C)C1CCCC1 34a_100000745555_100000210303 [0,1,0,1,0,0|1,0,1]=4 20921 B12R1.99 CCCOC(C)(C)C1CCCC1 7a_100000745555_100000210303 [0,1,0,1,0,0|1,0,1]=4 20922 B12R1.581 CCCCCS(=O)(=O)N1CCC1 270084a_100000754969_100000753860 [0,1,0,1,0,0|2,0,0]=4 20923 B12R1.581 CCCCCS(=O)(=O)N1CCC1 274078a_100000754969_100000753860 [0,1,0,1,0,0|2,0,0]=4 20924 B12R1.583 CCCCCS(=O)(=O)NC1CC1 270084a_100000212008_100000753860 [0,1,0,1,0,0|2,0,0]=4 20925 B12R1.583 CCCCCS(=O)(=O)NC1CC1 274078a_100000212008_100000753860 [0,1,0,1,0,0|2,0,0]=4 20926 B12R2.225 O=C1CCCCC1NC2CC2 34a_100000212008_100000754470 [0,0,0,2,0,0|2,0,0]=4 20927 B12R2.225 O=C1CCCCC1OC2CC2 34a_100011214950_100000211595 [0,0,0,2,0,0|2,0,0]=4 20928 B12R2.225 O=C1CCCCC1SC2CC2 62a_100000204591_100000211595 [0,0,0,2,0,0|2,0,0]=4 20929 B12R2.225 O=C1NCCCC1NC2CC2 34a_100000212008_100000687798 [0,0,0,2,0,0|2,0,0]=4 20930 B12R2.225 O=C1NCCCC1NC2CC2 34a_100000747585_100000211595 [0,0,0,2,0,0|2,0,0]=4 20931 B12R2.225 O=C1NCCCC1OC2CC2 34a_100000073722_100000211595 [0,0,0,2,0,0|2,0,0]=4 20932 B12R2.225 O=C1NCCCC1SC2CC2 62a_100000687798_100000211595 [0,0,0,2,0,0|2,0,0]=4 20933 B12R2.517 O=C1CCCCC1N2CCC2 269982a_100000754969_100000204591 [0,0,0,2,0,0|2,0,0]=4 20934 B12R2.517 O=C1NCCCC1N2CCC2 269982a_100000754969_100000687798 [0,0,0,2,0,0|2,0,0]=4 20935 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000210258_100000727232 [0,0,0,2,0,0|1,0,1]=4 20936 B12R2.2336 CCCOC1CC2CCC1C2 34a_100000211339_100000210303 [0,0,0,2,0,0|1,0,1]=4 20937 B12R2.612 CN1CCN2C(=O)OCC2C1 2230a_100000689011_200000210301 [0,0,0,2,0,0|2,0,0]=4 20938 B12R2.612 CN1CCN2C(=O)OCC2C1 269982a_100000689011_200000210301 [0,0,0,2,0,0|2,0,0]=4 20939 B12R2.612 [13CH3]N1CCN2C(=O)OCC2C1 2230a_100000689011_200025704644 [0,0,0,2,0,0|2,0,0]=4 20940 B12R2.612 [13CH3]N1CCN2C(=O)OCC2C1 269982a_100000689011_200025704644 [0,0,0,2,0,0|2,0,0]=4 20941 B12R2.1286 CC1CCCC(C1)OC2CC2 34a_100000211399_100000211595 [0,0,0,2,0,0|1,0,1]=4 20942 B12R2.102 CC1CC1C(=O)C2CCCC2 1458a_100000211227_100000179811 [0,0,0,2,0,0|1,0,0]=3 20943 B12R2.102 CC1CC1C(=O)C2CCOC2 1458a_100000211227_100000690089 [0,0,0,2,0,0|2,0,0]=4 20944 B12R2.102 CC1CC1C(=O)N2CCCC2 527a_100000188435_100000211227 [0,0,0,2,0,0|2,0,0]=4 20945 B12R2.102 O=C(C1CCCC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000179811 [0,0,0,2,0,0|2,0,0]=4 20946 B12R2.2074 CC(OC1CC1)C2CCCC2 34a_100011216366_100000211595 [0,0,0,2,0,0|1,0,1]=4 20947 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000210718_100000742324 [0,0,0,2,0,0|1,0,0]=3 20948 B12R2.2074 O=C(CC1CC1)C2CCCC2 1458a_100000738066_100000179811 [0,0,0,2,0,0|1,0,0]=3 20949 B12R2.2074 O=C(CC1CC1)C2CCCS2 1458a_100012002731_100000742324 [0,0,0,2,0,0|2,0,0]=4 20950 B12R2.2074 O=C(CC1CC1)C2CCOC2 1458a_100000738066_100000690089 [0,0,0,2,0,0|2,0,0]=4 20951 B12R2.2074 O=C(CC1CC1)C2CCOC2 1458a_100011219752_100000742324 [0,0,0,2,0,0|2,0,0]=4 20952 B12R2.2074 O=C(CC1CC1)N2CCCC2 240690a_100000188435_100000738066 [0,0,0,2,0,0|2,0,0]=4 20953 B12R2.2074 O=C(CC1CC1)N2CCCC2 527a_100000188435_100000738066 [0,0,0,2,0,0|2,0,0]=4 20954 B12R2.2074 O=C(CC1CC1)[C@@H]2CCCO2 1458a_100000686382_100000742324 [0,0,0,2,0,0|2,0,0]=4 20955 B12R2.2074 O=C(CC1CO1)C2CCCC2 1458a_100000210718_100011216344 [0,0,0,2,0,0|2,0,0]=4 20956 B12R2.2074 O=C(CC1CS1)C2CCCC2 1458a_100000210718_100000031435 [0,0,0,2,0,0|2,0,0]=4 20957 B12R2.2074 O=C(C[C@@H]1CO1)C2CCCC2 1458a_100000210718_100000745022 [0,0,0,2,0,0|2,0,0]=4 20958 B12R2.2074 O=C(NC1CC1)C2CCCC2 1626a_100000212008_100000210718 [0,0,0,2,0,0|1,0,0]=3 20959 B12R2.2074 O=C(NC1CC1)C2CCCC2 240690a_100000212008_100000210718 [0,0,0,2,0,0|1,0,0]=3 20960 B12R2.2074 O=C(NC1CC1)C2CCCC2 527a_100000212008_100000210718 [0,0,0,2,0,0|1,0,0]=3 20961 B12R2.2074 O=C(NC1CC1)C2CCCS2 1626a_100000212008_100012002731 [0,0,0,2,0,0|2,0,0]=4 20962 B12R2.2074 O=C(NC1CC1)C2CCCS2 240690a_100000212008_100012002731 [0,0,0,2,0,0|2,0,0]=4 20963 B12R2.2074 O=C(NC1CC1)C2CCCS2 527a_100000212008_100012002731 [0,0,0,2,0,0|2,0,0]=4 20964 B12R2.2074 O=C(NC1CC1)C2CCOC2 1626a_100000212008_100011219752 [0,0,0,2,0,0|2,0,0]=4 20965 B12R2.2074 O=C(NC1CC1)C2CCOC2 240690a_100000212008_100011219752 [0,0,0,2,0,0|2,0,0]=4 20966 B12R2.2074 O=C(NC1CC1)C2CCOC2 527a_100000212008_100011219752 [0,0,0,2,0,0|2,0,0]=4 20967 B12R2.2074 O=C(NC1CC1)N2CCCC2 2708a_100000212008_100000188435 [0,0,0,2,0,0|2,0,0]=4 20968 B12R2.2074 O=C(NC1CC1)N2CCCC2 273464a_100000212008_100000188435 [0,0,0,2,0,0|2,0,0]=4 20969 B12R2.2074 O=C(NC1CC1)[C@@H]2CCCO2 1626a_100000212008_100000686382 [0,0,0,2,0,0|2,0,0]=4 20970 B12R2.2074 O=C(NC1CC1)[C@@H]2CCCO2 240690a_100000212008_100000686382 [0,0,0,2,0,0|2,0,0]=4 20971 B12R2.2074 O=C(NC1CC1)[C@@H]2CCCO2 527a_100000212008_100000686382 [0,0,0,2,0,0|2,0,0]=4 20972 B12R2.2285 CCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_100000210202_200015607011 [0,0,0,2,0,0|2,0,0]=4 20973 B12R2.2285 CCSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_100000210202 [0,0,0,2,0,0|2,0,0]=4 20974 B12R2.3797 O=C(C1CCC1)C2CCCS2 1458a_100012002731_100000749161 [0,0,0,2,0,0|2,0,0]=4 20975 B12R2.3797 O=C(C1CCC1)C2CCOC2 1458a_100000209988_100000690089 [0,0,0,2,0,0|2,0,0]=4 20976 B12R2.3797 O=C(C1CCC1)C2CCOC2 1458a_100011219752_100000749161 [0,0,0,2,0,0|2,0,0]=4 20977 B12R2.3797 O=C(C1CCC1)N2CCCC2 240690a_100000188435_100000209988 [0,0,0,2,0,0|2,0,0]=4 20978 B12R2.3797 O=C(C1CCC1)N2CCCC2 527a_100000188435_100000209988 [0,0,0,2,0,0|2,0,0]=4 20979 B12R2.3797 O=C(C1CCC1)[C@@H]2CCCO2 1458a_100000686382_100000749161 [0,0,0,2,0,0|2,0,0]=4 20980 B12R2.3797 O=C(C1CCCC1)C2CCC2 1458a_100000209988_100000179811 [0,0,0,2,0,0|1,0,0]=3 20981 B12R2.3797 O=C(C1CCCC1)C2CCC2 1458a_100000210718_100000749161 [0,0,0,2,0,0|1,0,0]=3 20982 B12R2.3797 O=C(C1CCCC1)C2CCO2 1458a_100000089072_100000179811 [0,0,0,2,0,0|2,0,0]=4 20983 B12R2.3797 O=C(C1CCCC1)C2COC2 1458a_100000210718_100000687716 [0,0,0,2,0,0|2,0,0]=4 20984 B12R2.3797 O=C(C1CCCC1)C2COC2 1458a_100000758290_100000179811 [0,0,0,2,0,0|2,0,0]=4 20985 B12R2.3797 O=C(C1CCCC1)N2CCC2 11a_100000754969_100000210718 [0,0,0,2,0,0|1,0,0]=3 20986 B12R2.3797 O=C(C1CCCC1)N2CCC2 240690a_100000754969_100000210718 [0,0,0,2,0,0|1,0,0]=3 20987 B12R2.3797 O=C(C1CCCC1)N2CCC2 527a_100000754969_100000210718 [0,0,0,2,0,0|1,0,0]=3 20988 B12R2.3797 O=C(C1CCCS1)N2CCC2 11a_100000754969_100012002731 [0,0,0,2,0,0|2,0,0]=4 20989 B12R2.3797 O=C(C1CCCS1)N2CCC2 240690a_100000754969_100012002731 [0,0,0,2,0,0|2,0,0]=4 20990 B12R2.3797 O=C(C1CCCS1)N2CCC2 527a_100000754969_100012002731 [0,0,0,2,0,0|2,0,0]=4 20991 B12R2.3797 O=C(C1CCOC1)N2CCC2 11a_100000754969_100011219752 [0,0,0,2,0,0|2,0,0]=4 20992 B12R2.3797 