0 B9R0.5 C#CCC(=O)CCCCC 1458a_100000212188_100000184674 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 C#CCC(=O)CCCCC 1458a_100011220946_100000210326 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.5 C#CCC(=O)CCCCF 1458a_100011220946_100000729493 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 C#CCC(=O)CCCCO 1458a_100000695505_100000184674 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.5 C#CCC(=O)CCCCO 1458a_100011220946_100000210776 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 C#CCC(=O)CCCOC 1458a_100000741012_100000184674 [0,0,0,0,0,0|2,0,2]=4 6 B9R0.5 C#CCC(=O)CCCOC 1458a_100011220946_100000740836 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.5 C#CCC(=O)CCCSC 1458a_100000173376_100000184674 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.5 C#CCC(=O)CCOCC 1458a_100000749530_100000184674 [0,0,0,0,0,0|2,0,2]=4 9 B9R0.5 C#CCC(=O)CCOCC 1458a_100011220946_100011215890 [0,0,0,0,0,0|2,0,2]=4 10 B9R0.5 C#CCC(=O)CCSCC 1458a_100000230768_100000184674 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.5 C#CCC(=O)CCSCC 1458a_100011220946_100000757381 [0,0,0,0,0,0|2,0,2]=4 12 B9R0.5 C#CCC(=O)COCCC 1458a_100000745993_100000184674 [0,0,0,0,0,0|2,0,2]=4 13 B9R0.5 C#CCC(=O)CSCCC 1458a_100000217233_100000184674 [0,0,0,0,0,0|2,0,2]=4 14 B9R0.5 C#CCC(=O)NCCCC 1626a_100000102301_100011220946 [0,0,0,0,0,0|2,0,2]=4 15 B9R0.5 C#CCC(=O)NCCCC 527a_100000102301_100011220946 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.5 C#CCCCC(=O)C#CC 1458a_100000763181_100000731252 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.5 C#CCCCC(=O)C=CC 1458a_100000210699_100000731252 [0,0,0,0,0,0|1,0,3]=4 18 B9R0.5 C#CCCCC(=O)CCC 1458a_100000211992_100000731252 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.5 C#CCCCC(=O)CCC 1458a_100000690238_100000210303 [0,0,0,0,0,0|1,0,2]=3 20 B9R0.5 C#CCCCC(=O)CCF 1458a_100000690238_100011217306 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.5 C#CCCCC(=O)CCO 1458a_100000690238_100000211926 [0,0,0,0,0,0|2,0,2]=4 22 B9R0.5 C#CCCCC(=O)CCO 1458a_100011216618_100000731252 [0,0,0,0,0,0|2,0,2]=4 23 B9R0.5 C#CCCCC(=O)COC 1458a_100000210968_100000731252 [0,0,0,0,0,0|2,0,2]=4 24 B9R0.5 C#CCCCC(=O)CSC 1458a_100000184570_100000731252 [0,0,0,0,0,0|2,0,2]=4 25 B9R0.5 C#CCCCC(=O)NCC 11a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 26 B9R0.5 C#CCCCC(=O)NCC 240690a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 27 B9R0.5 C#CCCCC(=O)NCC 527a_100015525214_100000690238 [0,0,0,0,0,0|1,0,2]=3 28 B9R0.5 C#CCCCC(=O)NNC 22a_100016993582_100000690238 [0,0,0,0,0,0|2,0,2]=4 29 B9R0.5 C#CCCNC(=O)CCC 11a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 30 B9R0.5 C#CCCNC(=O)CCC 1626a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 31 B9R0.5 C#CCCNC(=O)CCC 240690a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 32 B9R0.5 C#CCCNC(=O)CCC 527a_100000755551_100000211992 [0,0,0,0,0,0|2,0,2]=4 33 B9R0.5 C#CCCNC(=O)NCC 2708a_100000755551_100015525214 [0,0,0,0,0,0|2,0,2]=4 34 B9R0.5 C#CCCNC(=O)NCC 2708a_100015525214_100000755551 [0,0,0,0,0,0|2,0,2]=4 35 B9R0.5 C#CCCNC(=O)NCC 273464a_100000755551_100015525214 [0,0,0,0,0,0|2,0,2]=4 36 B9R0.5 C#CCCNC(=O)NCC 273464a_100015525214_100000755551 [0,0,0,0,0,0|2,0,2]=4 37 B9R0.5 C#CCCNC(=O)NCC 512a_100000755551_100015525214 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.5 C#CCCNC(=O)NCC 512a_100015525214_100000755551 [0,0,0,0,0,0|2,0,2]=4 39 B9R0.5 C#CCNCC(=O)NCC 2230a_100016988866_100000038162 [0,0,0,0,0,0|2,0,2]=4 40 B9R0.5 C#CCNCC(=O)NCC 34a_100000212058_100000183381 [0,0,0,0,0,0|2,0,2]=4 41 B9R0.5 C#CCNCC(=O)OCC 34a_100000212058_100000188475 [0,0,0,0,0,0|1,0,2]=3 42 B9R0.5 C#CCOCC(=O)CCC 1458a_100011251226_100000210303 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.5 C#CCOCC(=O)NCC 11a_100015525214_100011251226 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.5 C#CCOCC(=O)NCC 34a_100000210247_100000183381 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.5 C#CCOCC(=O)NCC 527a_100015525214_100011251226 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.5 C#CCOCC(=O)OCC 34a_100000210247_100000188475 [0,0,0,0,0,0|1,0,2]=3 47 B9R0.5 C#CCSCC(=O)CCC 62a_100000038162_100000747444 [0,0,0,0,0,0|2,0,2]=4 48 B9R0.5 C#CCSCC(=O)NCC 62a_100000038162_100000183381 [0,0,0,0,0,0|2,0,2]=4 49 B9R0.5 C#CCSCC(=O)OCC 62a_100000038162_100000188475 [0,0,0,0,0,0|1,0,2]=3 50 B9R0.5 C=CCC(=O)CCCCC 1458a_100000210193_100000210326 [0,0,0,0,0,0|1,0,2]=3 51 B9R0.5 C=CCC(=O)CCCCC 1458a_100000212188_100000210623 [0,0,0,0,0,0|1,0,2]=3 52 B9R0.5 C=CCC(=O)CCCCF 1458a_100000210193_100000729493 [0,0,0,0,0,0|2,0,2]=4 53 B9R0.5 C=CCC(=O)CCCCO 1458a_100000210193_100000210776 [0,0,0,0,0,0|2,0,2]=4 54 B9R0.5 C=CCC(=O)CCCCO 1458a_100000695505_100000210623 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.5 C=CCC(=O)CCCOC 1458a_100000210193_100000740836 [0,0,0,0,0,0|2,0,2]=4 56 B9R0.5 C=CCC(=O)CCCOC 1458a_100000741012_100000210623 [0,0,0,0,0,0|2,0,2]=4 57 B9R0.5 C=CCC(=O)CCCSC 1458a_100000173376_100000210623 [0,0,0,0,0,0|2,0,2]=4 58 B9R0.5 C=CCC(=O)CCOCC 1458a_100000210193_100011215890 [0,0,0,0,0,0|2,0,2]=4 59 B9R0.5 C=CCC(=O)CCOCC 1458a_100000749530_100000210623 [0,0,0,0,0,0|2,0,2]=4 60 B9R0.5 C=CCC(=O)CCSCC 1458a_100000210193_100000757381 [0,0,0,0,0,0|2,0,2]=4 61 B9R0.5 C=CCC(=O)CCSCC 1458a_100000230768_100000210623 [0,0,0,0,0,0|2,0,2]=4 62 B9R0.5 C=CCC(=O)COCCC 1458a_100000745993_100000210623 [0,0,0,0,0,0|2,0,2]=4 63 B9R0.5 C=CCC(=O)CSCCC 1458a_100000217233_100000210623 [0,0,0,0,0,0|2,0,2]=4 64 B9R0.5 C=CCC(=O)NCCCC 11a_100000102301_100000210193 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.5 C=CCC(=O)NCCCC 1626a_100000102301_100000210193 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.5 C=CCC(=O)NCCCC 240690a_100000102301_100000210193 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.5 C=CCC(=O)NCCCC 527a_100000102301_100000210193 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.5 C=CCCCC(=O)C#CC 1458a_100000763181_100000757094 [0,0,0,0,0,0|1,0,3]=4 69 B9R0.5 C=CCCCC(=O)C=CC 1458a_100000210699_100000757094 [0,0,0,0,0,0|1,0,3]=4 70 B9R0.5 C=CCCCC(=O)CCC 1458a_100000211992_100000757094 [0,0,0,0,0,0|1,0,2]=3 71 B9R0.5 C=CCCCC(=O)CCC 1458a_100000766728_100000210303 [0,0,0,0,0,0|1,0,2]=3 72 B9R0.5 C=CCCCC(=O)CCF 1458a_100000766728_100011217306 [0,0,0,0,0,0|2,0,2]=4 73 B9R0.5 C=CCCCC(=O)CCO 1458a_100000766728_100000211926 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.5 C=CCCCC(=O)CCO 1458a_100011216618_100000757094 [0,0,0,0,0,0|2,0,2]=4 75 B9R0.5 C=CCCCC(=O)COC 1458a_100000210968_100000757094 [0,0,0,0,0,0|2,0,2]=4 76 B9R0.5 C=CCCCC(=O)CSC 1458a_100000184570_100000757094 [0,0,0,0,0,0|2,0,2]=4 77 B9R0.5 C=CCCCC(=O)NCC 11a_100015525214_100000766728 [0,0,0,0,0,0|1,0,2]=3 78 B9R0.5 C=CCCCC(=O)NCC 240690a_100015525214_100000766728 [0,0,0,0,0,0|1,0,2]=3 79 B9R0.5 C=CCCCC(=O)NCC 527a_100015525214_100000766728 [0,0,0,0,0,0|1,0,2]=3 80 B9R0.5 C=CCCCC(=O)NNC 22a_100016993582_100000766728 [0,0,0,0,0,0|2,0,2]=4 81 B9R0.5 C=CCCNC(=O)CCC 11a_100015191253_100000211992 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.5 C=CCCNC(=O)CCC 1626a_100015191253_100000211992 [0,0,0,0,0,0|2,0,2]=4 83 B9R0.5 C=CCCNC(=O)CCC 240690a_100015191253_100000211992 [0,0,0,0,0,0|2,0,2]=4 84 B9R0.5 C=CCCNC(=O)CCC 527a_100015191253_100000211992 [0,0,0,0,0,0|2,0,2]=4 85 B9R0.5 C=CCCNC(=O)NCC 2708a_100015191253_100015525214 [0,0,0,0,0,0|2,0,2]=4 86 B9R0.5 C=CCCNC(=O)NCC 2708a_100015525214_100015191253 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.5 C=CCCNC(=O)NCC 273464a_100015191253_100015525214 [0,0,0,0,0,0|2,0,2]=4 88 B9R0.5 C=CCCNC(=O)NCC 273464a_100015525214_100015191253 [0,0,0,0,0,0|2,0,2]=4 89 B9R0.5 C=CCCNC(=O)NCC 512a_100015191253_100015525214 [0,0,0,0,0,0|2,0,2]=4 90 B9R0.5 C=CCCNC(=O)NCC 512a_100015525214_100015191253 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.5 C=CCNCC(=O)CCC 2230a_100020586998_100000747444 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.5 C=CCNCC(=O)NCC 2230a_100016988866_100000210623 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.5 C=CCNCC(=O)NCC 2230a_100020586998_100000183381 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.5 C=CCNCC(=O)OCC 2230a_100020586998_100000188475 [0,0,0,0,0,0|1,0,2]=3 95 B9R0.5 C=CCOCC(=O)NCC 34a_200000210373_100000183381 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.5 C=CCOCC(=O)OCC 34a_200000210373_100000188475 [0,0,0,0,0,0|1,0,2]=3 97 B9R0.5 C=CCSCC(=O)CCC 1458a_100000230395_100000210303 [0,0,0,0,0,0|2,0,2]=4 98 B9R0.5 C=CCSCC(=O)CCC 62a_100000210623_100000747444 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.5 C=CCSCC(=O)CCC 62a_100000747444_100000210623 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.5 C=CCSCC(=O)NCC 11a_100015525214_100000230395 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.5 C=CCSCC(=O)NCC 240690a_100015525214_100000230395 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.5 C=CCSCC(=O)NCC 527a_100015525214_100000230395 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.5 C=CCSCC(=O)NCC 62a_100000183381_100000210623 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.5 C=CCSCC(=O)NCC 62a_100000210623_100000183381 [0,0,0,0,0,0|2,0,2]=4 105 B9R0.5 C=CCSCC(=O)OCC 62a_100000188475_100000210623 [0,0,0,0,0,0|1,0,2]=3 106 B9R0.5 C=CCSCC(=O)OCC 62a_100000210623_100000188475 [0,0,0,0,0,0|1,0,2]=3 107 B9R0.5 C=COC(=O)CNCCF 34a_100000724931_100000036128 [0,0,0,0,0,0|2,0,2]=4 108 B9R0.5 C=COC(=O)CNCCO 2230a_100016997473_100000036128 [0,0,0,0,0,0|2,0,2]=4 109 B9R0.5 C=COC(=O)CNCCO 34a_100016990907_100000036128 [0,0,0,0,0,0|2,0,2]=4 110 B9R0.5 C=COC(=O)COCCBr 34a_100000211926_100000036128 [0,0,0,0,0,0|2,0,2]=4 111 B9R0.5 C=COC(=O)COCCC 34a_100000210258_100000036128 [0,0,0,0,0,0|1,0,2]=3 112 B9R0.5 C=COC(=O)COCCN 34a_100000210304_100000036128 [0,0,0,0,0,0|2,0,2]=4 113 B9R0.5 C=COC(=O)CSCCC 62a_100000036128_100000210303 [0,0,0,0,0,0|1,0,2]=3 114 B9R0.5 C=COC(=O)CSCCC 62a_100000210303_100000036128 [0,0,0,0,0,0|1,0,2]=3 115 B9R0.5 C=COC(=O)CSCCF 62a_100000036128_100011217306 [0,0,0,0,0,0|2,0,2]=4 116 B9R0.5 C=COC(=O)CSCCF 62a_100011217306_100000036128 [0,0,0,0,0,0|2,0,2]=4 117 B9R0.5 C=COC(=O)CSCCO 62a_100000036128_100000211926 [0,0,0,0,0,0|2,0,2]=4 118 B9R0.5 C=COC(=O)CSCCO 62a_100000211926_100000036128 [0,0,0,0,0,0|2,0,2]=4 119 B9R0.5 C=COC(=O)CSCOC 62a_100000036128_100000766300 [0,0,0,0,0,0|2,0,2]=4 120 B9R0.5 C=COC(=O)CSCOC 62a_100000766300_100000036128 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.5 C=COC(=O)CSCSC 62a_100000036128_100011218213 [0,0,0,0,0,0|2,0,2]=4 122 B9R0.5 C=COC(=O)CSCSC 62a_100011218213_100000036128 [0,0,0,0,0,0|2,0,2]=4 123 B9R0.5 C=COCCC(=O)CCC 1458a_100000211992_100000039644 [0,0,0,0,0,0|2,0,2]=4 124 B9R0.5 CC#CC(=O)C/C=C\CC 1458a_100000763181_100103147603 [0,0,0,0,0,0|1,0,3]=4 125 B9R0.5 CC#CC(=O)CC#CCC 1458a_100000763181_100009813939 [0,0,0,0,0,0|1,0,3]=4 126 B9R0.5 CC#CC(=O)CCCC#N 1458a_100000763181_100000211468 [0,0,0,0,0,0|2,0,2]=4 127 B9R0.5 CC#CC(=O)CCCCC 1458a_100000763181_100000210326 [0,0,0,0,0,0|1,0,1]=2 128 B9R0.5 CC#CC(=O)CCCCF 1458a_100000763181_100000729493 [0,0,0,0,0,0|2,0,1]=3 129 B9R0.5 CC#CC(=O)CCCCO 1458a_100000763181_100000210776 [0,0,0,0,0,0|2,0,1]=3 130 B9R0.5 CC#CC(=O)CCCOC 1458a_100000763181_100000740836 [0,0,0,0,0,0|2,0,1]=3 131 B9R0.5 CC#CC(=O)CCOCC 1458a_100000763181_100011215890 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.5 CC#CC(=O)CCSCC 1458a_100000763181_100000757381 [0,0,0,0,0,0|2,0,1]=3 133 B9R0.5 CC#CC(=O)NNCCC 22a_100000740057_100000763181 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.5 CC#CCNC(=O)CCC 11a_100000685387_100000211992 [0,0,0,0,0,0|2,0,2]=4 135 B9R0.5 CC#CCNC(=O)CCC 1626a_100000685387_100000211992 [0,0,0,0,0,0|2,0,2]=4 136 B9R0.5 CC#CCNC(=O)CCC 527a_100000685387_100000211992 [0,0,0,0,0,0|2,0,2]=4 137 B9R0.5 CC#CCNC(=O)NCC 2708a_100015525214_100000685387 [0,0,0,0,0,0|2,0,2]=4 138 B9R0.5 CC#CCNC(=O)NCC 273464a_100000685387_100015525214 [0,0,0,0,0,0|2,0,2]=4 139 B9R0.5 CC#CCNC(=O)NCC 273464a_100015525214_100000685387 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.5 CC#CCNC(=O)NCC 512a_100000685387_100015525214 [0,0,0,0,0,0|2,0,2]=4 141 B9R0.5 CC#CCNC(=O)NCC 512a_100015525214_100000685387 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.5 CC/C=C/CC(=O)CCC 1458a_100016274230_100000210303 [0,0,0,0,0,0|1,0,2]=3 143 B9R0.5 CC/C=C/CC(=O)CCF 1458a_100016274230_100011217306 [0,0,0,0,0,0|2,0,2]=4 144 B9R0.5 CC/C=C/CC(=O)CCO 1458a_100016274230_100000211926 [0,0,0,0,0,0|2,0,2]=4 145 B9R0.5 CC/C=C/CC(=O)NCC 11a_100015525214_100016274230 [0,0,0,0,0,0|1,0,2]=3 146 B9R0.5 CC/C=C/CC(=O)NCC 240690a_100015525214_100016274230 [0,0,0,0,0,0|1,0,2]=3 147 B9R0.5 CC/C=C/CC(=O)NCC 527a_100015525214_100016274230 [0,0,0,0,0,0|1,0,2]=3 148 B9R0.5 CC/C=C/CC(=O)NNC 22a_100016993582_100016274230 [0,0,0,0,0,0|2,0,2]=4 149 B9R0.5 CC/C=C\CC(=O)CCC 1458a_100000211992_100103147603 [0,0,0,0,0,0|1,0,2]=3 150 B9R0.5 CC/C=C\CC(=O)CCO 1458a_100011216618_100103147603 [0,0,0,0,0,0|2,0,2]=4 151 B9R0.5 CC/C=C\CC(=O)COC 1458a_100000210968_100103147603 [0,0,0,0,0,0|2,0,2]=4 152 B9R0.5 CC/C=C\CC(=O)CSC 1458a_100000184570_100103147603 [0,0,0,0,0,0|2,0,2]=4 153 B9R0.5 CC=CC(=O)C/C=C\CC 1458a_100000210699_100103147603 [0,0,0,0,0,0|1,0,3]=4 154 B9R0.5 CC=CC(=O)CC#CCC 1458a_100000210699_100009813939 [0,0,0,0,0,0|1,0,3]=4 155 B9R0.5 CC=CC(=O)CCCC#N 1458a_100000210699_100000211468 [0,0,0,0,0,0|2,0,2]=4 156 B9R0.5 CC=CC(=O)CCCCC 1458a_100000210699_100000210326 [0,0,0,0,0,0|1,0,1]=2 157 B9R0.5 CC=CC(=O)CCCCF 1458a_100000210699_100000729493 [0,0,0,0,0,0|2,0,1]=3 158 B9R0.5 CC=CC(=O)CCCCO 1458a_100000210699_100000210776 [0,0,0,0,0,0|2,0,1]=3 159 B9R0.5 CC=CC(=O)CCCOC 1458a_100000210699_100000740836 [0,0,0,0,0,0|2,0,1]=3 160 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [0,0,0,0,0,0|2,0,1]=3 161 B9R0.5 CC=CC(=O)CCSCC 1458a_100000210699_100000757381 [0,0,0,0,0,0|2,0,1]=3 162 B9R0.5 CC=CC(=O)NCCCC 11a_100000102301_100000210699 [0,0,0,0,0,0|2,0,1]=3 163 B9R0.5 CC=CC(=O)NCCCC 1626a_100000102301_100000210699 [0,0,0,0,0,0|2,0,1]=3 164 B9R0.5 CC=CC(=O)NCCCC 240690a_100000102301_100000210699 [0,0,0,0,0,0|2,0,1]=3 165 B9R0.5 CC=CC(=O)NCCCF 11a_100015189416_100000210699 [0,0,0,0,0,0|3,0,1]=4 166 B9R0.5 CC=CC(=O)NCCCF 1626a_100015189416_100000210699 [0,0,0,0,0,0|3,0,1]=4 167 B9R0.5 CC=CC(=O)NCCCF 240690a_100015189416_100000210699 [0,0,0,0,0,0|3,0,1]=4 168 B9R0.5 CC=CC(=O)NCCCO 240690a_100000182051_100000210699 [0,0,0,0,0,0|3,0,1]=4 169 B9R0.5 CC=CC(=O)NCCOC 1626a_100000209980_100000210699 [0,0,0,0,0,0|3,0,1]=4 170 B9R0.5 CC=CC(=O)NCCOC 240690a_100000209980_100000210699 [0,0,0,0,0,0|3,0,1]=4 171 B9R0.5 CC=CC(=O)NCCSC 11a_100020590264_100000210699 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.5 CC=CC(=O)NCCSC 1626a_100020590264_100000210699 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.5 CC=CC(=O)NCCSC 240690a_100020590264_100000210699 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.5 CC=CC(=O)NNCCC 22a_100000740057_100000210699 [0,0,0,0,0,0|3,0,1]=4 175 B9R0.5 CCC#CCC(=O)CCC 1458a_100000211992_100009813939 [0,0,0,0,0,0|1,0,2]=3 176 B9R0.5 CCC#CCC(=O)CCO 1458a_100011216618_100009813939 [0,0,0,0,0,0|2,0,2]=4 177 B9R0.5 CCC#CCC(=O)COC 1458a_100000210968_100009813939 [0,0,0,0,0,0|2,0,2]=4 178 B9R0.5 CCC#CCC(=O)CSC 1458a_100000184570_100009813939 [0,0,0,0,0,0|2,0,2]=4 179 B9R0.5 CCC#CCC(C)OCC 34a_200000035118_100000210202 [0,0,0,0,0,0|1,0,3]=4 180 B9R0.5 CCC#CCC(C)OCC 7a_200000035118_100000210202 [0,0,0,0,0,0|1,0,3]=4 181 B9R0.5 CCC=NNC(=O)CCC 4a_100000189770_100000210100 [0,0,0,0,0,0|3,0,1]=4 182 B9R0.5 CCCC#CC(=O)CCC 1458a_200011218047_100000210303 [0,0,0,0,0,0|1,0,2]=3 183 B9R0.5 CCCC#CC(=O)CCF 1458a_200011218047_100011217306 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.5 CCCC#CC(=O)CCO 1458a_200011218047_100000211926 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.5 CCCC#CC(=O)NCC 240690a_100015525214_200011218047 [0,0,0,0,0,0|1,0,2]=3 186 B9R0.5 CCCC#CC(=O)NNC 22a_100016993582_200011218047 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.5 CCCC(=O)C=CCOC 1458a_100016285016_100000210303 [0,0,0,0,0,0|2,0,2]=4 188 B9R0.5 CCCC(=O)C=COCC 1458a_100016266692_100000210303 [0,0,0,0,0,0|2,0,2]=4 189 B9R0.5 CCCC(=O)CC#CCO 1458a_100000211992_200000047223 [0,0,0,0,0,0|2,0,2]=4 190 B9R0.5 CCCC(=O)CCCC#N 1458a_100000075515_100000210303 [0,0,0,0,0,0|2,0,1]=3 191 B9R0.5 CCCC(=O)CCCC#N 1458a_100000211992_100000211468 [0,0,0,0,0,0|2,0,1]=3 192 B9R0.5 CCCC(=O)CCCCF 1458a_100000211992_100000729493 [0,0,0,0,0,0|2,0,0]=2 193 B9R0.5 CCCC(=O)CCCCO 1458a_100000211992_100000210776 [0,0,0,0,0,0|2,0,0]=2 194 B9R0.5 CCCC(=O)CCCCO 1458a_100000695505_100000210303 [0,0,0,0,0,0|2,0,0]=2 195 B9R0.5 CCCC(=O)CCCOC 1458a_100000211992_100000740836 [0,0,0,0,0,0|2,0,0]=2 196 B9R0.5 CCCC(=O)CCCOC 1458a_100000741012_100000210303 [0,0,0,0,0,0|2,0,0]=2 197 B9R0.5 CCCC(=O)CCCSC 1458a_100000173376_100000210303 [0,0,0,0,0,0|2,0,0]=2 198 B9R0.5 CCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210303 [0,0,0,0,0,0|4,0,0]=4 199 B9R0.5 CCCC(=O)CCOCC 1458a_100000211992_100011215890 [0,0,0,0,0,0|2,0,0]=2 200 B9R0.5 CCCC(=O)CCOCC 1458a_100000749530_100000210303 [0,0,0,0,0,0|2,0,0]=2 201 B9R0.5 CCCC(=O)CCSCC 1458a_100000211992_100000757381 [0,0,0,0,0,0|2,0,0]=2 202 B9R0.5 CCCC(=O)CCSCC 1458a_100000230768_100000210303 [0,0,0,0,0,0|2,0,0]=2 203 B9R0.5 CCCC(=O)CNCCO 2230a_100016997473_100000747444 [0,0,0,0,0,0|3,0,0]=3 204 B9R0.5 CCCC(=O)COCCO 1458a_100000708028_100000210303 [0,0,0,0,0,0|3,0,0]=3 205 B9R0.5 CCCC(=O)CSCC#N 1458a_100000150266_100000210303 [0,0,0,0,0,0|3,0,1]=4 206 B9R0.5 CCCC(=O)CSCC#N 62a_100000747444_100011215382 [0,0,0,0,0,0|3,0,1]=4 207 B9R0.5 CCCC(=O)CSCC#N 62a_100011215382_100000747444 [0,0,0,0,0,0|3,0,1]=4 208 B9R0.5 CCCC(=O)CSCC=O 62a_100000747444_200015260668 [0,0,0,0,0,0|3,0,1]=4 209 B9R0.5 CCCC(=O)CSCC=O 62a_200015260668_100000747444 [0,0,0,0,0,0|3,0,1]=4 210 B9R0.5 CCCC(=O)CSCCF 62a_100000747444_100011217306 [0,0,0,0,0,0|3,0,0]=3 211 B9R0.5 CCCC(=O)CSCCF 62a_100011217306_100000747444 [0,0,0,0,0,0|3,0,0]=3 212 B9R0.5 CCCC(=O)CSCCO 62a_100000211926_100000747444 [0,0,0,0,0,0|3,0,0]=3 213 B9R0.5 CCCC(=O)CSCCO 62a_100000747444_100000211926 [0,0,0,0,0,0|3,0,0]=3 214 B9R0.5 CCCC(=O)CSCOC 62a_100000747444_100000766300 [0,0,0,0,0,0|3,0,0]=3 215 B9R0.5 CCCC(=O)CSCOC 62a_100000766300_100000747444 [0,0,0,0,0,0|3,0,0]=3 216 B9R0.5 CCCC(=O)CSCSC 62a_100000747444_100011218213 [0,0,0,0,0,0|3,0,0]=3 217 B9R0.5 CCCC(=O)CSCSC 62a_100011218213_100000747444 [0,0,0,0,0,0|3,0,0]=3 218 B9R0.5 CCCC(=O)NCCC#N 11a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 219 B9R0.5 CCCC(=O)NCCC#N 1626a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 220 B9R0.5 CCCC(=O)NCCC#N 240690a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 221 B9R0.5 CCCC(=O)NCCC#N 527a_100000720768_100000211992 [0,0,0,0,0,0|3,0,1]=4 222 B9R0.5 CCCC(=O)NCCCF 11a_100015189416_100000211992 [0,0,0,0,0,0|3,0,0]=3 223 B9R0.5 CCCC(=O)NCCCF 1626a_100015189416_100000211992 [0,0,0,0,0,0|3,0,0]=3 224 B9R0.5 CCCC(=O)NCCCF 240690a_100015189416_100000211992 [0,0,0,0,0,0|3,0,0]=3 225 B9R0.5 CCCC(=O)NCCCF 527a_100015189416_100000211992 [0,0,0,0,0,0|3,0,0]=3 226 B9R0.5 CCCC(=O)NCCCO 240690a_100000182051_100000211992 [0,0,0,0,0,0|3,0,0]=3 227 B9R0.5 CCCC(=O)NCCCO 527a_100000182051_100000211992 [0,0,0,0,0,0|3,0,0]=3 