O=C(C1CCOC1)N2CCC2 240690a_100000754969_100011219752 [0,0,0,2,0,0|2,0,0]=4 20993 B12R2.3797 O=C(C1CCOC1)N2CCC2 527a_100000754969_100011219752 [0,0,0,2,0,0|2,0,0]=4 20994 B12R2.3797 O=C([C@@H]1CCCO1)N2CCC2 11a_100000754969_100000686382 [0,0,0,2,0,0|2,0,0]=4 20995 B12R2.3797 O=C([C@@H]1CCCO1)N2CCC2 240690a_100000754969_100000686382 [0,0,0,2,0,0|2,0,0]=4 20996 B12R2.3797 O=C([C@@H]1CCCO1)N2CCC2 527a_100000754969_100000686382 [0,0,0,2,0,0|2,0,0]=4 20997 B12R2.3808 C1CCCC(CC1)OC2CC2 34a_100000210887_100000211595 [0,0,0,2,0,0|1,0,1]=4 20998 B12R2.1711 CCC1CC1C(=O)CC2CC2 1458a_200011661523_100000742324 [0,0,0,2,0,0|1,0,0]=3 20999 B12R2.1711 CCC1CC1C(=O)CC2CO2 1458a_200011661523_100011216344 [0,0,0,2,0,0|2,0,0]=4 21000 B12R2.1711 CCC1CC1C(=O)CC2CS2 1458a_200011661523_100000031435 [0,0,0,2,0,0|2,0,0]=4 21001 B12R2.1711 CCC1CC1C(=O)C[C@@H]2CO2 1458a_200011661523_100000745022 [0,0,0,2,0,0|2,0,0]=4 21002 B12R2.1711 CCC1CC1C(=O)NC2CC2 1626a_100000212008_200011661523 [0,0,0,2,0,0|1,0,0]=3 21003 B12R2.1711 CCC1CC1C(=O)NC2CC2 240690a_100000212008_200011661523 [0,0,0,2,0,0|1,0,0]=3 21004 B12R2.1711 CCC1CC1C(=O)NC2CC2 527a_100000212008_200011661523 [0,0,0,2,0,0|1,0,0]=3 21005 B12R2.3665 CCC1CC1C(=O)C2CCC2 1458a_200011661523_100000749161 [0,0,0,2,0,0|1,0,0]=3 21006 B12R2.3665 CCC1CC1C(=O)C2COC2 1458a_200011661523_100000687716 [0,0,0,2,0,0|2,0,0]=4 21007 B12R2.3665 CCC1CC1C(=O)N2CCC2 11a_100000754969_200011661523 [0,0,0,2,0,0|1,0,0]=3 21008 B12R2.3665 CCC1CC1C(=O)N2CCC2 240690a_100000754969_200011661523 [0,0,0,2,0,0|1,0,0]=3 21009 B12R2.3665 CCC1CC1C(=O)N2CCC2 527a_100000754969_200011661523 [0,0,0,2,0,0|1,0,0]=3 21010 B12R2.3281 O=C(CC1CCC1)C2CCC2 1458a_100000209988_100000763275 [0,0,0,2,0,0|1,0,0]=3 21011 B12R2.3281 O=C(CC1CCC1)C2CCC2 1458a_100000763092_100000749161 [0,0,0,2,0,0|1,0,0]=3 21012 B12R2.3281 O=C(CC1CCC1)C2CCO2 1458a_100000089072_100000763275 [0,0,0,2,0,0|2,0,0]=4 21013 B12R2.3281 O=C(CC1CCC1)C2COC2 1458a_100000758290_100000763275 [0,0,0,2,0,0|2,0,0]=4 21014 B12R2.3281 O=C(CC1CCC1)C2COC2 1458a_100000763092_100000687716 [0,0,0,2,0,0|2,0,0]=4 21015 B12R2.3281 O=C(CC1CCC1)N2CCC2 11a_100000754969_100000763092 [0,0,0,2,0,0|1,0,0]=3 21016 B12R2.3281 O=C(CC1CCC1)N2CCC2 