228 B9R0.5 CCCC(=O)NCCOC 1626a_100000209980_100000211992 [0,0,0,0,0,0|3,0,0]=3 229 B9R0.5 CCCC(=O)NCCOC 240690a_100000209980_100000211992 [0,0,0,0,0,0|3,0,0]=3 230 B9R0.5 CCCC(=O)NCCOC 527a_100000209980_100000211992 [0,0,0,0,0,0|3,0,0]=3 231 B9R0.5 CCCC(=O)NCCSC 11a_100020590264_100000211992 [0,0,0,0,0,0|3,0,0]=3 232 B9R0.5 CCCC(=O)NCCSC 1626a_100020590264_100000211992 [0,0,0,0,0,0|3,0,0]=3 233 B9R0.5 CCCC(=O)NCCSC 240690a_100020590264_100000211992 [0,0,0,0,0,0|3,0,0]=3 234 B9R0.5 CCCC(=O)NCCSC 527a_100020590264_100000211992 [0,0,0,0,0,0|3,0,0]=3 235 B9R0.5 CCCC(=O)NNCCO 22a_100000210001_100000211992 [0,0,0,0,0,0|4,0,0]=4 236 B9R0.5 CCCC(=O)OCNCC 2230a_100015525214_100000034017 [0,0,0,0,0,0|3,0,0]=3 237 B9R0.5 CCCC(=O)OCOCC 34a_100121572206_100000034017 [0,0,0,0,0,0|3,0,0]=3 238 B9R0.5 CCCC(=O)OCSCC 62a_100000210202_100000034017 [0,0,0,0,0,0|3,0,0]=3 239 B9R0.5 CCCC(=O)OCSCF 62a_100015361967_100000034017 [0,0,0,0,0,0|4,0,0]=4 240 B9R0.5 CCCC(C)CCCOC 34a_100011713154_200000210301 [0,0,0,0,0,0|3,0,1]=4 241 B9R0.5 CCCC(C)CCCOC 7a_100011713154_200000210301 [0,0,0,0,0,0|3,0,1]=4 242 B9R0.5 CCCC(C)CCCO[13CH3] 34a_100011713154_200025704644 [0,0,0,0,0,0|3,0,1]=4 243 B9R0.5 CCCC(C)CCCO[13CH3] 7a_100011713154_200025704644 [0,0,0,0,0,0|3,0,1]=4 244 B9R0.5 CCCC(C)CCOCC 34a_100011217855_100000210202 [0,0,0,0,0,0|3,0,1]=4 245 B9R0.5 CCCC(C)CCOCC 7a_100011217855_100000210202 [0,0,0,0,0,0|3,0,1]=4 246 B9R0.5 CCCC=CC(=O)CCC 1458a_100000212230_100000210303 [0,0,0,0,0,0|1,0,2]=3 247 B9R0.5 CCCC=CC(=O)CCF 1458a_100000212230_100011217306 [0,0,0,0,0,0|2,0,2]=4 248 B9R0.5 CCCC=CC(=O)CCO 1458a_100000212230_100000211926 [0,0,0,0,0,0|2,0,2]=4 249 B9R0.5 CCCC=CC(=O)NCC 11a_100015525214_100000212230 [0,0,0,0,0,0|1,0,2]=3 250 B9R0.5 CCCC=CC(=O)NCC 240690a_100015525214_100000212230 [0,0,0,0,0,0|1,0,2]=3 251 B9R0.5 CCCC=CC(=O)NNC 22a_100016993582_100000212230 [0,0,0,0,0,0|2,0,2]=4 252 B9R0.5 CCCCCC(=O)C=CBr 1458a_100016273825_100000210326 [0,0,0,0,0,0|2,0,1]=3 253 B9R0.5 CCCCCC(=O)C=CCl 1458a_200016279998_100000210326 [0,0,0,0,0,0|2,0,1]=3 254 B9R0.5 CCCCCC(=O)C=CI 1458a_100016256311_100000210326 [0,0,0,0,0,0|2,0,1]=3 255 B9R0.5 CCCCCC(=O)CC#N 1458a_100000212188_100011214920 [0,0,0,0,0,0|2,0,1]=3 256 B9R0.5 CCCCCC(=O)CC#N 1458a_100051588842_100000210326 [0,0,0,0,0,0|2,0,1]=3 257 B9R0.5 CCCCCC(=O)CCC 1458a_100000211992_100000210326 [0,0,0,0,0,0|1,0,0]=1 258 B9R0.5 CCCCCC(=O)CCC 1458a_100000212188_100000210303 [0,0,0,0,0,0|1,0,0]=1 259 B9R0.5 CCCCCC(=O)CCF 1458a_100000212188_100011217306 [0,0,0,0,0,0|2,0,0]=2 260 B9R0.5 CCCCCC(=O)CCO 1458a_100000212188_100000211926 [0,0,0,0,0,0|2,0,0]=2 261 B9R0.5 CCCCCC(=O)CCO 1458a_100011216618_100000210326 [0,0,0,0,0,0|2,0,0]=2 262 B9R0.5 CCCCCC(=O)CNC 2230a_106832991635_200012276598 [0,0,0,0,0,0|2,0,0]=2 263 B9R0.5 CCCCCC(=O)CNC 34a_100102657272_200012276598 [0,0,0,0,0,0|2,0,0]=2 264 B9R0.5 CCCCCC(=O)CNC 7a_106832991635_200012276598 [0,0,0,0,0,0|2,0,0]=2 265 B9R0.5 CCCCCC(=O)COC 1458a_100000210968_100000210326 [0,0,0,0,0,0|2,0,0]=2 266 B9R0.5 CCCCCC(=O)COC 34a_100138415774_200012276598 [0,0,0,0,0,0|2,0,0]=2 267 B9R0.5 CCCCCC(=O)CSC 1458a_100000184570_100000210326 [0,0,0,0,0,0|2,0,0]=2 268 B9R0.5 CCCCCC(=O)CSC 62a_200000210301_200012276598 [0,0,0,0,0,0|2,0,0]=2 269 B9R0.5 CCCCCC(=O)CSC 62a_200012276598_200000210301 [0,0,0,0,0,0|2,0,0]=2 270 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200012276598_200025704644 [0,0,0,0,0,0|2,0,0]=2 271 B9R0.5 CCCCCC(=O)CS[13CH3] 62a_200025704644_200012276598 [0,0,0,0,0,0|2,0,0]=2 272 B9R0.5 CCCCCC(=O)NCC 11a_100015525214_100000212188 [0,0,0,0,0,0|1,0,0]=1 273 B9R0.5 CCCCCC(=O)NCC 240690a_100015525214_100000212188 [0,0,0,0,0,0|1,0,0]=1 274 B9R0.5 CCCCCC(=O)NCC 527a_100015525214_100000212188 [0,0,0,0,0,0|1,0,0]=1 275 B9R0.5 CCCCCC(=O)NNC 22a_100016993582_100000212188 [0,0,0,0,0,0|2,0,0]=2 276 B9R0.5 CCCCCC(C)NCC 2230a_100000211957_100000210202 [0,0,0,0,0,0|2,0,1]=3 277 B9R0.5 CCCCCC(C)NCC 2230a_100015525214_200011218191 [0,0,0,0,0,0|2,0,1]=3 278 B9R0.5 CCCCCC(C)NCC 270004a_100015525214_100000211708 [0,0,0,0,0,0|2,0,1]=3 279 B9R0.5 CCCCCC(C)OCC 34a_100011215632_100000210202 [0,0,0,0,0,0|1,0,1]=2 280 B9R0.5 CCCCCC(C)OCC 34a_100121572206_200011218191 [0,0,0,0,0,0|1,0,1]=2 281 B9R0.5 CCCCCC(C)OCC 7a_100011215632_100000210202 [0,0,0,0,0,0|1,0,1]=2 282 B9R0.5 CCCCCC(C)OCF 34a_100011215632_100015361967 [0,0,0,0,0,0|2,0,1]=3 283 B9R0.5 CCCCCC(C)OCF 7a_100011215632_100015361967 [0,0,0,0,0,0|2,0,1]=3 284 B9R0.5 CCCCCC(C)SCC 62a_100000210202_200011218191 [0,0,0,0,0,0|1,1,1]=3 285 B9R0.5 CCCCCC(C)SCC 62a_200011218191_100000210202 [0,0,0,0,0,0|1,1,1]=3 286 B9R0.5 CCCCCC(C)SCF 62a_100015361967_200011218191 [0,0,0,0,0,0|2,1,1]=4 287 B9R0.5 CCCCCC(C)SCF 62a_200011218191_100015361967 [0,0,0,0,0,0|2,1,1]=4 288 B9R0.5 CCCCCN(C)CCC 2230a_100000223495_100000210303 [0,0,0,0,0,0|3,0,0]=3 289 B9R0.5 CCCCCN(C)CCC 2230a_100000747261_100000210326 [0,0,0,0,0,0|3,0,0]=3 290 B9R0.5 CCCCCN(C)CCC 2230a_200000226819_200000210301 [0,0,0,0,0,0|3,0,0]=3 291 B9R0.5 CCCCCN(C)CCC 269982a_100000223495_100000210303 [0,0,0,0,0,0|3,0,0]=3 292 B9R0.5 CCCCCN(C)CCC 269982a_100000747261_100000210215 [0,0,0,0,0,0|3,0,0]=3 293 B9R0.5 CCCCCN(C)CCC 269982a_200000226819_200000210301 [0,0,0,0,0,0|3,0,0]=3 294 B9R0.5 CCCCCN(C)CCF 2230a_100000223495_100011217306 [0,0,0,0,0,0|4,0,0]=4 295 B9R0.5 CCCCCN(C)CCF 269982a_100000223495_100011217306 [0,0,0,0,0,0|4,0,0]=4 296 B9R0.5 CCCCCN(C)CCO 2230a_100000210263_100000210326 [0,0,0,0,0,0|4,0,0]=4 297 B9R0.5 CCCCCN(C)CCO 2230a_100000223495_100000211926 [0,0,0,0,0,0|4,0,0]=4 298 B9R0.5 CCCCCN(C)CCO 2230a_100000224656_200000210301 [0,0,0,0,0,0|4,0,0]=4 299 B9R0.5 CCCCCN(C)CCO 269982a_100000210263_100000210215 [0,0,0,0,0,0|4,0,0]=4 300 B9R0.5 CCCCCN(C)CCO 269982a_100000223495_100000211926 [0,0,0,0,0,0|4,0,0]=4 301 B9R0.5 CCCCCN(C)CCO 269982a_100000224656_200000210301 [0,0,0,0,0,0|4,0,0]=4 302 B9R0.5 CCCCCN(C)COC 2230a_100000223495_100000766300 [0,0,0,0,0,0|4,0,0]=4 303 B9R0.5 CCCCCN(C)COC 269982a_100000223495_100000766300 [0,0,0,0,0,0|4,0,0]=4 304 B9R0.5 CCCCCN(C)CSC 2230a_100000223495_100011218213 [0,0,0,0,0,0|4,0,0]=4 305 B9R0.5 CCCCCN(C)CSC 269982a_100000223495_100011218213 [0,0,0,0,0,0|4,0,0]=4 306 B9R0.5 CCCCCN([13CH3])CCC 2230a_200000226819_200025704644 [0,0,0,0,0,0|3,0,0]=3 307 B9R0.5 CCCCCN([13CH3])CCC 269982a_200000226819_200025704644 [0,0,0,0,0,0|3,0,0]=3 308 B9R0.5 CCCCCN([13CH3])CCO 2230a_100000224656_200025704644 [0,0,0,0,0,0|4,0,0]=4 309 B9R0.5 CCCCCN([13CH3])CCO 269982a_100000224656_200025704644 [0,0,0,0,0,0|4,0,0]=4 310 B9R0.5 CCCCNC(=O)C=CBr 1626a_100000102301_100016273825 [0,0,0,0,0,0|3,0,1]=4 311 B9R0.5 CCCCNC(=O)C=CBr 240690a_100000102301_100016273825 [0,0,0,0,0,0|3,0,1]=4 312 B9R0.5 CCCCNC(=O)C=CCl 11a_100000102301_200016279998 [0,0,0,0,0,0|3,0,1]=4 313 B9R0.5 CCCCNC(=O)C=CCl 1626a_100000102301_200016279998 [0,0,0,0,0,0|3,0,1]=4 314 B9R0.5 CCCCNC(=O)C=CCl 240690a_100000102301_200016279998 [0,0,0,0,0,0|3,0,1]=4 315 B9R0.5 CCCCNC(=O)C=CI 1626a_100000102301_100016256311 [0,0,0,0,0,0|3,0,1]=4 316 B9R0.5 CCCCNC(=O)CC#N 1626a_100000102301_100051588842 [0,0,0,0,0,0|3,0,1]=4 317 B9R0.5 CCCCNC(=O)CC#N 240690a_100000102301_100051588842 [0,0,0,0,0,0|3,0,1]=4 318 B9R0.5 CCCCNC(=O)CCC 11a_100000102301_100000211992 [0,0,0,0,0,0|2,0,0]=2 319 B9R0.5 CCCCNC(=O)CCC 1626a_100000102301_100000211992 [0,0,0,0,0,0|2,0,0]=2 320 B9R0.5 CCCCNC(=O)CCC 240690a_100000102301_100000211992 [0,0,0,0,0,0|2,0,0]=2 321 B9R0.5 CCCCNC(=O)CCC 527a_100000102301_100000211992 [0,0,0,0,0,0|2,0,0]=2 322 B9R0.5 CCCCNC(=O)CCO 240690a_100000102301_100011216618 [0,0,0,0,0,0|3,0,0]=3 323 B9R0.5 CCCCNC(=O)CNC 2230a_106832991635_100000182744 [0,0,0,0,0,0|3,0,0]=3 324 B9R0.5 CCCCNC(=O)CNC 34a_100102657272_100000182744 [0,0,0,0,0,0|3,0,0]=3 325 B9R0.5 CCCCNC(=O)CNC 7a_106832991635_100000182744 [0,0,0,0,0,0|3,0,0]=3 326 B9R0.5 CCCCNC(=O)COC 11a_100000102301_100000210968 [0,0,0,0,0,0|3,0,0]=3 327 B9R0.5 CCCCNC(=O)COC 1626a_100000102301_100000210968 [0,0,0,0,0,0|3,0,0]=3 328 B9R0.5 CCCCNC(=O)COC 240690a_100000102301_100000210968 [0,0,0,0,0,0|3,0,0]=3 329 B9R0.5 CCCCNC(=O)COC 34a_100138415774_100000182744 [0,0,0,0,0,0|3,0,0]=3 330 B9R0.5 CCCCNC(=O)COC 527a_100000102301_100000210968 [0,0,0,0,0,0|3,0,0]=3 331 B9R0.5 CCCCNC(=O)CSC 11a_100000102301_100000184570 [0,0,0,0,0,0|3,0,0]=3 332 B9R0.5 CCCCNC(=O)CSC 1626a_100000102301_100000184570 [0,0,0,0,0,0|3,0,0]=3 333 B9R0.5 CCCCNC(=O)CSC 240690a_100000102301_100000184570 [0,0,0,0,0,0|3,0,0]=3 334 B9R0.5 CCCCNC(=O)CSC 527a_100000102301_100000184570 [0,0,0,0,0,0|3,0,0]=3 335 B9R0.5 CCCCNC(=O)CSC 62a_100000182744_200000210301 [0,0,0,0,0,0|3,0,0]=3 336 B9R0.5 CCCCNC(=O)CSC 62a_200000210301_100000182744 [0,0,0,0,0,0|3,0,0]=3 337 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_100000182744_200025704644 [0,0,0,0,0,0|3,0,0]=3 338 B9R0.5 CCCCNC(=O)CS[13CH3] 62a_200025704644_100000182744 [0,0,0,0,0,0|3,0,0]=3 339 B9R0.5 CCCCNC(=O)NCC 2708a_100000102301_100015525214 [0,0,0,0,0,0|2,0,0]=2 340 B9R0.5 CCCCNC(=O)NCC 2708a_100015525214_100000102301 [0,0,0,0,0,0|2,0,0]=2 341 B9R0.5 CCCCNC(=O)NCC 273464a_100000102301_100015525214 [0,0,0,0,0,0|2,0,0]=2 342 B9R0.5 CCCCNC(=O)NCC 273464a_100015525214_100000102301 [0,0,0,0,0,0|2,0,0]=2 343 B9R0.5 CCCCNC(=O)NCC 512a_100000102301_100015525214 [0,0,0,0,0,0|2,0,0]=2 344 B9R0.5 CCCCNC(=O)NCC 512a_100015525214_100000102301 [0,0,0,0,0,0|2,0,0]=2 345 B9R0.5 CCCCNC(=O)NNC 273464a_100000102301_100016993582 [0,0,0,0,0,0|3,0,0]=3 346 B9R0.5 CCCCNC(=O)NNC 512a_100000102301_100016993582 [0,0,0,0,0,0|3,0,0]=3 347 B9R0.5 CCCCNC(=O)NNC 512a_100016993582_100000102301 [0,0,0,0,0,0|3,0,0]=3 348 B9R0.5 CCCCNC(C)CCC 2230a_100000102301_100000766640 [0,0,0,0,0,0|3,0,1]=4 349 B9R0.5 CCCCNC(C)CCC 2230a_100000741246_100000210211 [0,0,0,0,0,0|3,0,1]=4 350 B9R0.5 CCCCNC(C)CCC 270004a_100000102301_100000211909 [0,0,0,0,0,0|3,0,1]=4 351 B9R0.5 CCCCNC(C)CCC 7a_106832991798_100000766640 [0,0,0,0,0,0|3,0,1]=4 352 B9R0.5 CCCCOC(=O)CNC 2230a_106832991635_100000211628 [0,0,0,0,0,0|3,0,0]=3 353 B9R0.5 CCCCOC(=O)CNC 34a_100102657272_100000211628 [0,0,0,0,0,0|3,0,0]=3 354 B9R0.5 CCCCOC(=O)CNC 7a_106832991635_100000211628 [0,0,0,0,0,0|3,0,0]=3 355 B9R0.5 CCCCOC(=O)COC 34a_100138415774_100000211628 [0,0,0,0,0,0|3,0,0]=3 356 B9R0.5 CCCCOC(=O)CSC 62a_100000211628_200000210301 [0,0,0,0,0,0|3,0,0]=3 357 B9R0.5 CCCCOC(=O)CSC 62a_200000210301_100000211628 [0,0,0,0,0,0|3,0,0]=3 358 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_100000211628_200025704644 [0,0,0,0,0,0|3,0,0]=3 359 B9R0.5 CCCCOC(=O)CS[13CH3] 62a_200025704644_100000211628 [0,0,0,0,0,0|3,0,0]=3 360 B9R0.5 CCCCOC(C)CCC 34a_100000210227_100000766640 [0,0,0,0,0,0|3,0,1]=4 361 B9R0.5 CCCCOC(C)CCC 34a_100000764384_100000210210 [0,0,0,0,0,0|3,0,1]=4 362 B9R0.5 CCCCOC(C)CCC 7a_100000210227_100000766640 [0,0,0,0,0,0|3,0,1]=4 363 B9R0.5 CCCCOC(C)CCC 7a_100000764384_100000210211 [0,0,0,0,0,0|3,0,1]=4 364 B9R0.5 CCCCSC(C)CCC 62a_100000210211_100000766640 [0,0,0,0,0,0|3,0,1]=4 365 B9R0.5 CCCCSC(C)CCC 62a_100000766640_100000210210 [0,0,0,0,0,0|3,0,1]=4 366 B9R0.5 CCCN(C)CCCCF 2230a_100000747261_100000729493 [0,0,0,0,0,0|4,0,0]=4 367 B9R0.5 CCCN(C)CCCCF 269982a_100000747261_100000729493 [0,0,0,0,0,0|4,0,0]=4 368 B9R0.5 CCCN(C)CCCCO 2230a_100000717598_100000210303 [0,0,0,0,0,0|4,0,0]=4 369 B9R0.5 CCCN(C)CCCCO 2230a_100000747261_100000210776 [0,0,0,0,0,0|4,0,0]=4 370 B9R0.5 CCCN(C)CCCCO 269982a_100000717598_100000210303 [0,0,0,0,0,0|4,0,0]=4 371 B9R0.5 CCCN(C)CCCCO 269982a_100000747261_100000210776 [0,0,0,0,0,0|4,0,0]=4 372 B9R0.5 CCCN(C)CCCOC 2230a_100000224831_100000210303 [0,0,0,0,0,0|4,0,0]=4 373 B9R0.5 CCCN(C)CCCOC 2230a_100000747261_100000740836 [0,0,0,0,0,0|4,0,0]=4 374 B9R0.5 CCCN(C)CCCOC 269982a_100000224831_100000210303 [0,0,0,0,0,0|4,0,0]=4 375 B9R0.5 CCCN(C)CCCOC 269982a_100000747261_100000740836 [0,0,0,0,0,0|4,0,0]=4 376 B9R0.5 CCCN(C)CCOCC 2230a_100000747261_100011215890 [0,0,0,0,0,0|4,0,0]=4 377 B9R0.5 CCCN(C)CCOCC 269982a_100000747261_100011215890 [0,0,0,0,0,0|4,0,0]=4 378 B9R0.5 CCCN(C)CCSCC 2230a_100000747261_100000757381 [0,0,0,0,0,0|4,0,0]=4 379 B9R0.5 CCCN(C)CCSCC 269982a_100000747261_100000757381 [0,0,0,0,0,0|4,0,0]=4 380 B9R0.5 CCCNCC(=O)NCC 2230a_100016988866_100000210303 [0,0,0,0,0,0|2,0,0]=2 381 B9R0.5 CCCNCC(C)CCC 270004a_100020643023_100000243154 [0,0,0,0,0,0|3,0,1]=4 382 B9R0.5 CCCNN=C(C)CCC 4a_100000740057_100000211909 [0,0,0,0,0,0|4,0,0]=4 383 B9R0.5 CCCNNC(=O)CCC 22a_100000740057_100000211992 [0,0,0,0,0,0|3,0,0]=3 384 B9R0.5 CCCNNC(=O)CCO 22a_100000740057_100011216618 [0,0,0,0,0,0|4,0,0]=4 385 B9R0.5 CCCNNC(=O)COC 22a_100000740057_100000210968 [0,0,0,0,0,0|4,0,0]=4 386 B9R0.5 CCCNNC(=O)CSC 22a_100000740057_100000184570 [0,0,0,0,0,0|4,0,0]=4 387 B9R0.5 CCCNNC(=O)NCC 273464a_100015525214_100000740057 [0,0,0,0,0,0|3,0,0]=3 388 B9R0.5 CCCNNC(=O)NCC 512a_100000740057_100015525214 [0,0,0,0,0,0|3,0,0]=3 389 B9R0.5 CCCNNC(=O)NCC 512a_100015525214_100000740057 [0,0,0,0,0,0|3,0,0]=3 390 B9R0.5 CCCNNC(=O)NNC 512a_100000740057_100016993582 [0,0,0,0,0,0|4,0,0]=4 391 B9R0.5 CCCNNC(=O)NNC 512a_100016993582_100000740057 [0,0,0,0,0,0|4,0,0]=4 392 B9R0.5 CCCOCC(=O)CC#N 1458a_100000745993_100011214920 [0,0,0,0,0,0|3,0,1]=4 393 B9R0.5 CCCOCC(=O)CCC 1458a_100000745993_100000210303 [0,0,0,0,0,0|2,0,0]=2 394 B9R0.5 CCCOCC(=O)CCF 1458a_100000745993_100011217306 [0,0,0,0,0,0|3,0,0]=3 395 B9R0.5 CCCOCC(=O)CCO 1458a_100000745993_100000211926 [0,0,0,0,0,0|3,0,0]=3 396 B9R0.5 CCCOCC(=O)NCC 11a_100015525214_100000745993 [0,0,0,0,0,0|2,0,0]=2 397 B9R0.5 CCCOCC(=O)NCC 240690a_100015525214_100000745993 [0,0,0,0,0,0|2,0,0]=2 398 B9R0.5 CCCOCC(=O)NCC 34a_100000210258_100000183381 [0,0,0,0,0,0|2,0,0]=2 399 B9R0.5 CCCOCC(=O)NCC 527a_100015525214_100000745993 [0,0,0,0,0,0|2,0,0]=2 400 B9R0.5 CCCOCC(=O)NCO 34a_100000210258_100000185155 [0,0,0,0,0,0|3,0,0]=3 401 B9R0.5 CCCOCC(=O)NNC 22a_100016993582_100000745993 [0,0,0,0,0,0|3,0,0]=3 402 B9R0.5 CCCOCC(=O)OCC 34a_100000210258_100000188475 [0,0,0,0,0,0|1,0,0]=1 403 B9R0.5 CCCOCC(C)CCC 34a_100000210258_100011216630 [0,0,0,0,0,0|3,0,1]=4 404 B9R0.5 CCCOCC(C)CCC 34a_100000688023_100000210303 [0,0,0,0,0,0|3,0,1]=4 405 B9R0.5 CCCOCC(C)CCC 7a_100000688023_100000210303 [0,0,0,0,0,0|3,0,1]=4 406 B9R0.5 CCCOC[C@@H](N)CCC 34a_100000732646_100000210303 [0,0,0,0,0,0|3,0,1]=4 407 B9R0.5 CCCSCC(=O)CC#N 1458a_100000217233_100011214920 [0,0,0,0,0,0|3,0,1]=4 408 B9R0.5 CCCSCC(=O)CCC 1458a_100000217233_100000210303 [0,0,0,0,0,0|2,0,0]=2 409 B9R0.5 CCCSCC(=O)CCC 62a_100000210303_100000747444 [0,0,0,0,0,0|2,0,0]=2 410 B9R0.5 CCCSCC(=O)CCC 62a_100000747444_100000210303 [0,0,0,0,0,0|2,0,0]=2 411 B9R0.5 CCCSCC(=O)CCF 1458a_100000217233_100011217306 [0,0,0,0,0,0|3,0,0]=3 412 B9R0.5 CCCSCC(=O)CCO 1458a_100000217233_100000211926 [0,0,0,0,0,0|3,0,0]=3 413 B9R0.5 CCCSCC(=O)NCC 11a_100015525214_100000217233 [0,0,0,0,0,0|2,0,0]=2 414 B9R0.5 CCCSCC(=O)NCC 240690a_100015525214_100000217233 [0,0,0,0,0,0|2,0,0]=2 415 B9R0.5 CCCSCC(=O)NCC 527a_100015525214_100000217233 [0,0,0,0,0,0|2,0,0]=2 416 B9R0.5 CCCSCC(=O)NCC 62a_100000183381_100000210303 [0,0,0,0,0,0|2,0,0]=2 417 B9R0.5 CCCSCC(=O)NCC 62a_100000210303_100000183381 [0,0,0,0,0,0|2,0,0]=2 418 B9R0.5 CCCSCC(=O)NCO 62a_100000185155_100000210303 [0,0,0,0,0,0|3,0,0]=3 419 B9R0.5 CCCSCC(=O)NCO 62a_100000210303_100000185155 [0,0,0,0,0,0|3,0,0]=3 420 B9R0.5 CCCSCC(=O)NNC 22a_100016993582_100000217233 [0,0,0,0,0,0|3,0,0]=3 421 B9R0.5 CCCSCC(=O)OCC 62a_100000188475_100000210303 [0,0,0,0,0,0|1,0,0]=1 422 B9R0.5 CCCSCC(=O)OCC 62a_100000210303_100000188475 [0,0,0,0,0,0|1,0,0]=1 423 B9R0.5 CCCSCC(C)CCC 62a_100000210303_100011216630 [0,0,0,0,0,0|3,0,1]=4 424 B9R0.5 CCCSCC(C)CCC 62a_100011216630_100000210303 [0,0,0,0,0,0|3,0,1]=4 425 B9R0.5 CCCSCC(C)NCC 270004a_100015525214_100011343953 [0,0,0,0,0,0|3,0,1]=4 426 B9R0.5 CCC[C@H](N)CCOCC 34a_100015193777_100000210202 [0,0,0,0,0,0|3,0,1]=4 427 B9R0.5 CCNC(=O)C=CCOC 11a_100015525214_100016285016 [0,0,0,0,0,0|2,0,2]=4 428 B9R0.5 CCNC(=O)C=CCOC 240690a_100015525214_100016285016 [0,0,0,0,0,0|2,0,2]=4 429 B9R0.5 CCNC(=O)C=COCC 11a_100015525214_100016266692 [0,0,0,0,0,0|2,0,2]=4 430 B9R0.5 CCNC(=O)C=COCC 240690a_100015525214_100016266692 [0,0,0,0,0,0|2,0,2]=4 431 B9R0.5 CCNC(=O)CCCC#N 11a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 432 B9R0.5 CCNC(=O)CCCC#N 240690a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 433 B9R0.5 CCNC(=O)CCCC#N 527a_100015525214_100000075515 [0,0,0,0,0,0|2,0,1]=3 434 B9R0.5 CCNC(=O)CCCOC 11a_100015525214_100000741012 [0,0,0,0,0,0|2,0,0]=2 435 B9R0.5 CCNC(=O)CCCOC 240690a_100015525214_100000741012 [0,0,0,0,0,0|2,0,0]=2 436 B9R0.5 CCNC(=O)CCCOC 527a_100015525214_100000741012 [0,0,0,0,0,0|2,0,0]=2 437 B9R0.5 CCNC(=O)CCCSC 11a_100015525214_100000173376 [0,0,0,0,0,0|2,0,0]=2 438 B9R0.5 CCNC(=O)CCCSC 240690a_100015525214_100000173376 [0,0,0,0,0,0|2,0,0]=2 439 B9R0.5 CCNC(=O)CCCSC 527a_100015525214_100000173376 [0,0,0,0,0,0|2,0,0]=2 440 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 11a_100015525214_100000688302 [0,0,0,0,0,0|4,0,0]=4 441 B9R0.5 CCNC(=O)CCN=[N+]=[N-] 240690a_100015525214_100000688302 [0,0,0,0,0,0|4,0,0]=4 442 B9R0.5 CCNC(=O)CCNCF 34a_100025743525_100015361967 [0,0,0,0,0,0|3,0,0]=3 443 B9R0.5 CCNC(=O)CCOCC 11a_100015525214_100000749530 [0,0,0,0,0,0|2,0,0]=2 444 B9R0.5 CCNC(=O)CCOCC 240690a_100015525214_100000749530 [0,0,0,0,0,0|2,0,0]=2 445 B9R0.5 CCNC(=O)CCOCC 527a_100015525214_100000749530 [0,0,0,0,0,0|2,0,0]=2 446 B9R0.5 CCNC(=O)CCSCC 11a_100015525214_100000230768 [0,0,0,0,0,0|2,0,0]=2 447 B9R0.5 CCNC(=O)CCSCC 240690a_100015525214_100000230768 [0,0,0,0,0,0|2,0,0]=2 448 B9R0.5 CCNC(=O)CCSCC 527a_100015525214_100000230768 [0,0,0,0,0,0|2,0,0]=2 449 B9R0.5 CCNC(=O)CCSCC 62a_100000210202_100000737597 [0,0,0,0,0,0|2,0,0]=2 450 B9R0.5 CCNC(=O)CCSCC 62a_100000737597_100000210202 [0,0,0,0,0,0|2,0,0]=2 451 B9R0.5 CCNC(=O)CCSCF 62a_100000737597_100015361967 [0,0,0,0,0,0|3,0,0]=3 452 B9R0.5 CCNC(=O)CCSCF 62a_100015361967_100000737597 [0,0,0,0,0,0|3,0,0]=3 453 B9R0.5 CCNC(=O)CNCC#N 2230a_100016988866_100011215382 [0,0,0,0,0,0|3,0,1]=4 454 B9R0.5 CCNC(=O)CNCC=O 2230a_100016988866_200015260668 [0,0,0,0,0,0|3,0,1]=4 455 B9R0.5 CCNC(=O)CNCCF 2230a_100016988866_100011217306 [0,0,0,0,0,0|3,0,0]=3 456 B9R0.5 CCNC(=O)CNCCF 34a_100000724931_100000183381 [0,0,0,0,0,0|3,0,0]=3 457 B9R0.5 CCNC(=O)CNCCO 2230a_100016988866_100000211926 [0,0,0,0,0,0|3,0,0]=3 458 B9R0.5 CCNC(=O)CNCCO 2230a_100016997473_100000183381 [0,0,0,0,0,0|3,0,0]=3 459 B9R0.5 CCNC(=O)CNCCO 34a_100016990907_100000183381 [0,0,0,0,0,0|3,0,0]=3 460 B9R0.5 CCNC(=O)CNCOC 2230a_100016988866_100000766300 [0,0,0,0,0,0|3,0,0]=3 461 B9R0.5 CCNC(=O)CNCSC 2230a_100016988866_100011218213 [0,0,0,0,0,0|3,0,0]=3 462 B9R0.5 CCNC(=O)COCCBr 34a_100000211926_100000183381 [0,0,0,0,0,0|3,0,0]=3 463 B9R0.5 CCNC(=O)COCCN 34a_100000210304_100000183381 [0,0,0,0,0,0|3,0,0]=3 464 B9R0.5 CCNC(=O)COCCO 240690a_100015525214_100000708028 [0,0,0,0,0,0|3,0,0]=3 465 B9R0.5 CCNC(=O)CSCC#N 11a_100015525214_100000150266 [0,0,0,0,0,0|3,0,1]=4 466 B9R0.5 CCNC(=O)CSCC#N 240690a_100015525214_100000150266 [0,0,0,0,0,0|3,0,1]=4 467 B9R0.5 CCNC(=O)CSCC#N 62a_100000183381_100011215382 [0,0,0,0,0,0|3,0,1]=4 468 B9R0.5 CCNC(=O)CSCC#N 62a_100011215382_100000183381 [0,0,0,0,0,0|3,0,1]=4 469 B9R0.5 CCNC(=O)CSCC=O 62a_100000183381_200015260668 [0,0,0,0,0,0|3,0,1]=4 470 B9R0.5 CCNC(=O)CSCC=O 62a_200015260668_100000183381 [0,0,0,0,0,0|3,0,1]=4 471 B9R0.5 CCNC(=O)CSCCF 62a_100000183381_100011217306 [0,0,0,0,0,0|3,0,0]=3 472 B9R0.5 CCNC(=O)CSCCF 62a_100011217306_100000183381 [0,0,0,0,0,0|3,0,0]=3 473 B9R0.5 CCNC(=O)CSCCO 62a_100000183381_100000211926 [0,0,0,0,0,0|3,0,0]=3 474 B9R0.5 CCNC(=O)CSCCO 62a_100000211926_100000183381 [0,0,0,0,0,0|3,0,0]=3 475 B9R0.5 CCNC(=O)CSCOC 62a_100000183381_100000766300 [0,0,0,0,0,0|3,0,0]=3 476 B9R0.5 CCNC(=O)CSCOC 62a_100000766300_100000183381 [0,0,0,0,0,0|3,0,0]=3 477 B9R0.5 CCNC(=O)CSCSC 62a_100000183381_100011218213 [0,0,0,0,0,0|3,0,0]=3 478 B9R0.5 CCNC(=O)CSCSC 62a_100011218213_100000183381 [0,0,0,0,0,0|3,0,0]=3 479 B9R0.5 CCNC(=O)NCCC#N 2708a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 480 B9R0.5 CCNC(=O)NCCC#N 2708a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 481 B9R0.5 CCNC(=O)NCCC#N 273464a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 482 B9R0.5 CCNC(=O)NCCC#N 273464a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 483 B9R0.5 CCNC(=O)NCCC#N 512a_100000720768_100015525214 [0,0,0,0,0,0|3,0,1]=4 484 B9R0.5 CCNC(=O)NCCC#N 512a_100015525214_100000720768 [0,0,0,0,0,0|3,0,1]=4 485 B9R0.5 CCNC(=O)NCCCF 2708a_100015189416_100015525214 [0,0,0,0,0,0|3,0,0]=3 486 B9R0.5 CCNC(=O)NCCCF 2708a_100015525214_100015189416 [0,0,0,0,0,0|3,0,0]=3 487 B9R0.5 CCNC(=O)NCCCF 273464a_100015189416_100015525214 [0,0,0,0,0,0|3,0,0]=3 488 B9R0.5 CCNC(=O)NCCCF 273464a_100015525214_100015189416 [0,0,0,0,0,0|3,0,0]=3 489 B9R0.5 CCNC(=O)NCCCF 512a_100015189416_100015525214 [0,0,0,0,0,0|3,0,0]=3 490 B9R0.5 CCNC(=O)NCCCF 512a_100015525214_100015189416 [0,0,0,0,0,0|3,0,0]=3 491 B9R0.5 CCNC(=O)NCCCO 2708a_100015525214_100000182051 [0,0,0,0,0,0|3,0,0]=3 492 B9R0.5 CCNC(=O)NCCCO 273464a_100000182051_100015525214 [0,0,0,0,0,0|3,0,0]=3 493 B9R0.5 CCNC(=O)NCCCO 273464a_100015525214_100000182051 [0,0,0,0,0,0|3,0,0]=3 494 B9R0.5 CCNC(=O)NCCCO 512a_100015525214_100000182051 [0,0,0,0,0,0|3,0,0]=3 495 B9R0.5 CCNC(=O)NCCOC 2708a_100015525214_100000209980 [0,0,0,0,0,0|3,0,0]=3 496 B9R0.5 CCNC(=O)NCCOC 273464a_100000209980_100015525214 [0,0,0,0,0,0|3,0,0]=3 497 B9R0.5 CCNC(=O)NCCOC 273464a_100015525214_100000209980 [0,0,0,0,0,0|3,0,0]=3 498 B9R0.5 CCNC(=O)NCCSC 2708a_100015525214_100020590264 [0,0,0,0,0,0|3,0,0]=3 499 B9R0.5 CCNC(=O)NCCSC 2708a_100020590264_100015525214 [0,0,0,0,0,0|3,0,0]=3 500 B9R0.5 CCNC(=O)NCCSC 273464a_100015525214_100020590264 [0,0,0,0,0,0|3,0,0]=3 501 B9R0.5 CCNC(=O)NCCSC 273464a_100020590264_100015525214 [0,0,0,0,0,0|3,0,0]=3 502 B9R0.5 CCNC(=O)NCCSC 512a_100015525214_100020590264 [0,0,0,0,0,0|3,0,0]=3 503 B9R0.5 CCNC(=O)NCCSC 512a_100020590264_100015525214 [0,0,0,0,0,0|3,0,0]=3 504 B9R0.5 CCNC(=O)NNCCO 273464a_100015525214_100000210001 [0,0,0,0,0,0|4,0,0]=4 505 B9R0.5 CCNC(=O)NNCCO 512a_100015525214_100000210001 [0,0,0,0,0,0|4,0,0]=4 506 B9R0.5 CCNC(C)CCCSC 270004a_100015525214_100011399439 [0,0,0,0,0,0|3,0,1]=4 507 B9R0.5 CCNC(C)CCOCC 270004a_100015525214_200011216536 [0,0,0,0,0,0|3,0,1]=4 508 B9R0.5 CCNCCC(=O)NCC 2230a_100015525214_100000737597 [0,0,0,0,0,0|2,0,0]=2 509 B9R0.5 CCNCCC(=O)NCC 34a_100025743525_100000210202 [0,0,0,0,0,0|2,0,0]=2 510 B9R0.5 CCNCCC(=O)OCC 2230a_100015525214_100011206558 [0,0,0,0,0,0|1,0,0]=1 511 B9R0.5 CCNN=CC(=O)OCC 4a_100000756455_100000742314 [0,0,0,0,0,0|2,0,1]=3 512 B9R0.5 CCOC(=O)/C=C/CNC 2230a_106832991635_100016267167 [0,0,0,0,0,0|1,0,2]=3 513 B9R0.5 CCOC(=O)/C=C/CNC 34a_100102657272_100016267167 [0,0,0,0,0,0|1,0,2]=3 514 B9R0.5 CCOC(=O)/C=C/CNC 7a_106832991635_100016267167 [0,0,0,0,0,0|1,0,2]=3 515 B9R0.5 CCOC(=O)/C=C/COC 34a_100138415774_100016267167 [0,0,0,0,0,0|1,0,2]=3 516 B9R0.5 CCOC(=O)/C=C/CSC 62a_100016267167_200000210301 [0,0,0,0,0,0|1,0,2]=3 517 B9R0.5 CCOC(=O)/C=C/CSC 62a_200000210301_100016267167 [0,0,0,0,0,0|1,0,2]=3 518 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_100016267167_200025704644 [0,0,0,0,0,0|1,0,2]=3 519 B9R0.5 CCOC(=O)/C=C/CS[13CH3] 62a_200025704644_100016267167 [0,0,0,0,0,0|1,0,2]=3 520 B9R0.5 CCOC(=O)CCCNC 2230a_106832991635_100009991533 [0,0,0,0,0,0|1,0,0]=1 521 B9R0.5 CCOC(=O)CCCNC 34a_100102657272_100009991533 [0,0,0,0,0,0|1,0,0]=1 522 B9R0.5 CCOC(=O)CCCNC 7a_106832991635_100011215271 [0,0,0,0,0,0|1,0,0]=1 523 B9R0.5 CCOC(=O)CCCOC 34a_100138415774_100009991533 [0,0,0,0,0,0|1,0,0]=1 524 B9R0.5 CCOC(=O)CCCOC 7a_100012001163_200000210301 [0,0,0,0,0,0|1,0,0]=1 525 B9R0.5 CCOC(=O)CCCO[13CH3] 7a_100012001163_200025704644 [0,0,0,0,0,0|1,0,0]=1 526 B9R0.5 CCOC(=O)CCCSC 62a_100009991533_200000210301 [0,0,0,0,0,0|1,0,0]=1 527 B9R0.5 CCOC(=O)CCCSC 62a_200000210301_100009991533 [0,0,0,0,0,0|1,0,0]=1 528 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_100009991533_200025704644 [0,0,0,0,0,0|1,0,0]=1 529 B9R0.5 CCOC(=O)CCCS[13CH3] 62a_200025704644_100009991533 [0,0,0,0,0,0|1,0,0]=1 530 B9R0.5 CCOC(=O)CCSCC 62a_100000210202_100000765890 [0,0,0,0,0,0|1,0,0]=1 531 B9R0.5 CCOC(=O)CCSCC 62a_100000765890_100000210202 [0,0,0,0,0,0|1,0,0]=1 532 B9R0.5 CCOC(=O)CCSCF 62a_100000765890_100015361967 [0,0,0,0,0,0|2,0,0]=2 533 B9R0.5 CCOC(=O)CCSCF 62a_100015361967_100000765890 [0,0,0,0,0,0|2,0,0]=2 534 B9R0.5 CCOC(=O)CNCCF 34a_100000724931_100000188475 [0,0,0,0,0,0|2,0,0]=2 535 B9R0.5 CCOC(=O)CNCCO 2230a_100016997473_100000188475 [0,0,0,0,0,0|2,0,0]=2 536 B9R0.5 CCOC(=O)CNCCO 34a_100016990907_100000188475 [0,0,0,0,0,0|2,0,0]=2 537 B9R0.5 CCOC(=O)COCCBr 34a_100000211926_100000188475 [0,0,0,0,0,0|2,0,0]=2 538 B9R0.5 CCOC(=O)COCCN 34a_100000210304_100000188475 [0,0,0,0,0,0|2,0,0]=2 539 B9R0.5 CCOC(=O)CSCC#N 62a_100000188475_100011215382 [0,0,0,0,0,0|2,0,1]=3 540 B9R0.5 CCOC(=O)CSCC#N 62a_100011215382_100000188475 [0,0,0,0,0,0|2,0,1]=3 541 B9R0.5 CCOC(=O)CSCC=O 62a_100000188475_200015260668 [0,0,0,0,0,0|2,0,1]=3 542 B9R0.5 CCOC(=O)CSCC=O 62a_200015260668_100000188475 [0,0,0,0,0,0|2,0,1]=3 543 B9R0.5 CCOC(=O)CSCCF 62a_100000188475_100011217306 [0,0,0,0,0,0|2,0,0]=2 544 B9R0.5 CCOC(=O)CSCCF 62a_100011217306_100000188475 [0,0,0,0,0,0|2,0,0]=2 545 B9R0.5 CCOC(=O)CSCCO 62a_100000188475_100000211926 [0,0,0,0,0,0|2,0,0]=2 546 B9R0.5 CCOC(=O)CSCCO 62a_100000211926_100000188475 [0,0,0,0,0,0|2,0,0]=2 547 B9R0.5 CCOC(=O)CSCOC 62a_100000188475_100000766300 [0,0,0,0,0,0|2,0,0]=2 548 B9R0.5 CCOC(=O)CSCOC 62a_100000766300_100000188475 [0,0,0,0,0,0|2,0,0]=2 549 B9R0.5 CCOC(=O)CSCSC 62a_100000188475_100011218213 [0,0,0,0,0,0|2,0,0]=2 550 B9R0.5 CCOC(=O)CSCSC 62a_100011218213_100000188475 [0,0,0,0,0,0|2,0,0]=2 551 B9R0.5 CCOC(=O)NCCNC 7a_106832991635_200011445536 [0,0,0,0,0,0|2,0,0]=2 552 B9R0.5 CCOC(=O)NCCOC 34a_100000158857_200000210301 [0,0,0,0,0,0|2,0,0]=2 553 B9R0.5 CCOC(=O)NCCO[13CH3] 34a_100000158857_200025704644 [0,0,0,0,0,0|2,0,0]=2 554 B9R0.5 CCOC(=O)NCCSC 62a_200000210301_200011445536 [0,0,0,0,0,0|2,0,0]=2 555 B9R0.5 CCOC(=O)NCCS[13CH3] 62a_200025704644_200011445536 [0,0,0,0,0,0|2,0,0]=2 556 B9R0.5 CCOC(=O)OCSCC 62a_100000210202_100000075025 [0,0,0,0,0,0|2,0,0]=2 557 B9R0.5 CCOC(=O)OCSCF 62a_100015361967_100000075025 [0,0,0,0,0,0|3,0,0]=3 558 B9R0.5 CCOC(C)CCCOC 34a_200011539412_100000210202 [0,0,0,0,0,0|2,0,1]=3 559 B9R0.5 CCOC(C)CCCOC 7a_200011539412_100000210202 [0,0,0,0,0,0|2,0,1]=3 560 B9R0.5 CCOCCC(=O)C=CBr 1458a_100016273825_100011215890 [0,0,0,0,0,0|3,0,1]=4 561 B9R0.5 CCOCCC(=O)C=CCl 1458a_200016279998_100011215890 [0,0,0,0,0,0|3,0,1]=4 562 B9R0.5 CCOCCC(=O)C=CI 1458a_100016256311_100011215890 [0,0,0,0,0,0|3,0,1]=4 563 B9R0.5 CCOCCC(=O)CC#N 1458a_100000749530_100011214920 [0,0,0,0,0,0|3,0,1]=4 564 B9R0.5 CCOCCC(=O)CC#N 1458a_100051588842_100011215890 [0,0,0,0,0,0|3,0,1]=4 565 B9R0.5 CCOCCC(=O)CCF 1458a_100000749530_100011217306 [0,0,0,0,0,0|3,0,0]=3 566 B9R0.5 CCOCCC(=O)CCO 1458a_100000749530_100000211926 [0,0,0,0,0,0|3,0,0]=3 567 B9R0.5 CCOCCC(=O)CCO 1458a_100011216618_100011215890 [0,0,0,0,0,0|3,0,0]=3 568 B9R0.5 CCOCCC(=O)COC 1458a_100000210968_100011215890 [0,0,0,0,0,0|3,0,0]=3 569 B9R0.5 CCOCCC(=O)CSC 1458a_100000184570_100011215890 [0,0,0,0,0,0|3,0,0]=3 570 B9R0.5 CCOCCC(=O)NNC 22a_100016993582_100000749530 [0,0,0,0,0,0|3,0,0]=3 571 B9R0.5 CCOCCC(=O)OCC 34a_100121572206_100000765890 [0,0,0,0,0,0|1,0,0]=1 572 B9R0.5 CCSCCC(=O)C=CBr 1458a_100016273825_100000757381 [0,0,0,0,0,0|3,0,1]=4 573 B9R0.5 CCSCCC(=O)C=CCl 1458a_200016279998_100000757381 [0,0,0,0,0,0|3,0,1]=4 574 B9R0.5 CCSCCC(=O)C=CI 1458a_100016256311_100000757381 [0,0,0,0,0,0|3,0,1]=4 575 B9R0.5 CCSCCC(=O)CC#N 1458a_100000230768_100011214920 [0,0,0,0,0,0|3,0,1]=4 576 B9R0.5 CCSCCC(=O)CC#N 1458a_100051588842_100000757381 [0,0,0,0,0,0|3,0,1]=4 577 B9R0.5 CCSCCC(=O)CCF 1458a_100000230768_100011217306 [0,0,0,0,0,0|3,0,0]=3 578 B9R0.5 CCSCCC(=O)CCO 1458a_100000230768_100000211926 [0,0,0,0,0,0|3,0,0]=3 579 B9R0.5 CCSCCC(=O)CCO 1458a_100011216618_100000757381 [0,0,0,0,0,0|3,0,0]=3 580 B9R0.5 CCSCCC(=O)COC 1458a_100000210968_100000757381 [0,0,0,0,0,0|3,0,0]=3 581 B9R0.5 CCSCCC(=O)CSC 1458a_100000184570_100000757381 [0,0,0,0,0,0|3,0,0]=3 582 B9R0.5 CCSCCC(=O)NNC 22a_100016993582_100000230768 [0,0,0,0,0,0|3,0,0]=3 583 B9R0.5 CNCC(=O)NCCOC 2230a_100000754632_200000210301 [0,0,0,0,0,0|4,0,0]=4 584 B9R0.5 CNCC(=O)NCCOC 2230a_106832991635_100000183275 [0,0,0,0,0,0|4,0,0]=4 585 B9R0.5 CNCC(=O)NCCOC 34a_100102657272_100000183275 [0,0,0,0,0,0|4,0,0]=4 586 B9R0.5 CNCC(=O)NCCOC 7a_106832991635_100000183275 [0,0,0,0,0,0|4,0,0]=4 587 B9R0.5 CNCC(=O)OCCOC 2230a_106832991635_200000040189 [0,0,0,0,0,0|4,0,0]=4 588 B9R0.5 CNCC(=O)OCCOC 34a_100102657272_200000040189 [0,0,0,0,0,0|4,0,0]=4 589 B9R0.5 CNCC(=O)OCCOC 7a_106832991635_200000040189 [0,0,0,0,0,0|4,0,0]=4 590 B9R0.5 CNNC(=O)CCCC#N 22a_100016993582_100000075515 [0,0,0,0,0,0|3,0,1]=4 591 B9R0.5 CNNC(=O)CCCOC 22a_100016993582_100000741012 [0,0,0,0,0,0|3,0,0]=3 592 B9R0.5 CNNC(=O)CCCSC 22a_100016993582_100000173376 [0,0,0,0,0,0|3,0,0]=3 593 B9R0.5 CNNC(=O)NCCCF 273464a_100015189416_100016993582 [0,0,0,0,0,0|4,0,0]=4 594 B9R0.5 CNNC(=O)NCCCF 512a_100015189416_100016993582 [0,0,0,0,0,0|4,0,0]=4 595 B9R0.5 CNNC(=O)NCCCF 512a_100016993582_100015189416 [0,0,0,0,0,0|4,0,0]=4 596 B9R0.5 CNNC(=O)NCCCO 273464a_100000182051_100016993582 [0,0,0,0,0,0|4,0,0]=4 597 B9R0.5 CNNC(=O)NCCCO 512a_100016993582_100000182051 [0,0,0,0,0,0|4,0,0]=4 598 B9R0.5 CNNC(=O)NCCOC 273464a_100000209980_100016993582 [0,0,0,0,0,0|4,0,0]=4 599 B9R0.5 CNNC(=O)NCCSC 273464a_100020590264_100016993582 [0,0,0,0,0,0|4,0,0]=4 600 B9R0.5 CNNC(=O)NCCSC 512a_100016993582_100020590264 [0,0,0,0,0,0|4,0,0]=4 601 B9R0.5 CNNC(=O)NCCSC 512a_100020590264_100016993582 [0,0,0,0,0,0|4,0,0]=4 602 B9R0.5 COCC(=O)CCCC#N 1458a_100000210968_100000211468 [0,0,0,0,0,0|3,0,1]=4 603 B9R0.5 COCC(=O)CCCCF 1458a_100000210968_100000729493 [0,0,0,0,0,0|3,0,0]=3 604 B9R0.5 COCC(=O)CCCCO 1458a_100000210968_100000210776 [0,0,0,0,0,0|3,0,0]=3 605 B9R0.5 COCC(=O)NCCCF 11a_100015189416_100000210968 [0,0,0,0,0,0|4,0,0]=4 606 B9R0.5 COCC(=O)NCCCF 1626a_100015189416_100000210968 [0,0,0,0,0,0|4,0,0]=4 607 B9R0.5 COCC(=O)NCCCF 240690a_100015189416_100000210968 [0,0,0,0,0,0|4,0,0]=4 608 B9R0.5 COCC(=O)NCCCF 527a_100015189416_100000210968 [0,0,0,0,0,0|4,0,0]=4 609 B9R0.5 COCC(=O)NCCCO 240690a_100000182051_100000210968 [0,0,0,0,0,0|4,0,0]=4 610 B9R0.5 COCC(=O)NCCCO 527a_100000182051_100000210968 [0,0,0,0,0,0|4,0,0]=4 611 B9R0.5 COCC(=O)NCCSC 11a_100020590264_100000210968 [0,0,0,0,0,0|4,0,0]=4 612 B9R0.5 COCC(=O)NCCSC 1626a_100020590264_100000210968 [0,0,0,0,0,0|4,0,0]=4 613 B9R0.5 COCC(=O)NCCSC 240690a_100020590264_100000210968 [0,0,0,0,0,0|4,0,0]=4 614 B9R0.5 COCC(=O)NCCSC 527a_100020590264_100000210968 [0,0,0,0,0,0|4,0,0]=4 615 B9R0.5 COCCCC(=O)C=CBr 1458a_100016273825_100000740836 [0,0,0,0,0,0|3,0,1]=4 616 B9R0.5 COCCCC(=O)C=CCl 1458a_200016279998_100000740836 [0,0,0,0,0,0|3,0,1]=4 617 B9R0.5 COCCCC(=O)C=CI 1458a_100016256311_100000740836 [0,0,0,0,0,0|3,0,1]=4 618 B9R0.5 COCCCC(=O)CC#N 1458a_100000741012_100011214920 [0,0,0,0,0,0|3,0,1]=4 619 B9R0.5 COCCCC(=O)CC#N 1458a_100051588842_100000740836 [0,0,0,0,0,0|3,0,1]=4 620 B9R0.5 COCCCC(=O)CCF 1458a_100000741012_100011217306 [0,0,0,0,0,0|3,0,0]=3 621 B9R0.5 COCCCC(=O)CCO 1458a_100000741012_100000211926 [0,0,0,0,0,0|3,0,0]=3 622 B9R0.5 COCCCC(=O)CCO 1458a_100011216618_100000740836 [0,0,0,0,0,0|3,0,0]=3 623 B9R0.5 COCCCC(=O)COC 1458a_100000210968_100000740836 [0,0,0,0,0,0|3,0,0]=3 624 B9R0.5 COCCCC(=O)CSC 1458a_100000184570_100000740836 [0,0,0,0,0,0|3,0,0]=3 625 B9R0.5 COCCCC(C)OCF 34a_200011539412_100015361967 [0,0,0,0,0,0|3,0,1]=4 626 B9R0.5 COCCCC(C)OCF 7a_200011539412_100015361967 [0,0,0,0,0,0|3,0,1]=4 627 B9R0.5 COCCNC(=O)CCO 240690a_100000209980_100011216618 [0,0,0,0,0,0|4,0,0]=4 628 B9R0.5 COCCNC(=O)CN[13CH3] 2230a_100000754632_200025704644 [0,0,0,0,0,0|4,0,0]=4 629 B9R0.5 COCCNC(=O)COC 1626a_100000209980_100000210968 [0,0,0,0,0,0|4,0,0]=4 630 B9R0.5 COCCNC(=O)COC 240690a_100000209980_100000210968 [0,0,0,0,0,0|4,0,0]=4 631 B9R0.5 COCCNC(=O)COC 34a_100138415774_100000183275 [0,0,0,0,0,0|4,0,0]=4 632 B9R0.5 COCCNC(=O)COC 527a_100000209980_100000210968 [0,0,0,0,0,0|4,0,0]=4 633 B9R0.5 COCCNC(=O)CSC 1626a_100000209980_100000184570 [0,0,0,0,0,0|4,0,0]=4 634 B9R0.5 COCCNC(=O)CSC 240690a_100000209980_100000184570 [0,0,0,0,0,0|4,0,0]=4 635 B9R0.5 COCCNC(=O)CSC 527a_100000209980_100000184570 [0,0,0,0,0,0|4,0,0]=4 636 B9R0.5 COCCNC(=O)CSC 62a_100000183275_200000210301 [0,0,0,0,0,0|4,0,0]=4 637 B9R0.5 COCCNC(=O)CSC 62a_200000210301_100000183275 [0,0,0,0,0,0|4,0,0]=4 638 B9R0.5 COCCNC(=O)CS[13CH3] 62a_100000183275_200025704644 [0,0,0,0,0,0|4,0,0]=4 639 B9R0.5 COCCNC(=O)CS[13CH3] 62a_200025704644_100000183275 [0,0,0,0,0,0|4,0,0]=4 640 B9R0.5 COCCOC(=O)COC 34a_100138415774_200000040189 [0,0,0,0,0,0|4,0,0]=4 641 B9R0.5 COCCOC(=O)CSC 62a_200000040189_200000210301 [0,0,0,0,0,0|4,0,0]=4 642 B9R0.5 COCCOC(=O)CSC 62a_200000210301_200000040189 [0,0,0,0,0,0|4,0,0]=4 643 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200000040189_200025704644 [0,0,0,0,0,0|4,0,0]=4 644 B9R0.5 COCCOC(=O)CS[13CH3] 62a_200025704644_200000040189 [0,0,0,0,0,0|4,0,0]=4 645 B9R0.5 COCSCC(=O)NCO 62a_100000185155_100000766300 [0,0,0,0,0,0|4,0,0]=4 646 B9R0.5 COCSCC(=O)NCO 62a_100000766300_100000185155 [0,0,0,0,0,0|4,0,0]=4 647 B9R0.5 CSCC(=O)CCCC#N 1458a_100000184570_100000211468 [0,0,0,0,0,0|3,0,1]=4 648 B9R0.5 CSCC(=O)CCCCF 1458a_100000184570_100000729493 [0,0,0,0,0,0|3,0,0]=3 649 B9R0.5 CSCC(=O)CCCCO 1458a_100000184570_100000210776 [0,0,0,0,0,0|3,0,0]=3 650 B9R0.5 CSCC(=O)NCCCF 11a_100015189416_100000184570 [0,0,0,0,0,0|4,0,0]=4 651 B9R0.5 CSCC(=O)NCCCF 1626a_100015189416_100000184570 [0,0,0,0,0,0|4,0,0]=4 652 B9R0.5 CSCC(=O)NCCCF 240690a_100015189416_100000184570 [0,0,0,0,0,0|4,0,0]=4 653 B9R0.5 CSCC(=O)NCCCF 527a_100015189416_100000184570 [0,0,0,0,0,0|4,0,0]=4 654 B9R0.5 CSCC(=O)NCCCO 240690a_100000182051_100000184570 [0,0,0,0,0,0|4,0,0]=4 655 B9R0.5 CSCC(=O)NCCCO 527a_100000182051_100000184570 [0,0,0,0,0,0|4,0,0]=4 656 B9R0.5 CSCCCC(=O)CC#N 1458a_100000173376_100011214920 [0,0,0,0,0,0|3,0,1]=4 657 B9R0.5 CSCCCC(=O)CCF 1458a_100000173376_100011217306 [0,0,0,0,0,0|3,0,0]=3 658 B9R0.5 CSCCCC(=O)CCO 1458a_100000173376_100000211926 [0,0,0,0,0,0|3,0,0]=3 659 B9R0.5 CSCCNC(=O)CCO 240690a_100020590264_100011216618 [0,0,0,0,0,0|4,0,0]=4 660 B9R0.5 CSCCNC(=O)CSC 11a_100020590264_100000184570 [0,0,0,0,0,0|4,0,0]=4 661 B9R0.5 CSCCNC(=O)CSC 1626a_100020590264_100000184570 [0,0,0,0,0,0|4,0,0]=4 662 B9R0.5 CSCCNC(=O)CSC 240690a_100020590264_100000184570 [0,0,0,0,0,0|4,0,0]=4 663 B9R0.5 CSCCNC(=O)CSC 527a_100020590264_100000184570 [0,0,0,0,0,0|4,0,0]=4 664 B9R0.5 CSCSCC(=O)NCO 62a_100000185155_100011218213 [0,0,0,0,0,0|4,0,0]=4 665 B9R0.5 CSCSCC(=O)NCO 62a_100011218213_100000185155 [0,0,0,0,0,0|4,0,0]=4 666 B9R0.5 N#CCC(=O)CCCCF 1458a_100051588842_100000729493 [0,0,0,0,0,0|3,0,1]=4 667 B9R0.5 N#CCC(=O)CCCCO 1458a_100000695505_100011214920 [0,0,0,0,0,0|3,0,1]=4 668 B9R0.5 N#CCC(=O)CCCCO 1458a_100051588842_100000210776 [0,0,0,0,0,0|3,0,1]=4 669 B9R0.5 N#CCCCC(=O)CCF 1458a_100000075515_100011217306 [0,0,0,0,0,0|3,0,1]=4 670 B9R0.5 N#CCCCC(=O)CCO 1458a_100000075515_100000211926 [0,0,0,0,0,0|3,0,1]=4 671 B9R0.5 N#CCCCC(=O)CCO 1458a_100011216618_100000211468 [0,0,0,0,0,0|3,0,1]=4 672 B9R0.5 NCCOCC(=O)NCO 34a_100000210304_100000185155 [0,0,0,0,0,0|4,0,0]=4 673 B9R0.5 O=C(C=CBr)CCCCF 1458a_100016273825_100000729493 [0,0,0,0,0,0|3,0,1]=4 674 B9R0.5 O=C(C=CBr)CCCCO 1458a_100016273825_100000210776 [0,0,0,0,0,0|3,0,1]=4 675 B9R0.5 O=C(C=CCl)CCCCF 1458a_200016279998_100000729493 [0,0,0,0,0,0|3,0,1]=4 676 B9R0.5 O=C(C=CCl)CCCCO 1458a_200016279998_100000210776 [0,0,0,0,0,0|3,0,1]=4 677 B9R0.5 O=C(C=CI)CCCCF 1458a_100016256311_100000729493 [0,0,0,0,0,0|3,0,1]=4 678 B9R0.5 O=C(C=CI)CCCCO 1458a_100016256311_100000210776 [0,0,0,0,0,0|3,0,1]=4 679 B9R0.5 O=C(CCF)CCCCO 1458a_100000695505_100011217306 [0,0,0,0,0,0|3,0,0]=3 680 B9R0.5 O=C(CCF)COCCO 1458a_100000708028_100011217306 [0,0,0,0,0,0|4,0,0]=4 681 B9R0.5 O=C(CCO)CCCCF 1458a_100011216618_100000729493 [0,0,0,0,0,0|3,0,0]=3 682 B9R0.5 O=C(CCO)CCCCO 1458a_100000695505_100000211926 [0,0,0,0,0,0|3,0,0]=3 683 B9R0.5 O=C(CCO)CCCCO 1458a_100011216618_100000210776 [0,0,0,0,0,0|3,0,0]=3 684 B9R0.5 O=C(CCO)COCCO 1458a_100000708028_100000211926 [0,0,0,0,0,0|4,0,0]=4 685 B9R0.5 O=C(CCO)NCCCF 240690a_100015189416_100011216618 [0,0,0,0,0,0|4,0,0]=4 686 B9R0.5 O=C(CCO)NCCCO 240690a_100000182051_100011216618 [0,0,0,0,0,0|4,0,0]=4 687 B9R0.5 O=C(CNCCF)NCO 34a_100000724931_100000185155 [0,0,0,0,0,0|4,0,0]=4 688 B9R0.5 O=C(CNCCO)NCO 2230a_100016997473_100000185155 [0,0,0,0,0,0|4,0,0]=4 689 B9R0.5 O=C(CNCCO)NCO 34a_100016990907_100000185155 [0,0,0,0,0,0|4,0,0]=4 690 B9R0.5 O=C(COCCBr)NCO 34a_100000211926_100000185155 [0,0,0,0,0,0|4,0,0]=4 691 B9R0.5 O=C(CSCCF)NCO 62a_100000185155_100011217306 [0,0,0,0,0,0|4,0,0]=4 692 B9R0.5 O=C(CSCCF)NCO 62a_100011217306_100000185155 [0,0,0,0,0,0|4,0,0]=4 693 B9R0.5 O=C(CSCCO)NCO 62a_100000185155_100000211926 [0,0,0,0,0,0|4,0,0]=4 694 B9R0.5 O=C(CSCCO)NCO 62a_100000211926_100000185155 [0,0,0,0,0,0|4,0,0]=4 695 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,0,0,0,0,0|1,0,2]=4 696 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,0,0,0,0,0|1,0,2]=4 697 B8R0.1 C#CCCC(=O)CCC 1458a_100000211992_100000753159 [1,0,0,0,0,0|1,0,2]=4 698 B8R0.1 C#CCCC(=O)CCC 1458a_100000692101_100000210303 [1,0,0,0,0,0|1,0,2]=4 699 B8R0.1 C#CCCC(=O)NCC 11a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 700 B8R0.1 C#CCCC(=O)NCC 240690a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 701 B8R0.1 C#CCCC(=O)NCC 527a_100015525214_100000692101 [1,0,0,0,0,0|1,0,2]=4 702 B8R0.1 C/C=C/CC(=O)CCC 1458a_100000211992_100102629194 [1,0,0,0,0,0|1,0,2]=4 703 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,0,0,0,0,0|1,0,2]=4 704 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,0,0,0,0,0|1,0,2]=4 705 B8R0.1 C=CCCC(=O)CCC 1458a_100000211992_100000754431 [1,0,0,0,0,0|1,0,2]=4 706 B8R0.1 C=CCCC(=O)CCC 1458a_100000749702_100000210303 [1,0,0,0,0,0|1,0,2]=4 707 B8R0.1 C=CCCC(=O)NCC 11a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 708 B8R0.1 C=CCCC(=O)NCC 240690a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 709 B8R0.1 C=CCCC(=O)NCC 527a_100015525214_100000749702 [1,0,0,0,0,0|1,0,2]=4 710 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,0,0,0,0,0|1,0,2]=4 711 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,0,0,0,0,0|1,0,2]=4 712 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,0,0,0,0,0|1,0,2]=4 713 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,0,0,0,0,0|1,0,2]=4 714 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,0,0,0,0,0|1,0,1]=3 715 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,0,0,0,0,0|2,0,1]=4 716 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,0,0,0,0,0|2,0,1]=4 717 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,0,0,0,0,0|2,0,1]=4 718 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,0,0,0,0,0|2,0,1]=4 719 B8R0.1 CC#CCC(=O)CCC 1458a_100000211992_100000748600 [1,0,0,0,0,0|1,0,2]=4 720 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,0,0,0,0,0|1,0,1]=3 721 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,0,0,0,0,0|2,0,1]=4 722 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,0,0,0,0,0|2,0,1]=4 723 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,0,0,0,0,0|2,0,1]=4 724 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,0,0,0,0,0|2,0,1]=4 725 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 726 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 727 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,0,0,0,0,0|2,0,1]=4 728 B8R0.1 CC=CCC(=O)CCC 1458a_100000211992_100000070051 [1,0,0,0,0,0|1,0,2]=4 729 B8R0.1 CC=CCC(=O)CCC 1458a_100121576822_100000210303 [1,0,0,0,0,0|1,0,2]=4 730 B8R0.1 CC=CCC(=O)NCC 11a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 731 B8R0.1 CC=CCC(=O)NCC 240690a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 732 B8R0.1 CC=CCC(=O)NCC 527a_100015525214_100121576822 [1,0,0,0,0,0|1,0,2]=4 733 B8R0.1 CCC#CC(=O)CCC 1458a_100011827653_100000210303 [1,0,0,0,0,0|1,0,2]=4 734 B8R0.1 CCC=CC(=O)CCC 1458a_100000212282_100000210303 [1,0,0,0,0,0|1,0,2]=4 735 B8R0.1 CCC=CC(=O)NCC 11a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 736 B8R0.1 CCC=CC(=O)NCC 240690a_100015525214_100000212282 [1,0,0,0,0,0|1,0,2]=4 737 B8R0.1 CCCC(=O)CCC#N 1458a_100000211992_100011215226 [1,0,0,0,0,0|2,0,1]=4 738 B8R0.1 CCCC(=O)CCC#N 1458a_100011934036_100000210303 [1,0,0,0,0,0|2,0,1]=4 739 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,0,0,0,0,0|2,0,0]=3 740 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,0,0,0,0,0|2,0,0]=3 741 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,0,0,0,0,0|2,0,0]=3 742 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,0,0,0,0,0|2,0,0]=3 743 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,0,0,0,0,0|2,0,0]=3 744 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,0,0,0,0,0|2,0,0]=3 745 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,0,0,0,0,0|2,0,0]=3 746 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,0,0,0,0,0|2,0,0]=3 747 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,0,0,0,0,0|2,0,0]=3 748 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,0,0,0,0,0|2,0,0]=3 749 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,0,0,0,0,0|2,0,0]=3 750 B8R0.1 CCCC(=O)CSCF 62a_100000747444_100015361967 [1,0,0,0,0,0|3,0,0]=4 751 B8R0.1 CCCC(=O)CSCF 62a_100015361967_100000747444 [1,0,0,0,0,0|3,0,0]=4 752 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 753 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 754 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 755 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [1,0,0,0,0,0|3,0,0]=4 756 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 757 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [1,0,0,0,0,0|3,0,0]=4 758 B8R0.1 CCCC(=O)NNCC 22a_100000756455_100000211992 [1,0,0,0,0,0|3,0,0]=4 759 B8R0.1 CCCC(=O)OCNC 2230a_106832991635_100000034017 [1,0,0,0,0,0|3,0,0]=4 760 B8R0.1 CCCC(=O)OCNC 34a_100102657272_100000034017 [1,0,0,0,0,0|3,0,0]=4 761 B8R0.1 CCCC(=O)OCOC 34a_100138415774_100000034017 [1,0,0,0,0,0|3,0,0]=4 762 B8R0.1 CCCC(=O)OCSC 62a_200000210301_100000034017 [1,0,0,0,0,0|3,0,0]=4 763 B8R0.1 CCCC(=O)OCS[13CH3] 62a_200025704644_100000034017 [1,0,0,0,0,0|3,0,0]=4 764 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,0,0,0,0,0|2,0,1]=4 765 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,0,0,0,0,0|2,0,1]=4 766 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,0,0,0,0,0|2,0,1]=4 767 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,0,0,0,0,0|2,0,1]=4 768 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,0,0,0,0,0|2,0,1]=4 769 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,0,0,0,0,0|1,0,0]=2 770 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,0,0,0,0,0|1,0,0]=2 771 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,0,0,0,0,0|2,0,0]=3 772 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,0,0,0,0,0|2,0,0]=3 773 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,0,0,0,0,0|2,0,0]=3 774 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,0,0,0,0,0|2,0,0]=3 775 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,0,0,0,0,0|2,0,0]=3 776 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 777 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 778 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,0,0,0,0,0|1,0,0]=2 779 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,0,0,0,0,0|2,0,0]=3 780 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [1,0,0,0,0,0|2,0,1]=4 781 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [1,0,0,0,0,0|2,0,1]=4 782 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [1,0,0,0,0,0|2,0,1]=4 783 B8R0.1 CCCCC(C)OCC 34a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 784 B8R0.1 CCCCC(C)OCC 34a_100121572206_200011215066 [1,0,0,0,0,0|1,0,1]=3 785 B8R0.1 CCCCC(C)OCC 7a_100000687866_100000210202 [1,0,0,0,0,0|1,0,1]=3 786 B8R0.1 CCCCC(C)OCF 34a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 787 B8R0.1 CCCCC(C)OCF 7a_100000687866_100015361967 [1,0,0,0,0,0|2,0,1]=4 788 B8R0.1 CCCCC(C)SCC 62a_100000210202_200011215066 [1,0,0,0,0,0|1,1,1]=4 789 B8R0.1 CCCCC(C)SCC 62a_200011215066_100000210202 [1,0,0,0,0,0|1,1,1]=4 790 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 791 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 792 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 793 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [1,0,0,0,0,0|3,0,0]=4 794 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [1,0,0,0,0,0|3,0,0]=4 795 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [1,0,0,0,0,0|3,0,0]=4 796 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 797 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [1,0,0,0,0,0|3,0,0]=4 798 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 799 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 800 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 801 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,0,0,0,0,0|2,0,0]=3 802 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,0,0,0,0,0|3,0,0]=4 803 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,0,0,0,0,0|3,0,0]=4 804 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 805 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,0,0,0,0,0|3,0,0]=4 806 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,0,0,0,0,0|3,0,0]=4 807 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,0,0,0,0,0|3,0,0]=4 808 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 809 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 810 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 811 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,0,0,0,0,0|3,0,0]=4 812 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,0,0,0,0,0|3,0,0]=4 813 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 814 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 815 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 816 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,0,0,0,0,0|3,0,0]=4 817 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,0,0,0,0,0|3,0,0]=4 818 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,0,0,0,0,0|3,0,0]=4 819 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,0,0,0,0,0|3,0,0]=4 820 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,0,0,0,0,0|3,0,0]=4 821 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 822 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 823 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 824 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 825 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,0,0,0,0,0|2,0,0]=3 826 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,0,0,0,0,0|2,0,0]=3 827 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 828 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,0,0,0,0,0|3,0,0]=4 829 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,0,0,0,0,0|3,0,0]=4 830 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 831 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,0,0,0,0,0|3,0,0]=4 832 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,0,0,0,0,0|3,0,0]=4 833 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,0,0,0,0,0|3,0,0]=4 834 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,0,0,0,0,0|3,0,0]=4 835 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,0,0,0,0,0|3,0,0]=4 836 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,0,0,0,0,0|3,0,0]=4 837 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,0,0,0,0,0|3,0,0]=4 838 B8R0.1 CCNC(=O)CCC#N 11a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 839 B8R0.1 CCNC(=O)CCC#N 240690a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 840 B8R0.1 CCNC(=O)CCC#N 527a_100015525214_100011934036 [1,0,0,0,0,0|2,0,1]=4 841 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 842 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,0,0,0,0,0|2,0,0]=3 843 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,0,0,0,0,0|2,0,0]=3 844 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,0,0,0,0,0|2,0,0]=3 845 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 846 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 847 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,0,0,0,0,0|2,0,0]=3 848 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 849 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 850 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,0,0,0,0,0|2,0,0]=3 851 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,0,0,0,0,0|2,0,0]=3 852 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,0,0,0,0,0|2,0,0]=3 853 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,0,0,0,0,0|2,0,0]=3 854 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,0,0,0,0,0|2,0,0]=3 855 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 856 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 857 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,0,0,0,0,0|2,0,0]=3 858 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,0,0,0,0,0|2,0,0]=3 859 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 860 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 861 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,0,0,0,0,0|2,0,0]=3 862 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,0,0,0,0,0|2,0,0]=3 863 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,0,0,0,0,0|2,0,0]=3 864 B8R0.1 CCNC(=O)CSCF 62a_100000183381_100015361967 [1,0,0,0,0,0|3,0,0]=4 865 B8R0.1 CCNC(=O)CSCF 62a_100015361967_100000183381 [1,0,0,0,0,0|3,0,0]=4 866 B8R0.1 CCNC(=O)NCCF 2708a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 867 B8R0.1 CCNC(=O)NCCF 273464a_100000724931_100015525214 [1,0,0,0,0,0|3,0,0]=4 868 B8R0.1 CCNC(=O)NCCF 273464a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 869 B8R0.1 CCNC(=O)NCCF 512a_100015525214_100000724931 [1,0,0,0,0,0|3,0,0]=4 870 B8R0.1 CCNC(=O)NCCO 2708a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 871 B8R0.1 CCNC(=O)NCCO 273464a_100000210304_100015525214 [1,0,0,0,0,0|3,0,0]=4 872 B8R0.1 CCNC(=O)NCCO 273464a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 873 B8R0.1 CCNC(=O)NCCO 512a_100015525214_100000210304 [1,0,0,0,0,0|3,0,0]=4 874 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,0,0,0,0,0|2,0,0]=3 875 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,0,0,0,0,0|2,0,0]=3 876 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,0,0,0,0,0|3,0,0]=4 877 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,0,0,0,0,0|1,0,0]=2 878 B8R0.1 CCNNC(=O)NCC 273464a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 879 B8R0.1 CCNNC(=O)NCC 512a_100000756455_100015525214 [1,0,0,0,0,0|3,0,0]=4 880 B8R0.1 CCNNC(=O)NCC 512a_100015525214_100000756455 [1,0,0,0,0,0|3,0,0]=4 881 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 882 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,0,0,0,0,0|1,0,0]=2 883 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,0,0,0,0,0|1,0,0]=2 884 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,0,0,0,0,0|1,0,0]=2 885 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,0,0,0,0,0|1,0,0]=2 886 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,0,0,0,0,0|1,0,0]=2 887 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,0,0,0,0,0|1,0,0]=2 888 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,0,0,0,0,0|1,0,0]=2 889 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,0,0,0,0,0|1,0,0]=2 890 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,0,0,0,0,0|1,0,0]=2 891 B8R0.1 CCOC(=O)CSCF 62a_100000188475_100015361967 [1,0,0,0,0,0|2,0,0]=3 892 B8R0.1 CCOC(=O)CSCF 62a_100015361967_100000188475 [1,0,0,0,0,0|2,0,0]=3 893 B8R0.1 CCOC(=O)OCSC 62a_200000210301_100000075025 [1,0,0,0,0,0|2,0,0]=3 894 B8R0.1 CCOC(=O)OCS[13CH3] 62a_200025704644_100000075025 [1,0,0,0,0,0|2,0,0]=3 895 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 896 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [1,0,0,0,0,0|2,0,1]=4 897 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,0,0,0,0,0|3,0,0]=4 898 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,0,0,0,0,0|3,0,0]=4 899 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,0,0,0,0,0|3,0,0]=4 900 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,0,0,0,0,0|3,0,0]=4 901 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,0,0,0,0,0|1,0,0]=2 902 B8R0.1 CCOCC(C)OCC 34a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 903 B8R0.1 CCOCC(C)OCC 7a_100000718985_100000210202 [1,0,0,0,0,0|2,0,1]=4 904 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,0,0,0,0,0|3,0,0]=4 905 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,0,0,0,0,0|3,0,0]=4 906 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,0,0,0,0,0|3,0,0]=4 907 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,0,0,0,0,0|3,0,0]=4 908 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,0,0,0,0,0|3,0,0]=4 909 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,0,0,0,0,0|3,0,0]=4 910 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,0,0,0,0,0|3,0,0]=4 911 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,0,0,0,0,0|3,0,0]=4 912 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,0,0,0,0,0|3,0,0]=4 913 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,0,0,0,0,0|3,0,0]=4 914 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,0,0,0,0,0|3,0,0]=4 915 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,0,0,0,0,0|3,0,0]=4 916 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,0,0,0,0,0|3,0,0]=4 917 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,0,0,0,0,0|3,0,0]=4 918 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,0,0,0,0,0|3,0,0]=4 919 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,0,0,0,0,0|3,0,0]=4 920 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,0,0,0,0,0|3,0,0]=4 921 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,0,0,0,0,0|3,0,0]=4 922 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,0,0,0,0,0|3,0,0]=4 923 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,0,0,0,0,0|3,0,0]=4 924 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,0,0,0,0,0|3,0,0]=4 925 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,0,0,0,0,0|3,0,0]=4 926 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,0,0,0,0,0|3,0,0]=4 927 B8R0.4 C#CCCCCOCC 34a_100000766709_100000210202 [1,0,0,0,0,0|0,0,3]=4 928 B8R0.4 C#CCCCCOCC 34a_100121572206_100010269958 [1,0,0,0,0,0|0,0,3]=4 929 B8R0.4 C#CCCCCOCC 7a_100000766709_100000210202 [1,0,0,0,0,0|0,0,3]=4 930 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [1,0,0,0,0,0|0,0,3]=4 931 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [1,0,0,0,0,0|0,0,3]=4 932 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [1,0,0,0,0,0|0,0,3]=4 933 B8R0.4 CC/C=C/CCCOC 34a_100016287902_200000210301 [1,0,0,0,0,0|2,0,0]=3 934 B8R0.4 CC/C=C/CCCOC 7a_100016287902_200000210301 [1,0,0,0,0,0|2,0,0]=3 935 B8R0.4 CC/C=C/CCCO[13CH3] 34a_100016287902_200025704644 [1,0,0,0,0,0|2,0,0]=3 936 B8R0.4 CC/C=C/CCCO[13CH3] 7a_100016287902_200025704644 [1,0,0,0,0,0|2,0,0]=3 937 B8R0.4 CC/C=C\CCNCC 2230a_100015525214_100015370543 [1,0,0,0,0,0|2,0,0]=3 938 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|2,0,0]=3 939 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|2,0,0]=3 940 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|2,0,0]=3 941 B8R0.4 CC/C=C\CCOCF 34a_100016288707_100015361967 [1,0,0,0,0,0|3,0,0]=4 942 B8R0.4 CC/C=C\CCOCF 7a_100016288707_100015361967 [1,0,0,0,0,0|3,0,0]=4 943 B8R0.4 CC/C=C\CCSCC 62a_100000210202_100015370543 [1,0,0,0,0,0|2,0,0]=3 944 B8R0.4 CC/C=C\CCSCC 62a_100015370543_100000210202 [1,0,0,0,0,0|2,0,0]=3 945 B8R0.4 CC/C=C\CCSCF 62a_100015361967_100015370543 [1,0,0,0,0,0|3,0,0]=4 946 B8R0.4 CC/C=C\CCSCF 62a_100015370543_100015361967 [1,0,0,0,0,0|3,0,0]=4 947 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [1,0,0,0,0,0|3,0,0]=4 948 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [1,0,0,0,0,0|3,0,0]=4 949 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [1,0,0,0,0,0|3,0,0]=4 950 B8R0.4 CC/C=C\COCCBr 34a_100000211926_100103147603 [1,0,0,0,0,0|3,0,0]=4 951 B8R0.4 CC/C=C\COCCC 34a_100000210258_100103147603 [1,0,0,0,0,0|2,0,0]=3 952 B8R0.4 CC/C=C\COCCC 34a_100016268518_100000210303 [1,0,0,0,0,0|2,0,0]=3 953 B8R0.4 CC/C=C\COCCF 34a_100016268518_100011217306 [1,0,0,0,0,0|3,0,0]=4 954 B8R0.4 CC/C=C\COCCN 34a_100000210304_100103147603 [1,0,0,0,0,0|3,0,0]=4 955 B8R0.4 CC/C=C\COCCO 34a_100016268518_100000211926 [1,0,0,0,0,0|3,0,0]=4 956 B8R0.4 CC/C=C\COCSC 34a_100016268518_100011218213 [1,0,0,0,0,0|3,0,0]=4 957 B8R0.4 CC/C=C\CSCCC 62a_100000210303_100103147603 [1,0,0,0,0,0|2,0,0]=3 958 B8R0.4 CC/C=C\CSCCC 62a_100103147603_100000210303 [1,0,0,0,0,0|2,0,0]=3 959 B8R0.4 CC/C=C\CSCCF 62a_100011217306_100103147603 [1,0,0,0,0,0|3,0,0]=4 960 B8R0.4 CC/C=C\CSCCF 62a_100103147603_100011217306 [1,0,0,0,0,0|3,0,0]=4 961 B8R0.4 CC/C=C\CSCCO 62a_100000211926_100103147603 [1,0,0,0,0,0|3,0,0]=4 962 B8R0.4 CC/C=C\CSCCO 62a_100103147603_100000211926 [1,0,0,0,0,0|3,0,0]=4 963 B8R0.4 CC/C=C\CSCOC 62a_100000766300_100103147603 [1,0,0,0,0,0|3,0,0]=4 964 B8R0.4 CC/C=C\CSCOC 62a_100103147603_100000766300 [1,0,0,0,0,0|3,0,0]=4 965 B8R0.4 CC/C=C\CSCSC 62a_100011218213_100103147603 [1,0,0,0,0,0|3,0,0]=4 966 B8R0.4 CC/C=C\CSCSC 62a_100103147603_100011218213 [1,0,0,0,0,0|3,0,0]=4 967 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|2,0,1]=4 968 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|0,0,3]=4 969 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [1,0,0,0,0,0|2,0,1]=4 970 B8R0.4 CCC#CCCOCC 34a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 971 B8R0.4 