240690a_100000754969_100000763092 [0,0,0,2,0,0|1,0,0]=3 21017 B12R2.3281 O=C(CC1CCC1)N2CCC2 527a_100000754969_100000763092 [0,0,0,2,0,0|1,0,0]=3 21018 B12R2.3281 O=C(CC1CCO1)C2CCC2 1458a_100000209988_100000103362 [0,0,0,2,0,0|2,0,0]=4 21019 B12R2.3281 O=C(CC1COC1)C2CCC2 1458a_100000209988_100010264016 [0,0,0,2,0,0|2,0,0]=4 21020 B12R2.3281 O=C(CC1COC1)C2CCC2 1458a_100000687760_100000749161 [0,0,0,2,0,0|2,0,0]=4 21021 B12R2.3281 O=C(CC1COC1)N2CCC2 11a_100000754969_100000687760 [0,0,0,2,0,0|2,0,0]=4 21022 B12R2.3281 O=C(CN1CCC1)C2CCC2 269982a_100000754969_100000686122 [0,0,0,2,0,0|2,0,0]=4 21023 B12R2.3281 O=C(CN1CCC1)N2CCC2 269982a_100000754969_100000185095 [0,0,0,2,0,0|2,0,0]=4 21024 B12R2.3281 O=C(NC1CCC1)C2CCC2 11a_100000749019_100000209988 [0,0,0,2,0,0|2,0,0]=4 21025 B12R2.3281 O=C(NC1CCC1)C2CCC2 1626a_100000749019_100000209988 [0,0,0,2,0,0|2,0,0]=4 21026 B12R2.3281 O=C(NC1CCC1)C2CCC2 240690a_100000749019_100000209988 [0,0,0,2,0,0|2,0,0]=4 21027 B12R2.3281 O=C(NC1CCC1)C2CCC2 527a_100000749019_100000209988 [0,0,0,2,0,0|2,0,0]=4 21028 B12R2.3281 O=C(NC1CCC1)N2CCC2 273464a_100000749019_100000754969 [0,0,0,2,0,0|2,0,0]=4 21029 B12R2.3283 O=C(CC1CC1)CC2CCO2 1458a_100000738066_100000103362 [0,0,0,2,0,0|2,0,0]=4 21030 B12R2.3283 O=C(CC1CC1)CC2COC2 1458a_100000687760_100000742324 [0,0,0,2,0,0|2,0,0]=4 21031 B12R2.3283 O=C(CC1CC1)CC2COC2 1458a_100000738066_100010264016 [0,0,0,2,0,0|2,0,0]=4 21032 B12R2.3283 O=C(CC1CC1)NC2CCC2 11a_100000749019_100000738066 [0,0,0,2,0,0|2,0,0]=4 21033 B12R2.3283 O=C(CC1CC1)NC2CCC2 1626a_100000749019_100000738066 [0,0,0,2,0,0|2,0,0]=4 21034 B12R2.3283 O=C(CC1CC1)NC2CCC2 240690a_100000749019_100000738066 [0,0,0,2,0,0|2,0,0]=4 21035 B12R2.3283 O=C(CC1CC1)NC2CCC2 527a_100000749019_100000738066 [0,0,0,2,0,0|2,0,0]=4 21036 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000738066_100000763275 [0,0,0,2,0,0|1,0,0]=3 21037 B12R2.3283 O=C(CC1CCC1)CC2CC2 1458a_100000763092_100000742324 [0,0,0,2,0,0|1,0,0]=3 21038 B12R2.3283 O=C(CC1CCC1)CC2CO2 1458a_100000763092_100011216344 [0,0,0,2,0,0|2,0,0]=4 21039 B12R2.3283 O=C(CC1CCC1)CC2CS2 1458a_100000763092_100000031435 [0,0,0,2,0,0|2,0,0]=4 21040 B12R2.3283 O=C(CC1CCC1)C[C@@H]2CO2 