CCC#CCCOCC 7a_100000036655_100000210202 [1,0,0,0,0,0|0,0,3]=4 972 B8R0.4 CCC#CCOCCC 34a_100000032950_100000210303 [1,0,0,0,0,0|2,0,1]=4 973 B8R0.4 CCC#CCOCCC 34a_100000210258_100009813939 [1,0,0,0,0,0|2,0,1]=4 974 B8R0.4 CCC#CCSCCC 62a_100000210303_100009813939 [1,0,0,0,0,0|2,0,1]=4 975 B8R0.4 CCC#CCSCCC 62a_100009813939_100000210303 [1,0,0,0,0,0|2,0,1]=4 976 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 977 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 978 B8R0.4 CCC=NNCCCC 4a_100025702795_100000210100 [1,0,0,0,0,0|3,0,0]=4 979 B8R0.4 CCCC#CCOCC 34a_100000034806_100000210202 [1,0,0,0,0,0|0,0,3]=4 980 B8R0.4 CCCC#CCOCC 7a_100000034806_100000210202 [1,0,0,0,0,0|0,0,3]=4 981 B8R0.4 CCCC/C=C/COC 34a_200016272032_200000210301 [1,0,0,0,0,0|2,0,1]=4 982 B8R0.4 CCCC/C=C/COC 7a_200016272032_200000210301 [1,0,0,0,0,0|2,0,1]=4 983 B8R0.4 CCCC/C=C/CO[13CH3] 34a_200016272032_200025704644 [1,0,0,0,0,0|2,0,1]=4 984 B8R0.4 CCCC/C=C/CO[13CH3] 7a_200016272032_200025704644 [1,0,0,0,0,0|2,0,1]=4 985 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [1,0,0,0,0,0|3,0,0]=4 986 B8R0.4 CCCCC=NNCC 4a_100000756455_100000210104 [1,0,0,0,0,0|2,0,1]=4 987 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [1,0,0,0,0,0|2,0,1]=4 988 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [1,0,0,0,0,0|2,0,1]=4 989 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [1,0,0,0,0,0|2,0,1]=4 990 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [1,0,0,0,0,0|2,0,1]=4 991 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [1,0,0,0,0,0|2,0,1]=4 992 B8R0.4 CCCCCCCOC 34a_100000210272_200000210301 [1,0,0,0,0,0|2,0,1]=4 993 B8R0.4 CCCCCCCOC 34a_100138415774_100000210614 [1,0,0,0,0,0|2,0,1]=4 994 B8R0.4 CCCCCCCOC 7a_100000210272_200000210301 [1,0,0,0,0,0|2,0,1]=4 995 B8R0.4 CCCCCCCO[13CH3] 34a_100000210272_200025704644 [1,0,0,0,0,0|2,0,1]=4 996 B8R0.4 CCCCCCCO[13CH3] 7a_100000210272_200025704644 [1,0,0,0,0,0|2,0,1]=4 997 B8R0.4 CCCCCCCSC 62a_100000210614_200000210301 [1,0,0,0,0,0|2,0,1]=4 998 B8R0.4 CCCCCCCSC 62a_200000210301_100000210316 [1,0,0,0,0,0|2,0,1]=4 999 B8R0.4 CCCCCCCS[13CH3] 62a_100000210614_200025704644 [1,0,0,0,0,0|2,0,1]=4 1000 B8R0.4 CCCCCCCS[13CH3] 62a_200025704644_100000210316 [1,0,0,0,0,0|2,0,1]=4 1001 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [1,0,0,0,0,0|1,0,1]=3 1002 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [1,0,0,0,0,0|1,0,1]=3 1003 B8R0.4 CCCCCCOCC 34a_100000210259_100000210202 [1,0,0,0,0,0|0,0,1]=2 1004 B8R0.4 CCCCCCOCC 34a_100121572206_100000210314 [1,0,0,0,0,0|0,0,1]=2 1005 B8R0.4 CCCCCCOCC 7a_100000210259_100000210202 [1,0,0,0,0,0|0,0,1]=2 1006 B8R0.4 CCCCCCOCF 34a_100000210259_100015361967 [1,0,0,0,0,0|1,0,1]=3 1007 B8R0.4 CCCCCCOCF 7a_100000210259_100015361967 [1,0,0,0,0,0|1,0,1]=3 1008 B8R0.4 CCCCCCSCC 62a_100000210202_100000210757 [1,0,0,0,0,0|0,1,1]=3 1009 B8R0.4 CCCCCCSCC 62a_100000210314_100000210202 [1,0,0,0,0,0|0,1,1]=3 1010 B8R0.4 CCCCCCSCF 62a_100000210314_100015361967 [1,0,0,0,0,0|1,1,1]=4 1011 B8R0.4 CCCCCCSCF 62a_100015361967_100000210757 [1,0,0,0,0,0|1,1,1]=4 1012 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [1,0,0,0,0,0|2,0,0]=3 1013 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [1,0,0,0,0,0|3,0,0]=4 1014 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [1,0,0,0,0,0|3,0,0]=4 1015 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [1,0,0,0,0,0|3,0,0]=4 1016 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [1,0,0,0,0,0|3,0,0]=4 1017 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [1,0,0,0,0,0|3,0,0]=4 1018 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [1,0,0,0,0,0|3,0,0]=4 1019 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [1,0,0,0,0,0|3,0,0]=4 1020 B8R0.4 CCCCCOCCBr 34a_100000211926_100000718602 [1,0,0,0,0,0|3,0,0]=4 1021 B8R0.4 CCCCCOCCC 34a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 1022 B8R0.4 CCCCCOCCC 34a_100000210258_100000718602 [1,0,0,0,0,0|2,0,0]=3 1023 B8R0.4 CCCCCOCCC 7a_100000210253_100000210303 [1,0,0,0,0,0|2,0,0]=3 1024 B8R0.4 CCCCCOCCF 34a_100000210253_100011217306 [1,0,0,0,0,0|3,0,0]=4 1025 B8R0.4 CCCCCOCCF 7a_100000210253_100011217306 [1,0,0,0,0,0|3,0,0]=4 1026 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [1,0,0,0,0,0|3,0,0]=4 1027 B8R0.4 CCCCCOCCO 34a_100000210253_100000211926 [1,0,0,0,0,0|3,0,0]=4 1028 B8R0.4 CCCCCOCCO 7a_100000210253_100000211926 [1,0,0,0,0,0|3,0,0]=4 1029 B8R0.4 CCCCCOCSC 34a_100000210253_100011218213 [1,0,0,0,0,0|3,0,0]=4 1030 B8R0.4 CCCCCSCCC 62a_100000210303_100000210326 [1,0,0,0,0,0|2,0,0]=3 1031 B8R0.4 CCCCCSCCC 62a_100000210326_100000210303 [1,0,0,0,0,0|2,0,0]=3 1032 B8R0.4 CCCCCSCCF 62a_100000210326_100011217306 [1,0,0,0,0,0|3,0,0]=4 1033 B8R0.4 CCCCCSCCF 62a_100011217306_100000210326 [1,0,0,0,0,0|3,0,0]=4 1034 B8R0.4 CCCCCSCCO 62a_100000210326_100000211926 [1,0,0,0,0,0|3,0,0]=4 1035 B8R0.4 CCCCCSCCO 62a_100000211926_100000210326 [1,0,0,0,0,0|3,0,0]=4 1036 B8R0.4 CCCCCSCOC 62a_100000210326_100000766300 [1,0,0,0,0,0|3,0,0]=4 1037 B8R0.4 CCCCCSCOC 62a_100000766300_100000210326 [1,0,0,0,0,0|3,0,0]=4 1038 B8R0.4 CCCCCSCSC 62a_100000210326_100011218213 [1,0,0,0,0,0|3,0,0]=4 1039 B8R0.4 CCCCCSCSC 62a_100011218213_100000210326 [1,0,0,0,0,0|3,0,0]=4 1040 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [1,0,0,0,0,0|2,0,1]=4 1041 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [1,0,0,0,0,0|2,0,1]=4 1042 B8R0.4 CCCCOCCCC 34a_100000210227_100000210210 [1,0,0,0,0,0|2,0,1]=4 1043 B8R0.4 CCCCOCCCC 7a_100000210227_100000210211 [1,0,0,0,0,0|2,0,1]=4 1044 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [1,0,0,0,0,0|2,0,1]=4 1045 B8R0.4 CCCCOCOCC 34a_100121572206_100011995733 [1,0,0,0,0,0|1,0,1]=3 1046 B8R0.4 CCCCOCSCC 62a_100000210202_100011995733 [1,0,0,0,0,0|1,1,1]=4 1047 B8R0.4 CCCCOCSCC 62a_100011995733_100000210202 [1,0,0,0,0,0|1,1,1]=4 1048 B8R0.4 CCCCSCCCC 62a_100000210211_100000210210 [1,0,0,0,0,0|2,0,1]=4 1049 B8R0.4 CCCCSCOCC 62a_100000210211_100000739092 [1,0,0,0,0,0|1,0,1]=3 1050 B8R0.4 CCCCSCOCC 62a_100000739092_100000210210 [1,0,0,0,0,0|1,0,1]=3 1051 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [1,0,0,0,0,0|3,0,0]=4 1052 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [1,0,0,0,0,0|3,0,0]=4 1053 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [1,0,0,0,0,0|3,0,0]=4 1054 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [1,0,0,0,0,0|3,0,0]=4 1055 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [1,0,0,0,0,0|1,0,1]=3 1056 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [1,0,0,0,0,0|1,0,1]=3 1057 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [1,0,0,0,0,0|1,1,1]=4 1058 B8R0.4 CCCOCCCCBr 34a_100011216708_100000210303 [1,0,0,0,0,0|3,0,0]=4 1059 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [1,0,0,0,0,0|3,0,0]=4 1060 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [1,0,0,0,0,0|3,0,0]=4 1061 B8R0.4 CCCOCCCCF 34a_100000210258_100000729493 [1,0,0,0,0,0|3,0,0]=4 1062 B8R0.4 CCCOCCCCF 34a_100011995726_100000210303 [1,0,0,0,0,0|3,0,0]=4 1063 B8R0.4 CCCOCCCCF 7a_100011995726_100000210303 [1,0,0,0,0,0|3,0,0]=4 1064 B8R0.4 CCCOCCCCI 34a_200012148704_100000210303 [1,0,0,0,0,0|3,0,0]=4 1065 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [1,0,0,0,0,0|3,0,0]=4 1066 B8R0.4 CCCOCCCCO 34a_100000210258_100011216708 [1,0,0,0,0,0|3,0,0]=4 1067 B8R0.4 CCCOCCCNC 2230a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1068 B8R0.4 CCCOCCCNC 34a_100000213112_100000210303 [1,0,0,0,0,0|3,0,0]=4 1069 B8R0.4 CCCOCCCNC 34a_100011217757_200000210301 [1,0,0,0,0,0|3,0,0]=4 1070 B8R0.4 CCCOCCCN[13CH3] 2230a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1071 B8R0.4 CCCOCCCN[13CH3] 34a_100011217757_200025704644 [1,0,0,0,0,0|3,0,0]=4 1072 B8R0.4 CCCOCCCOC 34a_100000210258_100000740836 [1,0,0,0,0,0|3,0,0]=4 1073 B8R0.4 CCCOCCCOC 34a_100000740835_100000210303 [1,0,0,0,0,0|3,0,0]=4 1074 B8R0.4 CCCOCCCSC 34a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 1075 B8R0.4 CCCOCCCSC 7a_100000690336_100000210303 [1,0,0,0,0,0|3,0,0]=4 1076 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [1,0,0,0,0,0|2,0,1]=4 1077 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1078 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [1,0,0,0,0,0|2,0,1]=4 1079 B8R0.4 CCCOCCOCC 34a_100000210136_100000210303 [1,0,0,0,0,0|1,0,1]=3 1080 B8R0.4 CCCOCCOCC 34a_100000210258_100000210147 [1,0,0,0,0,0|1,0,1]=3 1081 B8R0.4 CCCOCCOCC 34a_100000752267_100000210202 [1,0,0,0,0,0|1,0,1]=3 1082 B8R0.4 CCCOCCOCC 34a_100121572206_100011215938 [1,0,0,0,0,0|1,0,1]=3 1083 B8R0.4 CCCOCCOCC 7a_100000210136_100000210303 [1,0,0,0,0,0|1,0,1]=3 1084 B8R0.4 CCCOCCOCC 7a_100000752267_100000210202 [1,0,0,0,0,0|1,0,1]=3 1085 B8R0.4 CCCOCCOCF 34a_100000752267_100015361967 [1,0,0,0,0,0|2,0,1]=4 1086 B8R0.4 CCCOCCOCF 7a_100000752267_100015361967 [1,0,0,0,0,0|2,0,1]=4 1087 B8R0.4 CCCOCCSCC 34a_100000210258_100000757381 [1,0,0,0,0,0|1,1,1]=4 1088 B8R0.4 CCCOCCSCC 34a_100000212035_100000210303 [1,0,0,0,0,0|1,1,1]=4 1089 B8R0.4 CCCOCCSCC 62a_100000210202_100011215938 [1,0,0,0,0,0|1,1,1]=4 1090 B8R0.4 CCCOCCSCC 62a_100011215938_100000210202 [1,0,0,0,0,0|1,1,1]=4 1091 B8R0.4 CCCOCCSCC 7a_100000212035_100000210303 [1,0,0,0,0,0|1,1,1]=4 1092 B8R0.4 CCCSCCCCF 62a_100000210303_100000729493 [1,0,0,0,0,0|3,0,0]=4 1093 B8R0.4 CCCSCCCCF 62a_100000729493_100000210303 [1,0,0,0,0,0|3,0,0]=4 1094 B8R0.4 CCCSCCCCO 62a_100000210303_100000210776 [1,0,0,0,0,0|3,0,0]=4 1095 B8R0.4 CCCSCCCCO 62a_100000210776_100000210303 [1,0,0,0,0,0|3,0,0]=4 1096 B8R0.4 CCCSCCCOC 62a_100000210303_100000709357 [1,0,0,0,0,0|3,0,0]=4 1097 B8R0.4 CCCSCCCOC 62a_100000709357_100000210303 [1,0,0,0,0,0|3,0,0]=4 1098 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [1,0,0,0,0,0|2,0,1]=4 1099 B8R0.4 CCCSCCOCC 34a_200000230433_100000210202 [1,0,0,0,0,0|1,0,1]=3 1100 B8R0.4 CCCSCCOCC 62a_100000210147_100000210303 [1,0,0,0,0,0|1,0,1]=3 1101 B8R0.4 CCCSCCOCC 62a_100000210303_100011215890 [1,0,0,0,0,0|1,0,1]=3 1102 B8R0.4 CCCSCCOCC 7a_200000230433_100000210202 [1,0,0,0,0,0|1,0,1]=3 1103 B8R0.4 CCCSCCOCF 34a_200000230433_100015361967 [1,0,0,0,0,0|2,0,1]=4 1104 B8R0.4 CCCSCCOCF 7a_200000230433_100015361967 [1,0,0,0,0,0|2,0,1]=4 1105 B8R0.4 CCCSCCSCC 62a_100000210303_100000757381 [1,0,0,0,0,0|1,1,1]=4 1106 B8R0.4 CCCSCCSCC 62a_100000757381_100000210303 [1,0,0,0,0,0|1,1,1]=4 1107 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [1,0,0,0,0,0|2,0,1]=4 1108 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 1109 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [1,0,0,0,0,0|2,0,1]=4 1110 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [1,0,0,0,0,0|2,0,1]=4 1111 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [1,0,0,0,0,0|2,0,1]=4 1112 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [1,0,0,0,0,0|1,0,1]=3 1113 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [1,0,0,0,0,0|1,0,1]=3 1114 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [1,0,0,0,0,0|1,0,1]=3 1115 B8R0.4 CCOCCCCCBr 34a_100000746331_100000210202 [1,0,0,0,0,0|1,0,1]=3 1116 B8R0.4 CCOCCCCCBr 7a_100000746331_100000210202 [1,0,0,0,0,0|1,0,1]=3 1117 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [1,0,0,0,0,0|1,0,1]=3 1118 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [1,0,0,0,0,0|1,0,1]=3 1119 B8R0.4 CCOCCCCCF 34a_100121572206_100000729378 [1,0,0,0,0,0|1,0,1]=3 1120 B8R0.4 CCOCCCCCI 34a_200012148887_100000210202 [1,0,0,0,0,0|1,0,1]=3 1121 B8R0.4 CCOCCCCCI 7a_200012148887_100000210202 [1,0,0,0,0,0|1,0,1]=3 1122 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [1,0,0,0,0,0|1,0,1]=3 1123 B8R0.4 CCOCCCCCO 34a_100121572206_100000746330 [1,0,0,0,0,0|1,0,1]=3 1124 B8R0.4 CCOCCCCOC 34a_100000740925_100000210202 [1,0,0,0,0,0|1,0,1]=3 1125 B8R0.4 CCOCCCCOC 34a_100121572206_100000755781 [1,0,0,0,0,0|1,0,1]=3 1126 B8R0.4 CCOCCCCSC 34a_100011217163_100000210202 [1,0,0,0,0,0|1,0,1]=3 1127 B8R0.4 CCOCCCCSC 7a_100011217163_100000210202 [1,0,0,0,0,0|1,0,1]=3 1128 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [1,0,0,0,0,0|2,0,1]=4 1129 B8R0.4 CCOCCCOCC 34a_100000757476_100000210202 [1,0,0,0,0,0|1,0,1]=3 1130 B8R0.4 CCOCCCOCC 34a_100121572206_100012232248 [1,0,0,0,0,0|1,0,1]=3 1131 B8R0.4 CCOCCCOCC 7a_100000757476_100000210202 [1,0,0,0,0,0|1,0,1]=3 1132 B8R0.4 CCOCCCOCF 34a_100000757476_100015361967 [1,0,0,0,0,0|2,0,1]=4 1133 B8R0.4 CCOCCCOCF 7a_100000757476_100015361967 [1,0,0,0,0,0|2,0,1]=4 1134 B8R0.4 CCOCCCSCC 34a_100011216438_100000210202 [1,0,0,0,0,0|1,0,1]=3 1135 B8R0.4 CCOCCCSCC 62a_100000210202_100012232248 [1,0,0,0,0,0|1,0,1]=3 1136 B8R0.4 CCOCCCSCC 62a_100012232248_100000210202 [1,0,0,0,0,0|1,0,1]=3 1137 B8R0.4 CCOCCCSCC 7a_100011216438_100000210202 [1,0,0,0,0,0|1,0,1]=3 1138 B8R0.4 CCOCCCSCF 62a_100012232248_100015361967 [1,0,0,0,0,0|2,0,1]=4 1139 B8R0.4 CCOCCCSCF 62a_100015361967_100012232248 [1,0,0,0,0,0|2,0,1]=4 1140 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [1,0,0,0,0,0|2,0,1]=4 1141 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [1,0,0,0,0,0|2,0,1]=4 1142 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [1,0,0,0,0,0|2,0,1]=4 1143 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [1,0,0,0,0,0|2,0,1]=4 1144 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 1145 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [1,0,0,0,0,0|2,0,1]=4 1146 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [1,0,0,0,0,0|2,0,1]=4 1147 B8R0.4 CCOCCNCOC 2230a_102516460346_100000766300 [1,0,0,0,0,0|2,0,1]=4 1148 B8R0.4 CCOCCNCSC 2230a_102516460346_100011218213 [1,0,0,0,0,0|2,0,1]=4 1149 B8R0.4 CCOCCNCSC 34a_102516460346_100011218213 [1,0,0,0,0,0|2,0,1]=4 1150 B8R0.4 CCOCCOCCBr 34a_100000211926_100000210147 [1,0,0,0,0,0|2,0,1]=4 1151 B8R0.4 CCOCCOCCBr 34a_100000692535_100000210202 [1,0,0,0,0,0|2,0,1]=4 1152 B8R0.4 CCOCCOCCBr 7a_100000692535_100000210202 [1,0,0,0,0,0|2,0,1]=4 1153 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [1,0,0,0,0,0|2,0,1]=4 1154 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [1,0,0,0,0,0|2,0,1]=4 1155 B8R0.4 CCOCCOCCF 34a_100000210136_100011217306 [1,0,0,0,0,0|2,0,1]=4 1156 B8R0.4 CCOCCOCCF 34a_200015357709_100000210202 [1,0,0,0,0,0|2,0,1]=4 1157 B8R0.4 CCOCCOCCF 7a_100000210136_100011217306 [1,0,0,0,0,0|2,0,1]=4 1158 B8R0.4 CCOCCOCCF 7a_200015357709_100000210202 [1,0,0,0,0,0|2,0,1]=4 1159 B8R0.4 CCOCCOCCI 34a_100012149058_100000210202 [1,0,0,0,0,0|2,0,1]=4 1160 B8R0.4 CCOCCOCCI 7a_100012149058_100000210202 [1,0,0,0,0,0|2,0,1]=4 1161 B8R0.4 CCOCCOCCN 34a_100000210304_100000210147 [1,0,0,0,0,0|2,0,1]=4 1162 B8R0.4 CCOCCOCCN 34a_100000211614_100000210202 [1,0,0,0,0,0|2,0,1]=4 1163 B8R0.4 CCOCCOCCO 34a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 1164 B8R0.4 CCOCCOCCO 34a_100121572206_100000692535 [1,0,0,0,0,0|2,0,1]=4 1165 B8R0.4 CCOCCOCCO 7a_100000210136_100000211926 [1,0,0,0,0,0|2,0,1]=4 1166 B8R0.4 CCOCCOCSC 34a_100000210136_100011218213 [1,0,0,0,0,0|2,0,1]=4 1167 B8R0.4 CCOCCSCCF 62a_100000210147_100011217306 [1,0,0,0,0,0|2,0,1]=4 1168 B8R0.4 CCOCCSCCF 62a_100011217306_100011215890 [1,0,0,0,0,0|2,0,1]=4 1169 B8R0.4 CCOCCSCCO 62a_100000210147_100000211926 [1,0,0,0,0,0|2,0,1]=4 1170 B8R0.4 CCOCCSCCO 62a_100000211926_100011215890 [1,0,0,0,0,0|2,0,1]=4 1171 B8R0.4 CCOCCSCOC 62a_100000210147_100000766300 [1,0,0,0,0,0|2,0,1]=4 1172 B8R0.4 CCOCCSCOC 62a_100000766300_100011215890 [1,0,0,0,0,0|2,0,1]=4 1173 B8R0.4 CCOCCSCSC 62a_100000210147_100011218213 [1,0,0,0,0,0|2,0,1]=4 1174 B8R0.4 CCOCCSCSC 62a_100011218213_100011215890 [1,0,0,0,0,0|2,0,1]=4 1175 B8R0.4 CCOCSCCCF 62a_100000739092_100011934791 [1,0,0,0,0,0|2,0,1]=4 1176 B8R0.4 CCOCSCCCF 62a_100011934791_100000739092 [1,0,0,0,0,0|2,0,1]=4 1177 B8R0.4 CCOCSCCCO 62a_100000739092_100011215043 [1,0,0,0,0,0|2,0,1]=4 1178 B8R0.4 CCOCSCCCO 62a_100011215043_100000739092 [1,0,0,0,0,0|2,0,1]=4 1179 B8R0.4 CCOCSCCOC 62a_100000233755_100000739092 [1,0,0,0,0,0|2,0,1]=4 1180 B8R0.4 CCOCSCCOC 62a_100000739092_100000233755 [1,0,0,0,0,0|2,0,1]=4 1181 B8R0.4 CCOCSCCSC 62a_100000212216_100000739092 [1,0,0,0,0,0|2,0,1]=4 1182 B8R0.4 CCOCSCCSC 62a_100000739092_100000751147 [1,0,0,0,0,0|2,0,1]=4 1183 B8R0.4 CCOCSCOCC 62a_100000739092_100000739092 [1,0,0,0,0,0|2,0,1]=4 1184 B8R0.4 CCSCCCCCF 62a_100000210202_100000729378 [1,0,0,0,0,0|1,1,1]=4 1185 B8R0.4 CCSCCCCCF 62a_100000729378_100000210202 [1,0,0,0,0,0|1,1,1]=4 1186 B8R0.4 CCSCCCCCO 62a_100000210202_100000746330 [1,0,0,0,0,0|1,1,1]=4 1187 B8R0.4 CCSCCCCCO 62a_100000746330_100000210202 [1,0,0,0,0,0|1,1,1]=4 1188 B8R0.4 CCSCCCCOC 62a_100000210202_100000730899 [1,0,0,0,0,0|1,1,1]=4 1189 B8R0.4 CCSCCCCOC 62a_100000730899_100000210202 [1,0,0,0,0,0|1,1,1]=4 1190 B8R0.4 CCSCCCOCF 34a_100011216438_100015361967 [1,0,0,0,0,0|2,0,1]=4 1191 B8R0.4 CCSCCCOCF 7a_100011216438_100015361967 [1,0,0,0,0,0|2,0,1]=4 1192 B8R0.4 COCCCCOCF 34a_100000740925_100015361967 [1,0,0,0,0,0|2,0,1]=4 1193 B8R0.4 CSCCCCOCF 34a_100011217163_100015361967 [1,0,0,0,0,0|2,0,1]=4 1194 B8R0.4 CSCCCCOCF 7a_100011217163_100015361967 [1,0,0,0,0,0|2,0,1]=4 1195 B8R0.4 FCOCCCCCBr 34a_100000746331_100015361967 [1,0,0,0,0,0|2,0,1]=4 1196 B8R0.4 FCOCCCCCBr 7a_100000746331_100015361967 [1,0,0,0,0,0|2,0,1]=4 1197 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [1,0,0,0,0,0|2,0,1]=4 1198 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [1,0,0,0,0,0|2,0,1]=4 1199 B8R0.4 FCOCCCCCI 34a_200012148887_100015361967 [1,0,0,0,0,0|2,0,1]=4 1200 B8R0.4 FCOCCCCCI 7a_200012148887_100015361967 [1,0,0,0,0,0|2,0,1]=4 1201 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [1,0,0,0,0,0|2,0,1]=4 1202 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,0,0,0,0,0|0,0,2]=3 1203 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [1,0,0,0,0,0|1,0,2]=4 1204 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,0,0,0,0,0|1,0,2]=4 1205 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [1,0,0,0,0,0|1,0,2]=4 1206 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,0,0,0,0,0|1,0,2]=4 1207 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,0,0,0,0,0|1,0,2]=4 1208 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,0,0,0,0,0|0,0,2]=3 1209 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,0,0,0,0,0|0,0,2]=3 1210 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [1,0,0,0,0,0|1,0,2]=4 1211 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,0,0,0,0,0|1,0,2]=4 1212 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,0,0,0,0,0|1,0,2]=4 1213 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1214 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1215 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,0,0,0,0,0|1,0,2]=4 1216 B8R0.6 C#CCCNC(=O)CC 11a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1217 B8R0.6 C#CCCNC(=O)CC 1626a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1218 B8R0.6 C#CCCNC(=O)CC 240690a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1219 B8R0.6 C#CCCNC(=O)CC 527a_100000755551_100000210414 [1,0,0,0,0,0|1,0,2]=4 1220 B8R0.6 C#CCNCC(=O)OC 34a_100000212058_100000747449 [1,0,0,0,0,0|1,0,2]=4 1221 B8R0.6 C#CCOCC(=O)CC 1458a_100011251226_100000210202 [1,0,0,0,0,0|1,0,2]=4 1222 B8R0.6 C#CCOCC(=O)CC 34a_100000725409_100000184674 [1,0,0,0,0,0|1,0,2]=4 1223 B8R0.6 C#CCOCC(=O)OC 34a_100000210247_100000747449 [1,0,0,0,0,0|1,0,2]=4 1224 B8R0.6 C#CCSCC(=O)CC 62a_100000038162_100000747405 [1,0,0,0,0,0|1,0,2]=4 1225 B8R0.6 C#CCSCC(=O)OC 62a_100000038162_100000747449 [1,0,0,0,0,0|1,0,2]=4 1226 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,0,0,0,0,0|0,0,2]=3 1227 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,0,0,0,0,0|1,0,2]=4 1228 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,0,0,0,0,0|1,0,2]=4 1229 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,0,0,0,0,0|1,0,2]=4 1230 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,0,0,0,0,0|1,0,2]=4 1231 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,0,0,0,0,0|1,0,2]=4 1232 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,0,0,0,0,0|1,0,2]=4 1233 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,0,0,0,0,0|1,0,2]=4 1234 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,0,0,0,0,0|0,0,2]=3 1235 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,0,0,0,0,0|0,0,2]=3 1236 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [1,0,0,0,0,0|1,0,2]=4 1237 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,0,0,0,0,0|1,0,2]=4 1238 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,0,0,0,0,0|1,0,2]=4 1239 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1240 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1241 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,0,0,0,0,0|1,0,2]=4 1242 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1243 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1244 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1245 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [1,0,0,0,0,0|1,0,2]=4 1246 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [1,0,0,0,0,0|1,0,2]=4 1247 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [1,0,0,0,0,0|1,0,2]=4 1248 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [1,0,0,0,0,0|1,0,2]=4 1249 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [1,0,0,0,0,0|1,0,2]=4 1250 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [1,0,0,0,0,0|1,0,2]=4 1251 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [1,0,0,0,0,0|1,0,2]=4 1252 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [1,0,0,0,0,0|1,0,2]=4 1253 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [1,0,0,0,0,0|1,0,2]=4 1254 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [1,0,0,0,0,0|1,0,2]=4 1255 B8R0.6 CC#CCNC(=O)CC 11a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1256 B8R0.6 CC#CCNC(=O)CC 1626a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1257 B8R0.6 CC#CCNC(=O)CC 527a_100000685387_100000210414 [1,0,0,0,0,0|1,0,2]=4 1258 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,0,0,0,0,0|0,0,2]=3 1259 B8R0.6 CC/C=C/CC(=O)CF 1458a_100016274230_100015361967 [1,0,0,0,0,0|1,0,2]=4 1260 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,0,0,0,0,0|1,0,2]=4 1261 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1262 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1263 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,0,0,0,0,0|1,0,2]=4 1264 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,0,0,0,0,0|0,0,2]=3 1265 B8R0.6 CC/C=C\CC(=O)CO 1458a_100000210174_100103147603 [1,0,0,0,0,0|1,0,2]=4 1266 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,0,0,0,0,0|0,0,2]=3 1267 B8R0.6 CCC#CCC(=O)CO 1458a_100000210174_100009813939 [1,0,0,0,0,0|1,0,2]=4 1268 B8R0.6 CCC(=O)C=CCOC 1458a_100016285016_100000210202 [1,0,0,0,0,0|1,0,2]=4 1269 B8R0.6 CCC(=O)CC#CCO 1458a_100000210414_200000047223 [1,0,0,0,0,0|1,0,2]=4 1270 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,0,0,0,0,0|1,0,1]=3 1271 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,0,0,0,0,0|1,0,1]=3 1272 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,0,0,0,0,0|1,0,0]=2 1273 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,0,0,0,0,0|1,0,0]=2 1274 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,0,0,0,0,0|1,0,0]=2 1275 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,0,0,0,0,0|1,0,0]=2 1276 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,0,0,0,0,0|1,0,0]=2 1277 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,0,0,0,0,0|1,0,0]=2 1278 B8R0.6 CCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210202 [1,0,0,0,0,0|3,0,0]=4 1279 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [1,0,0,0,0,0|2,0,1]=4 1280 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,0,0,0,0,0|2,0,0]=3 1281 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,0,0,0,0,0|2,0,0]=3 1282 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,0,0,0,0,0|2,0,0]=3 1283 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,0,0,0,0,0|2,0,0]=3 1284 B8R0.6 CCC(=O)CSCC#N 1458a_100000150266_100000210202 [1,0,0,0,0,0|2,0,1]=4 1285 B8R0.6 CCC(=O)CSCC#N 62a_100000747405_100011215382 [1,0,0,0,0,0|2,0,1]=4 1286 B8R0.6 CCC(=O)CSCC#N 62a_100011215382_100000747405 [1,0,0,0,0,0|2,0,1]=4 1287 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [1,0,0,0,0,0|2,0,1]=4 1288 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [1,0,0,0,0,0|2,0,1]=4 1289 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,0,0,0,0,0|2,0,0]=3 1290 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,0,0,0,0,0|2,0,0]=3 1291 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,0,0,0,0,0|2,0,0]=3 1292 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,0,0,0,0,0|2,0,0]=3 1293 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,0,0,0,0,0|2,0,0]=3 1294 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,0,0,0,0,0|2,0,0]=3 1295 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,0,0,0,0,0|2,0,0]=3 1296 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,0,0,0,0,0|2,0,0]=3 1297 B8R0.6 CCC(=O)NCCC#N 11a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1298 B8R0.6 CCC(=O)NCCC#N 1626a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1299 B8R0.6 CCC(=O)NCCC#N 240690a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1300 B8R0.6 CCC(=O)NCCC#N 527a_100000720768_100000210414 [1,0,0,0,0,0|2,0,1]=4 1301 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1302 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1303 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1304 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,0,0,0,0,0|2,0,0]=3 1305 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 1306 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,0,0,0,0,0|2,0,0]=3 1307 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,0,0,0,0,0|2,0,0]=3 1308 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,0,0,0,0,0|2,0,0]=3 1309 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1310 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1311 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 1312 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,0,0,0,0,0|2,0,0]=3 1313 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,0,0,0,0,0|2,0,0]=3 1314 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 1315 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,0,0,0,0,0|2,0,0]=3 1316 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1317 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1318 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1319 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,0,0,0,0,0|2,0,0]=3 1320 B8R0.6 CCC(=O)NNCCO 22a_100000210001_100000210414 [1,0,0,0,0,0|3,0,0]=4 1321 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,0,0,0,0,0|2,0,0]=3 1322 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,0,0,0,0,0|2,0,0]=3 1323 B8R0.6 CCC(C)CCCOC 7a_100011216074_200000210301 [1,0,0,0,0,0|2,0,1]=4 1324 B8R0.6 CCC(C)CCCO[13CH3] 7a_100011216074_200025704644 [1,0,0,0,0,0|2,0,1]=4 1325 B8R0.6 CCC=NNC(=O)CC 4a_100000183195_100000210100 [1,0,0,0,0,0|2,0,1]=4 1326 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,0,0,0,0,0|0,0,2]=3 1327 B8R0.6 CCCC#CC(=O)CF 1458a_200011218047_100015361967 [1,0,0,0,0,0|1,0,2]=4 1328 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,0,0,0,0,0|1,0,2]=4 1329 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,0,0,0,0,0|0,0,2]=3 1330 B8R0.6 CCCC=CC(=O)CF 1458a_100000212230_100015361967 [1,0,0,0,0,0|1,0,2]=4 1331 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,0,0,0,0,0|1,0,2]=4 1332 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 1333 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,0,0,0,0,0|1,0,2]=4 1334 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,0,0,0,0,0|0,0,0]=1 1335 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,0,0,0,0,0|0,0,0]=1 1336 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,0,0,0,0,0|1,0,0]=2 1337 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,0,0,0,0,0|1,0,0]=2 1338 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,0,0,0,0,0|1,0,0]=2 1339 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1340 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1341 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,0,0,0,0,0|1,0,0]=2 1342 B8R0.6 CCCCCC(C)NC 2230a_100000211957_200000210301 [1,0,0,0,0,0|2,0,1]=4 1343 B8R0.6 CCCCCC(C)NC 2230a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 1344 B8R0.6 CCCCCC(C)NC 270004a_106832991635_100000211708 [1,0,0,0,0,0|2,0,1]=4 1345 B8R0.6 CCCCCC(C)NC 34a_100102657272_200011218191 [1,0,0,0,0,0|2,0,1]=4 1346 B8R0.6 CCCCCC(C)NC 7a_106832991635_200011218191 [1,0,0,0,0,0|2,0,1]=4 1347 B8R0.6 CCCCCC(C)N[13CH3] 2230a_100000211957_200025704644 [1,0,0,0,0,0|2,0,1]=4 1348 B8R0.6 CCCCCC(C)OC 34a_100011215632_200000210301 [1,0,0,0,0,0|1,0,1]=3 1349 B8R0.6 CCCCCC(C)OC 34a_100138415774_200011218191 [1,0,0,0,0,0|1,0,1]=3 1350 B8R0.6 CCCCCC(C)OC 7a_100011215632_200000210301 [1,0,0,0,0,0|1,0,1]=3 1351 B8R0.6 CCCCCC(C)O[13CH3] 34a_100011215632_200025704644 [1,0,0,0,0,0|1,0,1]=3 1352 B8R0.6 CCCCCC(C)O[13CH3] 7a_100011215632_200025704644 [1,0,0,0,0,0|1,0,1]=3 1353 B8R0.6 CCCCCC(C)SC 62a_200000210301_200011218191 [1,0,0,0,0,0|1,1,1]=4 1354 B8R0.6 CCCCCC(C)SC 62a_200011218191_200000210301 [1,0,0,0,0,0|1,1,1]=4 1355 B8R0.6 CCCCCC(C)S[13CH3] 62a_200011218191_200025704644 [1,0,0,0,0,0|1,1,1]=4 1356 B8R0.6 CCCCCC(C)S[13CH3] 62a_200025704644_200011218191 [1,0,0,0,0,0|1,1,1]=4 1357 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [1,0,0,0,0,0|2,0,0]=3 1358 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [1,0,0,0,0,0|2,0,0]=3 1359 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [1,0,0,0,0,0|2,0,0]=3 1360 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [1,0,0,0,0,0|2,0,0]=3 1361 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [1,0,0,0,0,0|3,0,0]=4 1362 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1363 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1364 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1365 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,0,0,0,0,0|1,0,0]=2 1366 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 1367 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,0,0,0,0,0|2,0,0]=3 1368 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,0,0,0,0,0|2,0,0]=3 1369 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 1370 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 1371 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,0,0,0,0,0|2,0,0]=3 1372 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,0,0,0,0,0|2,0,0]=3 1373 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,0,0,0,0,0|2,0,0]=3 1374 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [1,0,0,0,0,0|2,0,1]=4 1375 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [1,0,0,0,0,0|2,0,1]=4 1376 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [1,0,0,0,0,0|2,0,1]=4 1377 B8R0.6 CCCCOC(C)CC 34a_100000210227_100011215416 [1,0,0,0,0,0|2,0,1]=4 1378 B8R0.6 CCCCOC(C)CC 7a_100000210227_100000758301 [1,0,0,0,0,0|2,0,1]=4 1379 B8R0.6 CCCCOC(C)CC 7a_100000210228_100000210211 [1,0,0,0,0,0|2,0,1]=4 1380 B8R0.6 CCCCSC(C)CC 62a_100000210211_100000758301 [1,0,0,0,0,0|2,0,1]=4 1381 B8R0.6 CCCCSC(C)CC 62a_100000758301_100000210210 [1,0,0,0,0,0|2,0,1]=4 1382 B8R0.6 CCCCSC(C)OC 62a_100000210211_100009879195 [1,0,0,0,0,0|2,0,1]=4 1383 B8R0.6 CCCCSC(C)OC 62a_100009879195_100000210210 [1,0,0,0,0,0|2,0,1]=4 1384 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,0,0,0,0,0|2,0,0]=3 1385 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [1,0,0,0,0,0|2,0,1]=4 1386 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [1,0,0,0,0,0|2,0,1]=4 1387 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [1,0,0,0,0,0|1,0,2]=4 1388 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [1,0,0,0,0,0|2,0,1]=4 1389 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,0,0,0,0,0|2,0,0]=3 1390 B8R0.6 CCCNNC(=O)CO 22a_100000740057_100000210174 [1,0,0,0,0,0|3,0,0]=4 1391 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,0,0,0,0,0|3,0,0]=4 1392 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,0,0,0,0,0|3,0,0]=4 1393 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,0,0,0,0,0|3,0,0]=4 1394 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,0,0,0,0,0|1,0,0]=2 1395 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,0,0,0,0,0|1,0,0]=2 1396 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,0,0,0,0,0|2,0,0]=3 1397 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,0,0,0,0,0|2,0,0]=3 1398 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1399 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1400 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,0,0,0,0,0|2,0,0]=3 1401 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,0,0,0,0,0|2,0,0]=3 1402 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,0,0,0,0,0|2,0,0]=3 1403 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,0,0,0,0,0|1,0,0]=2 1404 B8R0.6 CCCOCC(C)CC 34a_100000210258_100000748023 [1,0,0,0,0,0|2,0,1]=4 1405 B8R0.6 CCCOCC(C)OC 34a_100000690652_100000210303 [1,0,0,0,0,0|2,0,1]=4 1406 B8R0.6 CCCOCC(O)CC 34a_100000210258_100011218378 [1,0,0,0,0,0|1,0,2]=4 1407 B8R0.6 CCCOC[C@@H](C)CC 34a_100000210258_100009816398 [1,0,0,0,0,0|2,0,1]=4 1408 B8R0.6 CCCOC[C@@H](C)CC 7a_100009816381_100000210303 [1,0,0,0,0,0|2,0,1]=4 1409 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,0,0,0,0,0|1,0,0]=2 1410 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,0,0,0,0,0|1,0,0]=2 1411 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,0,0,0,0,0|1,0,0]=2 1412 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,0,0,0,0,0|2,0,0]=3 1413 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,0,0,0,0,0|2,0,0]=3 1414 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1415 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1416 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,0,0,0,0,0|2,0,0]=3 1417 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,0,0,0,0,0|2,0,0]=3 1418 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,0,0,0,0,0|2,0,0]=3 1419 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,0,0,0,0,0|1,0,0]=2 1420 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,0,0,0,0,0|1,0,0]=2 1421 B8R0.6 CCCSCC(C)CC 62a_100000210303_100000748023 [1,0,0,0,0,0|2,0,1]=4 1422 B8R0.6 CCCSCC(C)CC 62a_100000748023_100000210303 [1,0,0,0,0,0|2,0,1]=4 1423 B8R0.6 CCCSCC(O)CC 62a_100000210303_100011218378 [1,0,0,0,0,0|1,0,2]=4 1424 B8R0.6 CCCSCC(O)CC 62a_100011218378_100000210303 [1,0,0,0,0,0|1,0,2]=4 1425 B8R0.6 CCCSC[C@@H](C)CC 62a_100000210303_100009816398 [1,0,0,0,0,0|2,0,1]=4 1426 B8R0.6 CCCSC[C@@H](C)CC 62a_100009816398_100000210303 [1,0,0,0,0,0|2,0,1]=4 1427 B8R0.6 CCN(C)CCCCF 2230a_100000225621_100000729493 [1,0,0,0,0,0|3,0,0]=4 1428 B8R0.6 CCN(C)CCCCF 269982a_100000225621_100000729493 [1,0,0,0,0,0|3,0,0]=4 1429 B8R0.6 CCN(C)CCCCO 2230a_100000225621_100000210776 [1,0,0,0,0,0|3,0,0]=4 1430 B8R0.6 CCN(C)CCCCO 2230a_100000717598_100000210202 [1,0,0,0,0,0|3,0,0]=4 1431 B8R0.6 CCN(C)CCCCO 2230a_100011217355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1432 B8R0.6 CCN(C)CCCCO 269982a_100000225621_100000210776 [1,0,0,0,0,0|3,0,0]=4 1433 B8R0.6 CCN(C)CCCCO 269982a_100000717598_100000204670 [1,0,0,0,0,0|3,0,0]=4 1434 B8R0.6 CCN(C)CCCCO 269982a_100011217355_200000210301 [1,0,0,0,0,0|3,0,0]=4 1435 B8R0.6 CCN(C)CCCNC 2230a_106832991635_100015186262 [1,0,0,0,0,0|3,0,0]=4 1436 B8R0.6 CCN(C)CCCNC 7a_106832991635_100015186262 [1,0,0,0,0,0|3,0,0]=4 1437 B8R0.6 CCN(C)CCCOC 2230a_100000224831_100000210202 [1,0,0,0,0,0|3,0,0]=4 1438 B8R0.6 CCN(C)CCCOC 2230a_100000225621_100000740836 [1,0,0,0,0,0|3,0,0]=4 1439 B8R0.6 CCN(C)CCCOC 269982a_100000224831_100000204670 [1,0,0,0,0,0|3,0,0]=4 1440 B8R0.6 CCN(C)CCCOC 269982a_100000225621_100000740836 [1,0,0,0,0,0|3,0,0]=4 1441 B8R0.6 CCN(C)CCCSC 62a_200000210301_100015186262 [1,0,0,0,0,0|3,0,0]=4 1442 B8R0.6 CCN(C)CCCS[13CH3] 62a_200025704644_100015186262 [1,0,0,0,0,0|3,0,0]=4 1443 B8R0.6 CCN([13CH3])CCCCO 2230a_100011217355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1444 B8R0.6 CCN([13CH3])CCCCO 269982a_100011217355_200025704644 [1,0,0,0,0,0|3,0,0]=4 1445 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,0,0,0,0,0|2,0,0]=3 1446 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,0,0,0,0,0|2,0,0]=3 1447 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,0,0,0,0,0|2,0,0]=3 1448 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,0,0,0,0,0|1,0,0]=2 1449 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [1,0,0,0,0,0|2,0,1]=4 1450 B8R0.6 CCNN=CC(=O)OC 4a_100000756455_200011823558 [1,0,0,0,0,0|2,0,1]=4 1451 B8R0.6 CCOC=CC(=O)CC 1458a_100016266692_100000210202 [1,0,0,0,0,0|1,0,2]=4 1452 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,0,0,0,0,0|1,0,0]=2 1453 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,0,0,0,0,0|1,0,0]=2 1454 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,0,0,0,0,0|2,0,0]=3 1455 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,0,0,0,0,0|2,0,0]=3 1456 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,0,0,0,0,0|2,0,0]=3 1457 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1458 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1459 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,0,0,0,0,0|2,0,0]=3 1460 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,0,0,0,0,0|2,0,0]=3 1461 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,0,0,0,0,0|2,0,0]=3 1462 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,0,0,0,0,0|1,0,0]=2 1463 B8R0.6 CCOCCC(C)CC 7a_100011215188_100000210202 [1,0,0,0,0,0|2,0,1]=4 1464 B8R0.6 CCOCCC(C)OC 7a_100000764861_100000210202 [1,0,0,0,0,0|2,0,1]=4 1465 B8R0.6 CCOCCN(C)CC 2230a_100000225621_100011215890 [1,0,0,0,0,0|3,0,0]=4 1466 B8R0.6 CCOCCN(C)CC 269982a_100000225621_100011215890 [1,0,0,0,0,0|3,0,0]=4 1467 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,0,0,0,0,0|1,0,0]=2 1468 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,0,0,0,0,0|1,0,0]=2 1469 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,0,0,0,0,0|2,0,0]=3 1470 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,0,0,0,0,0|2,0,0]=3 1471 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,0,0,0,0,0|2,0,0]=3 1472 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1473 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1474 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,0,0,0,0,0|2,0,0]=3 1475 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,0,0,0,0,0|2,0,0]=3 1476 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,0,0,0,0,0|2,0,0]=3 1477 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,0,0,0,0,0|1,0,0]=2 1478 