1458a_100000763092_100000745022 [0,0,0,2,0,0|2,0,0]=4 21041 B12R2.3283 O=C(CC1CCC1)NC2CC2 1626a_100000212008_100000763092 [0,0,0,2,0,0|1,0,0]=3 21042 B12R2.3283 O=C(CC1CCC1)NC2CC2 240690a_100000212008_100000763092 [0,0,0,2,0,0|1,0,0]=3 21043 B12R2.3283 O=C(CC1CCC1)NC2CC2 527a_100000212008_100000763092 [0,0,0,2,0,0|1,0,0]=3 21044 B12R2.3283 O=C(CC1COC1)NC2CC2 1626a_100000212008_100000687760 [0,0,0,2,0,0|2,0,0]=4 21045 B12R2.3283 O=C(CN1CCC1)NC2CC2 269982a_100000754969_100000182950 [0,0,0,2,0,0|2,0,0]=4 21046 B12R2.3283 O=C(NC1CCC1)NC2CC2 2708a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 21047 B12R2.3283 O=C(NC1CCC1)NC2CC2 273464a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 21048 B12R2.3283 O=C(NC1CCC1)NC2CC2 273464a_100000749019_100000212008 [0,0,0,2,0,0|2,0,0]=4 21049 B12R2.3283 O=C(NC1CCC1)NC2CC2 512a_100000212008_100000749019 [0,0,0,2,0,0|2,0,0]=4 21050 B12R2.5430 CC1CC1C(=O)CC2CCC2 1458a_100000211227_100000763275 [0,0,0,2,0,0|1,0,0]=3 21051 B12R2.5430 CC1CC1C(=O)CC2CCO2 1458a_100000211227_100000103362 [0,0,0,2,0,0|2,0,0]=4 21052 B12R2.5430 CC1CC1C(=O)CC2COC2 1458a_100000211227_100010264016 [0,0,0,2,0,0|2,0,0]=4 21053 B12R2.5430 CC1CC1C(=O)NC2CCC2 11a_100000749019_100000211227 [0,0,0,2,0,0|2,0,0]=4 21054 B12R2.5430 CC1CC1C(=O)NC2CCC2 1626a_100000749019_100000211227 [0,0,0,2,0,0|2,0,0]=4 21055 B12R2.5430 CC1CC1C(=O)NC2CCC2 527a_100000749019_100000211227 [0,0,0,2,0,0|2,0,0]=4 21056 B12R2.5430 O=C(CC1CCC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000763275 [0,0,0,2,0,0|2,0,0]=4 21057 B12R2.1255 CC1CC1C(=O)CCC2CC2 1458a_100000211227_100000694398 [0,0,0,2,0,0|1,0,0]=3 21058 B12R2.1255 CC1CC1C(=O)CCC2CO2 1458a_100000211227_100000732470 [0,0,0,2,0,0|2,0,0]=4 21059 B12R2.1255 CC1CC1C(=O)NCC2CC2 11a_100000735609_100000211227 [0,0,0,2,0,0|2,0,0]=4 21060 B12R2.1255 CC1CC1C(=O)NCC2CC2 1626a_100000735609_100000211227 [0,0,0,2,0,0|2,0,0]=4 21061 B12R2.1255 CC1CC1C(=O)NCC2CC2 527a_100000735609_100000211227 [0,0,0,2,0,0|2,0,0]=4 21062 B12R2.1255 O=C(CCC1CC1)[C@@H]2C[C@@H]2F 1458a_100015396687_100000694398 [0,0,0,2,0,0|2,0,0]=4 21063 B12R2.3280 O=C(CCC1CC1)C2CCC2 1458a_100000209988_100000694398 [0,0,0,2,0,0|1,0,0]=3 21064 B12R2.3280 O=C(CCC1CC1)C2CCC2 