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,0,0,0,0,0|1,0,0]=2 1479 B8R0.6 CCSCCN(C)CC 2230a_100000225621_100000757381 [1,0,0,0,0,0|3,0,0]=4 1480 B8R0.6 CCSCCN(C)CC 269982a_100000225621_100000757381 [1,0,0,0,0,0|3,0,0]=4 1481 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,0,0,0,0,0|2,0,0]=3 1482 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,0,0,0,0,0|2,0,1]=4 1483 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1484 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1485 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,0,0,0,0,0|2,0,1]=4 1486 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,0,0,0,0,0|2,0,0]=3 1487 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,0,0,0,0,0|2,0,0]=3 1488 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,0,0,0,0,0|2,0,0]=3 1489 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,0,0,0,0,0|2,0,0]=3 1490 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1491 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1492 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,0,0,0,0,0|2,0,0]=3 1493 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,0,0,0,0,0|2,0,0]=3 1494 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,0,0,0,0,0|2,0,0]=3 1495 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1496 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1497 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,0,0,0,0,0|2,0,0]=3 1498 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,0,0,0,0,0|2,0,0]=3 1499 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,0,0,0,0,0|2,0,0]=3 1500 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,0,0,0,0,0|2,0,0]=3 1501 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,0,0,0,0,0|2,0,0]=3 1502 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [1,0,0,0,0,0|3,0,0]=4 1503 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,0,0,0,0,0|3,0,0]=4 1504 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,0,0,0,0,0|3,0,0]=4 1505 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,0,0,0,0,0|3,0,0]=4 1506 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [1,0,0,0,0,0|3,0,0]=4 1507 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [1,0,0,0,0,0|3,0,0]=4 1508 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,0,0,0,0,0|3,0,0]=4 1509 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,0,0,0,0,0|3,0,0]=4 1510 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,0,0,0,0,0|3,0,0]=4 1511 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [1,0,0,0,0,0|3,0,0]=4 1512 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,0,0,0,0,0|3,0,0]=4 1513 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [1,0,0,0,0,0|3,0,0]=4 1514 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [1,0,0,0,0,0|3,0,0]=4 1515 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [1,0,0,0,0,0|3,0,0]=4 1516 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,0,0,0,0,0|3,0,0]=4 1517 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,0,0,0,0,0|3,0,0]=4 1518 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,0,0,0,0,0|3,0,0]=4 1519 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,0,0,0,0,0|3,0,0]=4 1520 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [1,0,0,0,0,0|3,0,0]=4 1521 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [1,0,0,0,0,0|3,0,0]=4 1522 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,0,0,0,0,0|3,0,0]=4 1523 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,0,0,0,0,0|3,0,0]=4 1524 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [1,0,0,0,0,0|3,0,0]=4 1525 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [1,0,0,0,0,0|3,0,0]=4 1526 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,0,0,0,0,0|3,0,0]=4 1527 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,0,0,0,0,0|3,0,0]=4 1528 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,0,0,0,0,0|3,0,0]=4 1529 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 1530 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 1531 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,0,0,0,0,0|3,0,0]=4 1532 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,0,0,0,0,0|3,0,0]=4 1533 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,0,0,0,0,0|3,0,0]=4 1534 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 1535 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,0,0,0,0,0|3,0,0]=4 1536 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,0,0,0,0,0|3,0,0]=4 1537 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,0,0,0,0,0|3,0,0]=4 1538 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,0,0,0,0,0|3,0,0]=4 1539 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 1540 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,0,0,0,0,0|3,0,0]=4 1541 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,0,0,0,0,0|3,0,0]=4 1542 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,0,0,0,0,0|3,0,0]=4 1543 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 1544 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 1545 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,0,0,0,0,0|3,0,0]=4 1546 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,0,0,0,0,0|3,0,0]=4 1547 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,0,0,0,0,0|3,0,0]=4 1548 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,0,0,0,0,0|3,0,0]=4 1549 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,0,0,0,0,0|3,0,0]=4 1550 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,0,0,0,0,0|3,0,0]=4 1551 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,0,0,0,0,0|3,0,0]=4 1552 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,0,0,0,0,0|3,0,0]=4 1553 B8R0.6 CNC/C=C/C(=O)OC 2230a_106832991635_100000742655 [1,0,0,0,0,0|1,0,2]=4 1554 B8R0.6 CNC/C=C/C(=O)OC 34a_100102657272_100000742655 [1,0,0,0,0,0|1,0,2]=4 1555 B8R0.6 CNC/C=C/C(=O)OC 7a_106832991635_100000742655 [1,0,0,0,0,0|1,0,2]=4 1556 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,0,0,0,0,0|2,0,0]=3 1557 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,0,0,0,0,0|2,0,0]=3 1558 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,0,0,0,0,0|2,0,0]=3 1559 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,0,0,0,0,0|2,0,0]=3 1560 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,0,0,0,0,0|2,0,0]=3 1561 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,0,0,0,0,0|1,0,0]=2 1562 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,0,0,0,0,0|1,0,0]=2 1563 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,0,0,0,0,0|1,0,0]=2 1564 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,0,0,0,0,0|3,0,0]=4 1565 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,0,0,0,0,0|3,0,0]=4 1566 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,0,0,0,0,0|3,0,0]=4 1567 B8R0.6 COC(=O)/C=C/CSC 62a_100000742655_200000210301 [1,0,0,0,0,0|1,0,2]=4 1568 B8R0.6 COC(=O)/C=C/CSC 62a_200000210301_100000742655 [1,0,0,0,0,0|1,0,2]=4 1569 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_100000742655_200025704644 [1,0,0,0,0,0|1,0,2]=4 1570 B8R0.6 COC(=O)/C=C/CS[13CH3] 62a_200025704644_100000742655 [1,0,0,0,0,0|1,0,2]=4 1571 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,0,0,0,0,0|1,0,0]=2 1572 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,0,0,0,0,0|1,0,0]=2 1573 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,0,0,0,0,0|1,0,0]=2 1574 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,0,0,0,0,0|1,0,0]=2 1575 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,0,0,0,0,0|2,0,0]=3 1576 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,0,0,0,0,0|2,0,0]=3 1577 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,0,0,0,0,0|2,0,0]=3 1578 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,0,0,0,0,0|2,0,0]=3 1579 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,0,0,0,0,0|2,0,0]=3 1580 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,0,0,0,0,0|2,0,0]=3 1581 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,0,0,0,0,0|2,0,0]=3 1582 B8R0.6 COC(=O)CSCC#N 62a_100000747449_100011215382 [1,0,0,0,0,0|2,0,1]=4 1583 B8R0.6 COC(=O)CSCC#N 62a_100011215382_100000747449 [1,0,0,0,0,0|2,0,1]=4 1584 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [1,0,0,0,0,0|2,0,1]=4 1585 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [1,0,0,0,0,0|2,0,1]=4 1586 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,0,0,0,0,0|2,0,0]=3 1587 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,0,0,0,0,0|2,0,0]=3 1588 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,0,0,0,0,0|2,0,0]=3 1589 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,0,0,0,0,0|2,0,0]=3 1590 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,0,0,0,0,0|2,0,0]=3 1591 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,0,0,0,0,0|2,0,0]=3 1592 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,0,0,0,0,0|2,0,0]=3 1593 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,0,0,0,0,0|2,0,0]=3 1594 B8R0.6 COC(=O)OCSCF 62a_100015361967_100000139417 [1,0,0,0,0,0|3,0,0]=4 1595 B8R0.6 COC/C=C/C(=O)OC 34a_100138415774_100000742655 [1,0,0,0,0,0|1,0,2]=4 1596 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,0,0,0,0,0|2,0,0]=3 1597 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,0,0,0,0,0|2,0,0]=3 1598 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,0,0,0,0,0|3,0,0]=4 1599 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,0,0,0,0,0|1,0,0]=2 1600 B8R0.6 COCCCC(C)OC 34a_200011539412_200000210301 [1,0,0,0,0,0|2,0,1]=4 1601 B8R0.6 COCCCC(C)OC 7a_200011539412_200000210301 [1,0,0,0,0,0|2,0,1]=4 1602 B8R0.6 COCCCC(C)O[13CH3] 34a_200011539412_200025704644 [1,0,0,0,0,0|2,0,1]=4 1603 B8R0.6 COCCCC(C)O[13CH3] 7a_200011539412_200025704644 [1,0,0,0,0,0|2,0,1]=4 1604 B8R0.6 COCCNC(=O)CO 240690a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 1605 B8R0.6 COCCNC(=O)CO 527a_100000209980_100000210174 [1,0,0,0,0,0|3,0,0]=4 1606 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,0,0,0,0,0|2,0,0]=3 1607 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,0,0,0,0,0|2,0,0]=3 1608 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,0,0,0,0,0|2,0,0]=3 1609 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,0,0,0,0,0|2,0,0]=3 1610 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,0,0,0,0,0|2,0,0]=3 1611 B8R0.6 CSCCNC(=O)CO 240690a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 1612 B8R0.6 CSCCNC(=O)CO 527a_100020590264_100000210174 [1,0,0,0,0,0|3,0,0]=4 1613 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [1,0,0,0,0,0|2,0,1]=4 1614 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,0,0,0,0,0|2,0,1]=4 1615 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,0,0,0,0,0|2,0,0]=3 1616 B8R0.6 O=C(CF)COCCO 1458a_100000708028_100015361967 [1,0,0,0,0,0|3,0,0]=4 1617 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,0,0,0,0,0|2,0,0]=3 1618 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,0,0,0,0,0|2,0,0]=3 1619 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 1620 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,0,0,0,0,0|3,0,0]=4 1621 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 1622 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,0,0,0,0,0|3,0,0]=4 1623 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,0,0,0,0,0|3,0,0]=4 1624 B10R0.1 C#CCC(=O)CCCCCC 1458a_100011220946_100000210757 [0,1,0,0,0,0|1,0,2]=4 1625 B10R0.1 C#CCC(=O)CCCCCC 1458a_100102632555_100000184674 [0,1,0,0,0,0|1,0,2]=4 1626 B10R0.1 C#CCC(=O)CCCCCF 1458a_100011220946_100000729378 [0,1,0,0,0,0|1,0,2]=4 1627 B10R0.1 C#CCC(=O)CCCCCO 1458a_100011220946_100000746330 [0,1,0,0,0,0|1,0,2]=4 1628 B10R0.1 C#CCC(=O)CCCCCO 1458a_100102619762_100000184674 [0,1,0,0,0,0|1,0,2]=4 1629 B10R0.1 C#CCC(=O)CCCCOC 1458a_100011220946_100000755781 [0,1,0,0,0,0|1,0,2]=4 1630 B10R0.1 C#CCC(=O)CCCOCC 1458a_100011220946_100012232248 [0,1,0,0,0,0|1,0,2]=4 1631 B10R0.1 C#CCC(=O)CCOCCC 1458a_100011220946_100011215938 [0,1,0,0,0,0|1,0,2]=4 1632 B10R0.1 C#CCC(=O)COCCCC 1458a_100000757543_100000184674 [0,1,0,0,0,0|1,0,2]=4 1633 B10R0.1 C#CCC(=O)COCCCC 1458a_100011220946_100011995733 [0,1,0,0,0,0|1,0,2]=4 1634 B10R0.1 C#CCC(=O)CSCCCC 1458a_100000191162_100000184674 [0,1,0,0,0,0|1,0,2]=4 1635 B10R0.1 C#CCC(=O)NCCCCC 1626a_100000209983_100011220946 [0,1,0,0,0,0|1,0,2]=4 1636 B10R0.1 C#CCC(=O)NCCCCC 527a_100000209983_100011220946 [0,1,0,0,0,0|1,0,2]=4 1637 B10R0.1 C#CCCCCC(=O)C#CC 1458a_100000763181_100010269958 [0,1,0,0,0,0|1,0,2]=4 1638 B10R0.1 C#CCCCCC(=O)C=CC 1458a_100000210699_100010269958 [0,1,0,0,0,0|1,0,2]=4 1639 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000211992_100010269958 [0,1,0,0,0,0|1,0,1]=3 1640 B10R0.1 C#CCCCCC(=O)CCC 1458a_100000696528_100000210303 [0,1,0,0,0,0|1,0,1]=3 1641 B10R0.1 C#CCCCCC(=O)CCF 1458a_100000696528_100011217306 [0,1,0,0,0,0|2,0,1]=4 1642 B10R0.1 C#CCCCCC(=O)CCO 1458a_100000696528_100000211926 [0,1,0,0,0,0|2,0,1]=4 1643 B10R0.1 C#CCCCCC(=O)CCO 1458a_100011216618_100010269958 [0,1,0,0,0,0|2,0,1]=4 1644 B10R0.1 C#CCCCCC(=O)COC 1458a_100000210968_100010269958 [0,1,0,0,0,0|2,0,1]=4 1645 B10R0.1 C#CCCCCC(=O)CSC 1458a_100000184570_100010269958 [0,1,0,0,0,0|2,0,1]=4 1646 B10R0.1 C#CCCCCC(=O)NCC 11a_100015525214_100000696528 [0,1,0,0,0,0|1,0,1]=3 1647 B10R0.1 C#CCCCCC(=O)NCC 240690a_100015525214_100000696528 [0,1,0,0,0,0|1,0,1]=3 1648 B10R0.1 C#CCCCCC(=O)NCC 527a_100015525214_100000696528 [0,1,0,0,0,0|1,0,1]=3 1649 B10R0.1 C#CCCCCC(=O)NNC 22a_100016993582_100000696528 [0,1,0,0,0,0|2,0,1]=4 1650 B10R0.1 C#CCCCNC(=O)CCC 11a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1651 B10R0.1 C#CCCCNC(=O)CCC 1626a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1652 B10R0.1 C#CCCCNC(=O)CCC 240690a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1653 B10R0.1 C#CCCCNC(=O)CCC 527a_100000718082_100000211992 [0,1,0,0,0,0|1,0,2]=4 1654 B10R0.1 C#CCCCNC(=O)NCC 2708a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1655 B10R0.1 C#CCCCNC(=O)NCC 2708a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1656 B10R0.1 C#CCCCNC(=O)NCC 273464a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1657 B10R0.1 C#CCCCNC(=O)NCC 273464a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1658 B10R0.1 C#CCCCNC(=O)NCC 512a_100000718082_100015525214 [0,1,0,0,0,0|1,0,2]=4 1659 B10R0.1 C#CCCCNC(=O)NCC 512a_100015525214_100000718082 [0,1,0,0,0,0|1,0,2]=4 1660 B10R0.1 C#CCCNCC(=O)NCC 2230a_100016988866_100000688953 [0,1,0,0,0,0|1,0,2]=4 1661 B10R0.1 C#CCCNCC(=O)NCC 34a_100000755551_100000183381 [0,1,0,0,0,0|1,0,2]=4 1662 B10R0.1 C#CCCNCC(=O)OCC 34a_100000755551_100000188475 [0,1,0,0,0,0|0,0,2]=3 1663 B10R0.1 C#CCCOCC(=O)NCC 34a_100011215631_100000183381 [0,1,0,0,0,0|1,0,2]=4 1664 B10R0.1 C#CCCOCC(=O)OCC 34a_100011215631_100000188475 [0,1,0,0,0,0|0,0,2]=3 1665 B10R0.1 C#CCCSCC(=O)CCC 62a_100000688953_100000747444 [0,1,0,0,0,0|1,0,2]=4 1666 B10R0.1 C#CCCSCC(=O)CCC 62a_100000747444_100000688953 [0,1,0,0,0,0|1,0,2]=4 1667 B10R0.1 C#CCCSCC(=O)NCC 62a_100000183381_100000688953 [0,1,0,0,0,0|1,0,2]=4 1668 B10R0.1 C#CCCSCC(=O)NCC 62a_100000688953_100000183381 [0,1,0,0,0,0|1,0,2]=4 1669 B10R0.1 C#CCCSCC(=O)OCC 62a_100000188475_100000688953 [0,1,0,0,0,0|0,0,2]=3 1670 B10R0.1 C#CCCSCC(=O)OCC 62a_100000688953_100000188475 [0,1,0,0,0,0|0,0,2]=3 1671 B10R0.1 C#CCNCCC(=O)NCC 34a_100025743525_100000184674 [0,1,0,0,0,0|1,0,2]=4 1672 B10R0.1 C#CCNCCC(=O)OCC 34a_100000212058_100000765890 [0,1,0,0,0,0|0,0,2]=3 1673 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000211992_100010402529 [0,1,0,0,0,0|1,0,2]=4 1674 B10R0.1 C#CCOCCC(=O)CCC 1458a_100000693358_100000210303 [0,1,0,0,0,0|1,0,2]=4 1675 B10R0.1 C#CCOCCC(=O)NCC 11a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1676 B10R0.1 C#CCOCCC(=O)NCC 240690a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1677 B10R0.1 C#CCOCCC(=O)NCC 527a_100015525214_100000693358 [0,1,0,0,0,0|1,0,2]=4 1678 B10R0.1 C#CCOCCC(=O)OCC 34a_100000210247_100000765890 [0,1,0,0,0,0|0,0,2]=3 1679 B10R0.1 C#CCSCCC(=O)NCC 62a_100000038162_100000737597 [0,1,0,0,0,0|1,0,2]=4 1680 B10R0.1 C#CCSCCC(=O)OCC 62a_100000038162_100000765890 [0,1,0,0,0,0|0,0,2]=3 1681 B10R0.1 C#CCSCOC(=O)OCC 62a_100000038162_100000075025 [0,1,0,0,0,0|1,0,2]=4 1682 B10R0.1 C/C=C/COCC(=O)NCC 34a_100016270725_100000183381 [0,1,0,0,0,0|1,0,2]=4 1683 B10R0.1 C/C=C/COCC(=O)OCC 34a_100016270725_100000188475 [0,1,0,0,0,0|0,0,2]=3 1684 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100000747444_100102629194 [0,1,0,0,0,0|1,0,2]=4 1685 B10R0.1 C/C=C/CSCC(=O)CCC 62a_100102629194_100000747444 [0,1,0,0,0,0|1,0,2]=4 1686 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100000183381_100102629194 [0,1,0,0,0,0|1,0,2]=4 1687 B10R0.1 C/C=C/CSCC(=O)NCC 62a_100102629194_100000183381 [0,1,0,0,0,0|1,0,2]=4 1688 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100000188475_100102629194 [0,1,0,0,0,0|0,0,2]=3 1689 B10R0.1 C/C=C/CSCC(=O)OCC 62a_100102629194_100000188475 [0,1,0,0,0,0|0,0,2]=3 1690 B10R0.1 C=CCC(=O)CCCCCC 1458a_100000210193_100000210757 [0,1,0,0,0,0|1,0,2]=4 1691 B10R0.1 C=CCC(=O)CCCCCC 1458a_100102632555_100000210623 [0,1,0,0,0,0|1,0,2]=4 1692 B10R0.1 C=CCC(=O)CCCCCF 1458a_100000210193_100000729378 [0,1,0,0,0,0|1,0,2]=4 1693 B10R0.1 C=CCC(=O)CCCCCO 1458a_100000210193_100000746330 [0,1,0,0,0,0|1,0,2]=4 1694 B10R0.1 C=CCC(=O)CCCCCO 1458a_100102619762_100000210623 [0,1,0,0,0,0|1,0,2]=4 1695 B10R0.1 C=CCC(=O)CCCCOC 1458a_100000210193_100000755781 [0,1,0,0,0,0|1,0,2]=4 1696 B10R0.1 C=CCC(=O)CCCOCC 1458a_100000210193_100012232248 [0,1,0,0,0,0|1,0,2]=4 1697 B10R0.1 C=CCC(=O)CCOCCC 1458a_100000210193_100011215938 [0,1,0,0,0,0|1,0,2]=4 1698 B10R0.1 C=CCC(=O)COCCCC 1458a_100000210193_100011995733 [0,1,0,0,0,0|1,0,2]=4 1699 B10R0.1 C=CCC(=O)COCCCC 1458a_100000757543_100000210623 [0,1,0,0,0,0|1,0,2]=4 1700 B10R0.1 C=CCC(=O)CSCCCC 1458a_100000191162_100000210623 [0,1,0,0,0,0|1,0,2]=4 1701 B10R0.1 C=CCC(=O)NCCCCC 11a_100000209983_100000210193 [0,1,0,0,0,0|1,0,2]=4 1702 B10R0.1 C=CCC(=O)NCCCCC 1626a_100000209983_100000210193 [0,1,0,0,0,0|1,0,2]=4 1703 B10R0.1 C=CCC(=O)NCCCCC 240690a_100000209983_100000210193 [0,1,0,0,0,0|1,0,2]=4 1704 B10R0.1 C=CCC(=O)NCCCCC 527a_100000209983_100000210193 [0,1,0,0,0,0|1,0,2]=4 1705 B10R0.1 C=CCCCCC(=O)C#CC 1458a_100000763181_100011215482 [0,1,0,0,0,0|1,0,2]=4 1706 B10R0.1 C=CCCCCC(=O)C=CC 1458a_100000210699_100011215482 [0,1,0,0,0,0|1,0,2]=4 1707 B10R0.1 C=CCCCCC(=O)CCC 1458a_100000211992_100011215482 [0,1,0,0,0,0|1,0,1]=3 1708 B10R0.1 C=CCCCCC(=O)CCC 1458a_100011215552_100000210303 [0,1,0,0,0,0|1,0,1]=3 1709 B10R0.1 C=CCCCCC(=O)CCF 1458a_100011215552_100011217306 [0,1,0,0,0,0|2,0,1]=4 1710 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011215552_100000211926 [0,1,0,0,0,0|2,0,1]=4 1711 B10R0.1 C=CCCCCC(=O)CCO 1458a_100011216618_100011215482 [0,1,0,0,0,0|2,0,1]=4 1712 B10R0.1 C=CCCCCC(=O)COC 1458a_100000210968_100011215482 [0,1,0,0,0,0|2,0,1]=4 1713 B10R0.1 C=CCCCCC(=O)CSC 1458a_100000184570_100011215482 [0,1,0,0,0,0|2,0,1]=4 1714 B10R0.1 C=CCCCCC(=O)NCC 11a_100015525214_100011215552 [0,1,0,0,0,0|1,0,1]=3 1715 B10R0.1 C=CCCCCC(=O)NCC 240690a_100015525214_100011215552 [0,1,0,0,0,0|1,0,1]=3 1716 B10R0.1 C=CCCCCC(=O)NCC 527a_100015525214_100011215552 [0,1,0,0,0,0|1,0,1]=3 1717 B10R0.1 C=CCCCCC(=O)NNC 22a_100016993582_100011215552 [0,1,0,0,0,0|2,0,1]=4 1718 B10R0.1 C=CCCCNC(=O)CCC 11a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 