1458a_100000756386_100000749161 [0,0,0,2,0,0|1,0,0]=3 21065 B12R2.3280 O=C(CCC1CC1)C2CCO2 1458a_100000089072_100000694398 [0,0,0,2,0,0|2,0,0]=4 21066 B12R2.3280 O=C(CCC1CC1)C2COC2 1458a_100000756386_100000687716 [0,0,0,2,0,0|2,0,0]=4 21067 B12R2.3280 O=C(CCC1CC1)C2COC2 1458a_100000758290_100000694398 [0,0,0,2,0,0|2,0,0]=4 21068 B12R2.3280 O=C(CCC1CC1)N2CCC2 11a_100000754969_100000756386 [0,0,0,2,0,0|1,0,0]=3 21069 B12R2.3280 O=C(CCC1CC1)N2CCC2 240690a_100000754969_100000756386 [0,0,0,2,0,0|1,0,0]=3 21070 B12R2.3280 O=C(CCC1CC1)N2CCC2 527a_100000754969_100000756386 [0,0,0,2,0,0|1,0,0]=3 21071 B12R2.3280 O=C(CCC1CO1)C2CCC2 1458a_100000209988_100000732470 [0,0,0,2,0,0|2,0,0]=4 21072 B12R2.3280 O=C(CNC1CC1)C2CCC2 34a_100000212008_100000686122 [0,0,0,2,0,0|2,0,0]=4 21073 B12R2.3280 O=C(CNC1CC1)N2CCC2 34a_100000212008_100000185095 [0,0,0,2,0,0|2,0,0]=4 21074 B12R2.3280 O=C(CSC1CC1)C2CCC2 62a_100000686122_100000211595 [0,0,0,2,0,0|2,0,0]=4 21075 B12R2.3280 O=C(CSC1CC1)N2CCC2 62a_100000185095_100000211595 [0,0,0,2,0,0|2,0,0]=4 21076 B12R2.3280 O=C(NCC1CC1)C2CCC2 11a_100000735609_100000209988 [0,0,0,2,0,0|2,0,0]=4 21077 B12R2.3280 O=C(NCC1CC1)C2CCC2 1626a_100000735609_100000209988 [0,0,0,2,0,0|2,0,0]=4 21078 B12R2.3280 O=C(NCC1CC1)C2CCC2 240690a_100000735609_100000209988 [0,0,0,2,0,0|2,0,0]=4 21079 B12R2.3280 O=C(NCC1CC1)C2CCC2 527a_100000735609_100000209988 [0,0,0,2,0,0|2,0,0]=4 21080 B12R2.3280 O=C(NCC1CC1)N2CCC2 2708a_100000735609_100000754969 [0,0,0,2,0,0|2,0,0]=4 21081 B12R2.3280 O=C(NCC1CC1)N2CCC2 273464a_100000735609_100000754969 [0,0,0,2,0,0|2,0,0]=4 21082 B12R2.3288 O=C(CC1CC1)NCC2CC2 11a_100000735609_100000738066 [0,0,0,2,0,0|2,0,0]=4 21083 B12R2.3288 O=C(CC1CC1)NCC2CC2 1626a_100000735609_100000738066 [0,0,0,2,0,0|2,0,0]=4 21084 B12R2.3288 O=C(CC1CC1)NCC2CC2 240690a_100000735609_100000738066 [0,0,0,2,0,0|2,0,0]=4 21085 B12R2.3288 O=C(CC1CC1)NCC2CC2 527a_100000735609_100000738066 [0,0,0,2,0,0|2,0,0]=4 21086 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000738066_100000694398 [0,0,0,2,0,0|1,0,0]=3 21087 B12R2.3288 O=C(CCC1CC1)CC2CC2 1458a_100000756386_100000742324 [0,0,0,2,0,0|1,0,0]=3 21088 B12R2.3288 O=C(CCC1CC1)CC2CO2 1458a_100000756386_100011216344 [0,0,0,2,0,0|2,0,0]=4 21089 B12R2.3288 O=C(CCC1CC1)CC2CS2 1458a_100000756386_100000031435 [0,0,0,2,0,0|2,0,0]=4 21090 B12R2.3288 O=C(CCC1CC1)C[C@@H]2CO2 1458a_100000756386_100000745022 [0,0,0,2,0,0|2,0,0]=4 21091 B12R2.3288 O=C(CCC1CC1)NC2CC2 1626a_100000212008_100000756386 [0,0,0,2,0,0|1,0,0]=3 21092 B12R2.3288 O=C(CCC1CC1)NC2CC2 240690a_100000212008_100000756386 [0,0,0,2,0,0|1,0,0]=3 21093 B12R2.3288 O=C(CCC1CC1)NC2CC2 527a_100000212008_100000756386 [0,0,0,2,0,0|1,0,0]=3 21094 B12R2.3288 O=C(CCC1CO1)CC2CC2 1458a_100000738066_100000732470 [0,0,0,2,0,0|2,0,0]=4 21095 B12R2.3288 O=C(CNC1CC1)NC2CC2 34a_100000212008_100000182950 [0,0,0,2,0,0|2,0,0]=4 21096 B12R2.3288 O=C(CSC1CC1)NC2CC2 62a_100000182950_100000211595 [0,0,0,2,0,0|2,0,0]=4 21097 B12R2.3288 O=C(NCC1CC1)NC2CC2 2708a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 21098 B12R2.3288 O=C(NCC1CC1)NC2CC2 2708a_100000735609_100000212008 [0,0,0,2,0,0|2,0,0]=4 21099 B12R2.3288 O=C(NCC1CC1)NC2CC2 273464a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 21100 B12R2.3288 O=C(NCC1CC1)NC2CC2 273464a_100000735609_100000212008 [0,0,0,2,0,0|2,0,0]=4 21101 B12R2.3288 O=C(NCC1CC1)NC2CC2 512a_100000212008_100000735609 [0,0,0,2,0,0|2,0,0]=4 21102 B12R2.1294 CC1CC1C(=O)N2CCC2C 11a_100000755817_100000211227 [0,0,0,2,0,0|2,0,0]=4 21103 B12R2.1294 CC1CC1C(=O)N2CCC2C 527a_100000755817_100000211227 [0,0,0,2,0,0|2,0,0]=4 21104 B12R2.1309 CC1CCN1C(=O)CC2CC2 11a_100000755817_100000738066 [0,0,0,2,0,0|2,0,0]=4 21105 B12R2.1309 CC1CCN1C(=O)CC2CC2 240690a_100000755817_100000738066 [0,0,0,2,0,0|2,0,0]=4 21106 B12R2.1309 CC1CCN1C(=O)CC2CC2 527a_100000755817_100000738066 [0,0,0,2,0,0|2,0,0]=4 21107 B12R2.1309 CC1CCN1C(=O)NC2CC2 2708a_100000212008_100000755817 [0,0,0,2,0,0|2,0,0]=4 21108 B12R2.1309 CC1CCN1C(=O)NC2CC2 273464a_100000212008_100000755817 [0,0,0,2,0,0|2,0,0]=4 21109 B12R2.3003 CC1CCN1C(=O)C2CCC2 11a_100000755817_100000209988 [0,0,0,2,0,0|2,0,0]=4 21110 B12R2.3003 CC1CCN1C(=O)C2CCC2 240690a_100000755817_100000209988 [0,0,0,2,0,0|2,0,0]=4 21111 B12R2.3003 CC1CCN1C(=O)C2CCC2 527a_100000755817_100000209988 [0,0,0,2,0,0|2,0,0]=4 21112 B12R2.5619 CC1(CCCCC1)OC2CC2 34a_100011215885_100000211595 [0,0,0,2,0,0|1,0,1]=4