1719 B10R0.1 C=CCCCNC(=O)CCC 1626a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 1720 B10R0.1 C=CCCCNC(=O)CCC 240690a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 1721 B10R0.1 C=CCCCNC(=O)CCC 527a_100000700776_100000211992 [0,1,0,0,0,0|1,0,2]=4 1722 B10R0.1 C=CCCCNC(=O)NCC 2708a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 1723 B10R0.1 C=CCCCNC(=O)NCC 2708a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 1724 B10R0.1 C=CCCCNC(=O)NCC 273464a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 1725 B10R0.1 C=CCCCNC(=O)NCC 273464a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 1726 B10R0.1 C=CCCCNC(=O)NCC 512a_100000700776_100015525214 [0,1,0,0,0,0|1,0,2]=4 1727 B10R0.1 C=CCCCNC(=O)NCC 512a_100015525214_100000700776 [0,1,0,0,0,0|1,0,2]=4 1728 B10R0.1 C=CCCNCC(=O)CCC 2230a_100015191253_100000747444 [0,1,0,0,0,0|1,0,2]=4 1729 B10R0.1 C=CCCNCC(=O)NCC 2230a_100015191253_100000183381 [0,1,0,0,0,0|1,0,2]=4 1730 B10R0.1 C=CCCNCC(=O)NCC 2230a_100016988866_100000754431 [0,1,0,0,0,0|1,0,2]=4 1731 B10R0.1 C=CCCNCC(=O)OCC 2230a_100015191253_100000188475 [0,1,0,0,0,0|0,0,2]=3 1732 B10R0.1 C=CCCOCC(=O)NCC 34a_100011205117_100000183381 [0,1,0,0,0,0|1,0,2]=4 1733 B10R0.1 C=CCCOCC(=O)OCC 34a_100011205117_100000188475 [0,1,0,0,0,0|0,0,2]=3 1734 B10R0.1 C=CCCSCC(=O)CCC 62a_100000747444_100000754431 [0,1,0,0,0,0|1,0,2]=4 1735 B10R0.1 C=CCCSCC(=O)CCC 62a_100000754431_100000747444 [0,1,0,0,0,0|1,0,2]=4 1736 B10R0.1 C=CCCSCC(=O)NCC 62a_100000183381_100000754431 [0,1,0,0,0,0|1,0,2]=4 1737 B10R0.1 C=CCCSCC(=O)NCC 62a_100000754431_100000183381 [0,1,0,0,0,0|1,0,2]=4 1738 B10R0.1 C=CCCSCC(=O)OCC 62a_100000188475_100000754431 [0,1,0,0,0,0|0,0,2]=3 1739 B10R0.1 C=CCCSCC(=O)OCC 62a_100000754431_100000188475 [0,1,0,0,0,0|0,0,2]=3 1740 B10R0.1 C=CCNCCC(=O)NCC 2230a_100020586998_100000737597 [0,1,0,0,0,0|1,0,2]=4 1741 B10R0.1 C=CCNCCC(=O)NCC 34a_100025743525_100015514636 [0,1,0,0,0,0|1,0,2]=4 1742 B10R0.1 C=CCNCCC(=O)OCC 2230a_100020586998_100011206558 [0,1,0,0,0,0|0,0,2]=3 1743 B10R0.1 C=CCOCCC(=O)CCC 1458a_200011217002_100000210303 [0,1,0,0,0,0|1,0,2]=4 1744 B10R0.1 C=CCOCCC(=O)NCC 11a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 1745 B10R0.1 C=CCOCCC(=O)NCC 240690a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 1746 B10R0.1 C=CCOCCC(=O)NCC 527a_100015525214_200011217002 [0,1,0,0,0,0|1,0,2]=4 1747 B10R0.1 C=CCOCCC(=O)OCC 34a_200000210373_100000765890 [0,1,0,0,0,0|0,0,2]=3 1748 B10R0.1 C=CCSCCC(=O)NCC 62a_100000210623_100000737597 [0,1,0,0,0,0|1,0,2]=4 1749 B10R0.1 C=CCSCCC(=O)NCC 62a_100000737597_100000210623 [0,1,0,0,0,0|1,0,2]=4 1750 B10R0.1 C=CCSCCC(=O)OCC 62a_100000210623_100000765890 [0,1,0,0,0,0|0,0,2]=3 1751 B10R0.1 C=CCSCCC(=O)OCC 62a_100000765890_100000210623 [0,1,0,0,0,0|0,0,2]=3 1752 B10R0.1 C=CCSCOC(=O)OCC 62a_100000210623_100000075025 [0,1,0,0,0,0|1,0,2]=4 1753 B10R0.1 C=COC(=O)CNCCCC 2230a_100000102301_100000036128 [0,1,0,0,0,0|0,0,2]=3 1754 B10R0.1 C=COC(=O)CNCCCF 2230a_100015189416_100000036128 [0,1,0,0,0,0|1,0,2]=4 1755 B10R0.1 C=COC(=O)CNCCCF 34a_100015189416_100000036128 [0,1,0,0,0,0|1,0,2]=4 1756 B10R0.1 C=COC(=O)CNCCOC 2230a_100000209980_100000036128 [0,1,0,0,0,0|1,0,2]=4 1757 B10R0.1 C=COC(=O)CNCCSC 2230a_100020590264_100000036128 [0,1,0,0,0,0|1,0,2]=4 1758 B10R0.1 C=COC(=O)COCCCBr 34a_100011217188_100000036128 [0,1,0,0,0,0|1,0,2]=4 1759 B10R0.1 C=COC(=O)COCCCC 34a_100000210227_100000036128 [0,1,0,0,0,0|0,0,2]=3 1760 B10R0.1 C=COC(=O)COCCCCl 34a_100000230001_100000036128 [0,1,0,0,0,0|1,0,2]=4 1761 B10R0.1 C=COC(=O)COCCCF 34a_100000759539_100000036128 [0,1,0,0,0,0|1,0,2]=4 1762 B10R0.1 C=COC(=O)COCCCN 34a_100000182051_100000036128 [0,1,0,0,0,0|1,0,2]=4 1763 B10R0.1 C=COC(=O)COCCOC 34a_100000210237_100000036128 [0,1,0,0,0,0|1,0,2]=4 1764 B10R0.1 C=COC(=O)COCCSC 34a_100000230434_100000036128 [0,1,0,0,0,0|1,0,2]=4 1765 B10R0.1 C=COC(=O)CSCCCC 62a_100000036128_100000210210 [0,1,0,0,0,0|0,0,2]=3 1766 B10R0.1 C=COC(=O)CSCCCC 62a_100000210211_100000036128 [0,1,0,0,0,0|0,0,2]=3 1767 B10R0.1 C=COC(=O)CSCCCF 62a_100000036128_100011934791 [0,1,0,0,0,0|1,0,2]=4 1768 B10R0.1 C=COC(=O)CSCCCF 62a_100011934791_100000036128 [0,1,0,0,0,0|1,0,2]=4 1769 B10R0.1 C=COC(=O)CSCCCO 62a_100000036128_100011215043 [0,1,0,0,0,0|1,0,2]=4 1770 B10R0.1 C=COC(=O)CSCCCO 62a_100011215043_100000036128 [0,1,0,0,0,0|1,0,2]=4 1771 B10R0.1 C=COC(=O)CSCCOC 62a_100000036128_100000233755 [0,1,0,0,0,0|1,0,2]=4 1772 B10R0.1 C=COC(=O)CSCCOC 62a_100000233755_100000036128 [0,1,0,0,0,0|1,0,2]=4 1773 B10R0.1 C=COC(=O)CSCCSC 62a_100000036128_100000751147 [0,1,0,0,0,0|1,0,2]=4 1774 B10R0.1 C=COC(=O)CSCCSC 62a_100000212216_100000036128 [0,1,0,0,0,0|1,0,2]=4 1775 B10R0.1 C=COC(=O)CSCOCC 62a_100000036128_100000739092 [0,1,0,0,0,0|1,0,2]=4 1776 B10R0.1 C=COC(=O)CSCOCC 62a_100000739092_100000036128 [0,1,0,0,0,0|1,0,2]=4 1777 B10R0.1 CC#CC(=O)CC/C=C\CC 1458a_100000763181_100015370543 [0,1,0,0,0,0|1,0,2]=4 1778 B10R0.1 CC#CC(=O)CCCCC#N 1458a_100000763181_100000211819 [0,1,0,0,0,0|1,0,2]=4 1779 B10R0.1 CC#CC(=O)CCCCCC 1458a_100000763181_100000210757 [0,1,0,0,0,0|1,0,1]=3 1780 B10R0.1 CC#CC(=O)CCCCCF 1458a_100000763181_100000729378 [0,1,0,0,0,0|1,0,1]=3 1781 B10R0.1 CC#CC(=O)CCCCCO 1458a_100000763181_100000746330 [0,1,0,0,0,0|1,0,1]=3 1782 B10R0.1 CC#CC(=O)CCCCOC 1458a_100000763181_100000755781 [0,1,0,0,0,0|1,0,1]=3 1783 B10R0.1 CC#CC(=O)CCCOCC 1458a_100000763181_100012232248 [0,1,0,0,0,0|1,0,1]=3 1784 B10R0.1 CC#CC(=O)CCOCCC 1458a_100000763181_100011215938 [0,1,0,0,0,0|1,0,1]=3 1785 B10R0.1 CC#CC(=O)CCOCCO 1458a_100000763181_100011215305 [0,1,0,0,0,0|2,0,1]=4 1786 B10R0.1 CC#CC(=O)COCCCC 1458a_100000763181_100011995733 [0,1,0,0,0,0|1,0,1]=3 1787 B10R0.1 CC#CC(=O)NNCCCC 22a_100025702795_100000763181 [0,1,0,0,0,0|2,0,1]=4 1788 B10R0.1 CC#CCNCC(=O)CCC 2230a_100000685387_100000747444 [0,1,0,0,0,0|1,0,2]=4 1789 B10R0.1 CC#CCNCC(=O)NCC 2230a_100000685387_100000183381 [0,1,0,0,0,0|1,0,2]=4 1790 B10R0.1 CC#CCNCC(=O)NCC 2230a_100016988866_100000748600 [0,1,0,0,0,0|1,0,2]=4 1791 B10R0.1 CC#CCNCC(=O)NCC 34a_100000685387_100000183381 [0,1,0,0,0,0|1,0,2]=4 1792 B10R0.1 CC#CCNCC(=O)OCC 2230a_100000685387_100000188475 [0,1,0,0,0,0|0,0,2]=3 1793 B10R0.1 CC#CCNCC(=O)OCC 34a_100000685387_100000188475 [0,1,0,0,0,0|0,0,2]=3 1794 B10R0.1 CC#CCOCC(=O)NCC 34a_100000761923_100000183381 [0,1,0,0,0,0|1,0,2]=4 1795 B10R0.1 CC#CCOCC(=O)OCC 34a_100000761923_100000188475 [0,1,0,0,0,0|0,0,2]=3 1796 B10R0.1 CC#CCSCC(=O)CCC 62a_100000747444_100000748600 [0,1,0,0,0,0|1,0,2]=4 1797 B10R0.1 CC#CCSCC(=O)CCC 62a_100000748600_100000747444 [0,1,0,0,0,0|1,0,2]=4 1798 B10R0.1 CC#CCSCC(=O)NCC 62a_100000183381_100000748600 [0,1,0,0,0,0|1,0,2]=4 1799 B10R0.1 CC#CCSCC(=O)NCC 62a_100000748600_100000183381 [0,1,0,0,0,0|1,0,2]=4 1800 B10R0.1 CC#CCSCC(=O)OCC 62a_100000188475_100000748600 [0,1,0,0,0,0|0,0,2]=3 1801 B10R0.1 CC#CCSCC(=O)OCC 62a_100000748600_100000188475 [0,1,0,0,0,0|0,0,2]=3 1802 B10R0.1 CC/C=C\CCC(=O)CCC 1458a_100000211992_100015370543 [0,1,0,0,0,0|1,0,1]=3 1803 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [0,1,0,0,0,0|2,0,1]=4 1804 B10R0.1 CC/C=C\CCC(=O)COC 1458a_100000210968_100015370543 [0,1,0,0,0,0|2,0,1]=4 1805 B10R0.1 CC/C=C\CCC(=O)CSC 1458a_100000184570_100015370543 [0,1,0,0,0,0|2,0,1]=4 1806 B10R0.1 CC=CC(=O)CC/C=C\CC 1458a_100000210699_100015370543 [0,1,0,0,0,0|1,0,2]=4 1807 B10R0.1 CC=CC(=O)CCCCC#N 1458a_100000210699_100000211819 [0,1,0,0,0,0|1,0,2]=4 1808 B10R0.1 CC=CC(=O)CCCCCC 1458a_100000210699_100000210757 [0,1,0,0,0,0|1,0,1]=3 1809 B10R0.1 CC=CC(=O)CCCCCF 1458a_100000210699_100000729378 [0,1,0,0,0,0|1,0,1]=3 1810 B10R0.1 CC=CC(=O)CCCCCO 1458a_100000210699_100000746330 [0,1,0,0,0,0|1,0,1]=3 1811 B10R0.1 CC=CC(=O)CCCCOC 1458a_100000210699_100000755781 [0,1,0,0,0,0|1,0,1]=3 1812 B10R0.1 CC=CC(=O)CCCOCC 1458a_100000210699_100012232248 [0,1,0,0,0,0|1,0,1]=3 1813 B10R0.1 CC=CC(=O)CCOCCC 1458a_100000210699_100011215938 [0,1,0,0,0,0|1,0,1]=3 1814 B10R0.1 CC=CC(=O)CCOCCO 1458a_100000210699_100011215305 [0,1,0,0,0,0|2,0,1]=4 1815 B10R0.1 CC=CC(=O)COCCCC 1458a_100000210699_100011995733 [0,1,0,0,0,0|1,0,1]=3 1816 B10R0.1 CC=CC(=O)NCCCCC 11a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 1817 B10R0.1 CC=CC(=O)NCCCCC 1626a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 1818 B10R0.1 CC=CC(=O)NCCCCC 240690a_100000209983_100000210699 [0,1,0,0,0,0|1,0,1]=3 1819 B10R0.1 CC=CC(=O)NCCCCO 240690a_100000750430_100000210699 [0,1,0,0,0,0|2,0,1]=4 1820 B10R0.1 CC=CC(=O)NCCCOC 1626a_100150723488_100000210699 [0,1,0,0,0,0|2,0,1]=4 1821 B10R0.1 CC=CC(=O)NCCCOC 240690a_100150723488_100000210699 [0,1,0,0,0,0|2,0,1]=4 1822 B10R0.1 CC=CC(=O)NCCCSC 11a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 1823 B10R0.1 CC=CC(=O)NCCCSC 1626a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 1824 B10R0.1 CC=CC(=O)NCCCSC 240690a_100000749238_100000210699 [0,1,0,0,0,0|2,0,1]=4 1825 B10R0.1 CC=CC(=O)NCCOCC 11a_100011200944_100000210699 [0,1,0,0,0,0|2,0,1]=4 1826 B10R0.1 CC=CC(=O)NCCOCC 1626a_102516460346_100000210699 [0,1,0,0,0,0|2,0,1]=4 1827 B10R0.1 CC=CC(=O)NCCOCC 240690a_100011200944_100000210699 [0,1,0,0,0,0|2,0,1]=4 1828 B10R0.1 CC=CC(=O)NCCSCC 11a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 1829 B10R0.1 CC=CC(=O)NCCSCC 1626a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 1830 B10R0.1 CC=CC(=O)NCCSCC 240690a_100000106463_100000210699 [0,1,0,0,0,0|2,0,1]=4 1831 B10R0.1 CC=CC(=O)NNCCCC 22a_100025702795_100000210699 [0,1,0,0,0,0|2,0,1]=4 1832 B10R0.1 CC=CCNCC(=O)NCC 2230a_100016988866_100000070051 [0,1,0,0,0,0|1,0,2]=4 1833 B10R0.1 CC=CCSCC(=O)CCC 62a_100000070051_100000747444 [0,1,0,0,0,0|1,0,2]=4 1834 B10R0.1 CC=CCSCC(=O)CCC 62a_100000747444_100000070051 [0,1,0,0,0,0|1,0,2]=4 1835 B10R0.1 CC=CCSCC(=O)NCC 62a_100000070051_100000183381 [0,1,0,0,0,0|1,0,2]=4 1836 B10R0.1 CC=CCSCC(=O)NCC 62a_100000183381_100000070051 [0,1,0,0,0,0|1,0,2]=4 1837 B10R0.1 CC=CCSCC(=O)OCC 62a_100000070051_100000188475 [0,1,0,0,0,0|0,0,2]=3 1838 B10R0.1 CC=CCSCC(=O)OCC 62a_100000188475_100000070051 [0,1,0,0,0,0|0,0,2]=3 1839 B10R0.1 CCC/C=C/CC(=O)CCC 1458a_200016266809_100000210303 [0,1,0,0,0,0|1,0,1]=3 1840 B10R0.1 CCC/C=C/CC(=O)CCF 1458a_200016266809_100011217306 [0,1,0,0,0,0|2,0,1]=4 1841 B10R0.1 CCC/C=C/CC(=O)CCO 1458a_200016266809_100000211926 [0,1,0,0,0,0|2,0,1]=4 1842 B10R0.1 CCC/C=C/CC(=O)NCC 11a_100015525214_200016266809 [0,1,0,0,0,0|1,0,1]=3 1843 B10R0.1 CCC/C=C/CC(=O)NCC 240690a_100015525214_200016266809 [0,1,0,0,0,0|1,0,1]=3 1844 B10R0.1 CCC/C=C/CC(=O)NCC 527a_100015525214_200016266809 [0,1,0,0,0,0|1,0,1]=3 1845 B10R0.1 CCC/C=C/CC(=O)NNC 22a_100016993582_200016266809 [0,1,0,0,0,0|2,0,1]=4 1846 B10R0.1 CCCC(=O)CCCCC#N 1458a_100000211992_100000211819 [0,1,0,0,0,0|1,0,1]=3 1847 B10R0.1 CCCC(=O)CCCCCF 1458a_100000211992_100000729378 [0,1,0,0,0,0|1,0,0]=2 1848 B10R0.1 CCCC(=O)CCCCCO 1458a_100000211992_100000746330 [0,1,0,0,0,0|1,0,0]=2 1849 B10R0.1 CCCC(=O)CCCCCO 1458a_100102619762_100000210303 [0,1,0,0,0,0|1,0,0]=2 1850 B10R0.1 CCCC(=O)CCCCOC 1458a_100000211992_100000755781 [0,1,0,0,0,0|1,0,0]=2 1851 B10R0.1 CCCC(=O)CCCN=[N+]=[N-] 1458a_100010262590_100000210303 [0,1,0,0,0,0|3,0,0]=4 1852 B10R0.1 CCCC(=O)CCCOCC 1458a_100000211992_100012232248 [0,1,0,0,0,0|1,0,0]=2 1853 B10R0.1 CCCC(=O)CCOCC#N 1458a_100000211992_200000047693 [0,1,0,0,0,0|2,0,1]=4 1854 B10R0.1 CCCC(=O)CCOCCO 1458a_100000211992_100011215305 [0,1,0,0,0,0|2,0,0]=3 1855 B10R0.1 CCCC(=O)CCOCCO 1458a_100011229844_100000210303 [0,1,0,0,0,0|2,0,0]=3 1856 B10R0.1 CCCC(=O)CNCCCF 2230a_100015189416_100000747444 [0,1,0,0,0,0|2,0,0]=3 1857 B10R0.1 CCCC(=O)CNCCOC 2230a_100000209980_100000747444 [0,1,0,0,0,0|2,0,0]=3 1858 B10R0.1 CCCC(=O)CNCCSC 2230a_100020590264_100000747444 [0,1,0,0,0,0|2,0,0]=3 1859 B10R0.1 CCCC(=O)COCCOC 1458a_100000211095_100000210303 [0,1,0,0,0,0|2,0,0]=3 1860 B10R0.1 CCCC(=O)COCCSC 7a_100000230434_100000747444 [0,1,0,0,0,0|2,0,0]=3 1861 B10R0.1 CCCC(=O)CSCCC#N 62a_100000747444_100011215226 [0,1,0,0,0,0|2,0,1]=4 1862 B10R0.1 CCCC(=O)CSCCC#N 62a_100011215226_100000747444 [0,1,0,0,0,0|2,0,1]=4 1863 B10R0.1 CCCC(=O)CSCCCF 62a_100000747444_100011934791 [0,1,0,0,0,0|2,0,0]=3 1864 B10R0.1 CCCC(=O)CSCCCF 62a_100011934791_100000747444 [0,1,0,0,0,0|2,0,0]=3 1865 B10R0.1 CCCC(=O)CSCCCO 62a_100000747444_100011215043 [0,1,0,0,0,0|2,0,0]=3 1866 B10R0.1 CCCC(=O)CSCCCO 62a_100011215043_100000747444 [0,1,0,0,0,0|2,0,0]=3 1867 B10R0.1 CCCC(=O)CSCCOC 62a_100000233755_100000747444 [0,1,0,0,0,0|2,0,0]=3 1868 B10R0.1 CCCC(=O)CSCCOC 62a_100000747444_100000233755 [0,1,0,0,0,0|2,0,0]=3 1869 B10R0.1 CCCC(=O)CSCCSC 62a_100000212216_100000747444 [0,1,0,0,0,0|2,0,0]=3 1870 B10R0.1 CCCC(=O)CSCCSC 62a_100000747444_100000751147 [0,1,0,0,0,0|2,0,0]=3 1871 B10R0.1 CCCC(=O)CSCOCC 62a_100000739092_100000747444 [0,1,0,0,0,0|2,0,0]=3 1872 B10R0.1 CCCC(=O)CSCOCC 62a_100000747444_100000739092 [0,1,0,0,0,0|2,0,0]=3 1873 B10R0.1 CCCC(=O)NCCCCO 240690a_100000750430_100000211992 [0,1,0,0,0,0|2,0,0]=3 1874 B10R0.1 CCCC(=O)NCCCCO 527a_100000750430_100000211992 [0,1,0,0,0,0|2,0,0]=3 1875 B10R0.1 CCCC(=O)NCCCOC 1626a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 1876 B10R0.1 CCCC(=O)NCCCOC 240690a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 1877 B10R0.1 CCCC(=O)NCCCOC 527a_100150723488_100000211992 [0,1,0,0,0,0|2,0,0]=3 1878 B10R0.1 CCCC(=O)NCCCSC 11a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 1879 B10R0.1 CCCC(=O)NCCCSC 1626a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 1880 B10R0.1 CCCC(=O)NCCCSC 240690a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 1881 B10R0.1 CCCC(=O)NCCCSC 527a_100000749238_100000211992 [0,1,0,0,0,0|2,0,0]=3 1882 B10R0.1 CCCC(=O)NCCOCC 11a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 1883 B10R0.1 CCCC(=O)NCCOCC 1626a_102516460346_100000211992 [0,1,0,0,0,0|2,0,0]=3 1884 B10R0.1 CCCC(=O)NCCOCC 240690a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 1885 B10R0.1 CCCC(=O)NCCOCC 527a_100011200944_100000211992 [0,1,0,0,0,0|2,0,0]=3 1886 B10R0.1 CCCC(=O)NCCSCC 11a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 1887 B10R0.1 CCCC(=O)NCCSCC 1626a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 1888 B10R0.1 CCCC(=O)NCCSCC 240690a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 1889 B10R0.1 CCCC(=O)NCCSCC 527a_100000106463_100000211992 [0,1,0,0,0,0|2,0,0]=3 1890 B10R0.1 CCCC(=O)NNCCOC 22a_100000741390_100000211992 [0,1,0,0,0,0|3,0,0]=4 1891 B10R0.1 CCCC(=O)OCNCCF 34a_100000724931_100000034017 [0,1,0,0,0,0|3,0,0]=4 1892 B10R0.1 CCCC(=O)OCNCCO 2230a_100016997473_100000034017 [0,1,0,0,0,0|3,0,0]=4 1893 B10R0.1 CCCC(=O)OCNCCO 34a_100016990907_100000034017 [0,1,0,0,0,0|3,0,0]=4 1894 B10R0.1 CCCC(=O)OCOCCBr 34a_100000211926_100000034017 [0,1,0,0,0,0|3,0,0]=4 1895 B10R0.1 CCCC(=O)OCOCCN 34a_100000210304_100000034017 [0,1,0,0,0,0|3,0,0]=4 1896 B10R0.1 CCCC(=O)OCSCCF 62a_100011217306_100000034017 [0,1,0,0,0,0|3,0,0]=4 1897 B10R0.1 CCCC(=O)OCSCCO 62a_100000211926_100000034017 [0,1,0,0,0,0|3,0,0]=4 1898 B10R0.1 CCCC(=O)OCSCOC 62a_100000766300_100000034017 [0,1,0,0,0,0|3,0,0]=4 1899 B10R0.1 CCCC(=O)OCSCSC 62a_100011218213_100000034017 [0,1,0,0,0,0|3,0,0]=4 1900 B10R0.1 CCCC(C)CCCOCC 34a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1901 B10R0.1 CCCC(C)CCCOCC 7a_100011713154_100000210202 [0,1,0,0,0,0|2,0,1]=4 1902 B10R0.1 CCCC=NNC(=O)CCC 4a_100000189770_100000185831 [0,1,0,0,0,0|2,0,1]=4 1903 B10R0.1 CCCCC=CC(=O)CCC 1458a_100016266645_100000210303 [0,1,0,0,0,0|1,0,1]=3 1904 B10R0.1 CCCCC=CC(=O)CCF 1458a_100016266645_100011217306 [0,1,0,0,0,0|2,0,1]=4 1905 B10R0.1 CCCCC=CC(=O)CCO 1458a_100016266645_100000211926 [0,1,0,0,0,0|2,0,1]=4 1906 B10R0.1 CCCCC=CC(=O)NCC 11a_100015525214_100016266645 [0,1,0,0,0,0|1,0,1]=3 1907 B10R0.1 CCCCC=CC(=O)NCC 240690a_100015525214_100016266645 [0,1,0,0,0,0|1,0,1]=3 1908 B10R0.1 CCCCC=CC(=O)NNC 22a_100016993582_100016266645 [0,1,0,0,0,0|2,0,1]=4 1909 B10R0.1 CCCCCCC(=O)C=CBr 1458a_100016273825_100000210757 [0,1,0,0,0,0|2,0,1]=4 1910 B10R0.1 CCCCCCC(=O)C=CCl 1458a_200016279998_100000210757 [0,1,0,0,0,0|2,0,1]=4 1911 B10R0.1 CCCCCCC(=O)C=CI 1458a_100016256311_100000210757 [0,1,0,0,0,0|2,0,1]=4 1912 B10R0.1 CCCCCCC(=O)CC#N 1458a_100051588842_100000210757 [0,1,0,0,0,0|2,0,1]=4 1913 B10R0.1 CCCCCCC(=O)CC#N 1458a_100102632555_100011214920 [0,1,0,0,0,0|2,0,1]=4 1914 B10R0.1 CCCCCCC(=O)CCC 1458a_100000211992_100000210757 [0,1,0,0,0,0|1,0,0]=2 1915 B10R0.1 CCCCCCC(=O)CCC 1458a_100102632555_100000210303 [0,1,0,0,0,0|1,0,0]=2 1916 B10R0.1 CCCCCCC(=O)CCF 1458a_100102632555_100011217306 [0,1,0,0,0,0|2,0,0]=3 1917 B10R0.1 CCCCCCC(=O)CCO 1458a_100011216618_100000210757 [0,1,0,0,0,0|2,0,0]=3 1918 B10R0.1 CCCCCCC(=O)CCO 1458a_100102632555_100000211926 [0,1,0,0,0,0|2,0,0]=3 1919 B10R0.1 CCCCCCC(=O)COC 1458a_100000210968_100000210757 [0,1,0,0,0,0|2,0,0]=3 1920 B10R0.1 CCCCCCC(=O)CSC 1458a_100000184570_100000210757 [0,1,0,0,0,0|2,0,0]=3 1921 B10R0.1 CCCCCCC(=O)NCC 11a_100015525214_100102632555 [0,1,0,0,0,0|1,0,0]=2 1922 B10R0.1 CCCCCCC(=O)NCC 240690a_100015525214_100102632555 [0,1,0,0,0,0|1,0,0]=2 1923 B10R0.1 CCCCCCC(=O)NCC 527a_100015525214_100102632555 [0,1,0,0,0,0|1,0,0]=2 1924 B10R0.1 CCCCCCC(=O)NNC 22a_100016993582_100102632555 [0,1,0,0,0,0|2,0,0]=3 1925 B10R0.1 CCCCCCC(C)NCC 2230a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 1926 B10R0.1 CCCCCCC(C)NCC 2230a_100015525214_100011215978 [0,1,0,0,0,0|2,0,1]=4 1927 B10R0.1 CCCCCCC(C)NCC 270004a_100015525214_100000210826 [0,1,0,0,0,0|2,0,1]=4 1928 B10R0.1 CCCCCCC(C)NCC 34a_100000210919_100000210202 [0,1,0,0,0,0|2,0,1]=4 1929 B10R0.1 CCCCCCC(C)OCC 34a_100000210265_100000210202 [0,1,0,0,0,0|1,0,1]=3 1930 B10R0.1 CCCCCCC(C)OCC 34a_100121572206_100011215978 [0,1,0,0,0,0|1,0,1]=3 1931 B10R0.1 CCCCCCC(C)OCC 7a_100000210265_100000210202 [0,1,0,0,0,0|1,0,1]=3 1932 B10R0.1 CCCCCCC(C)OCF 34a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 1933 B10R0.1 CCCCCCC(C)OCF 7a_100000210265_100015361967 [0,1,0,0,0,0|2,0,1]=4 1934 B10R0.1 CCCCCCC(C)SCC 62a_100000210202_100011215978 [0,1,0,0,0,0|1,1,1]=4 1935 B10R0.1 CCCCCCC(C)SCC 62a_100011215978_100000210202 [0,1,0,0,0,0|1,1,1]=4 1936 B10R0.1 CCCCCCN(C)CCC 2230a_100000747261_100000210314 [0,1,0,0,0,0|3,0,0]=4 1937 B10R0.1 CCCCCCN(C)CCC 2230a_106256046315_100000210303 [0,1,0,0,0,0|3,0,0]=4 1938 B10R0.1 CCCCCCN(C)CCC 269982a_100000747261_100000210757 [0,1,0,0,0,0|3,0,0]=4 1939 B10R0.1 CCCCCCN(C)CCC 269982a_106256046315_100000210303 [0,1,0,0,0,0|3,0,0]=4 1940 B10R0.1 CCCCCNC(=O)C=CBr 1626a_100000209983_100016273825 [0,1,0,0,0,0|2,0,1]=4 1941 B10R0.1 CCCCCNC(=O)C=CBr 240690a_100000209983_100016273825 [0,1,0,0,0,0|2,0,1]=4 1942 B10R0.1 CCCCCNC(=O)C=CCl 11a_100000209983_200016279998 [0,1,0,0,0,0|2,0,1]=4 1943 B10R0.1 CCCCCNC(=O)C=CCl 1626a_100000209983_200016279998 [0,1,0,0,0,0|2,0,1]=4 1944 B10R0.1 CCCCCNC(=O)C=CCl 240690a_100000209983_200016279998 [0,1,0,0,0,0|2,0,1]=4 1945 B10R0.1 CCCCCNC(=O)C=CI 1626a_100000209983_100016256311 [0,1,0,0,0,0|2,0,1]=4 1946 B10R0.1 CCCCCNC(=O)CC#N 1626a_100000209983_100051588842 [0,1,0,0,0,0|2,0,1]=4 1947 B10R0.1 CCCCCNC(=O)CC#N 240690a_100000209983_100051588842 [0,1,0,0,0,0|2,0,1]=4 1948 B10R0.1 CCCCCNC(=O)CCC 11a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 1949 B10R0.1 CCCCCNC(=O)CCC 1626a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 1950 B10R0.1 CCCCCNC(=O)CCC 240690a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 1951 B10R0.1 CCCCCNC(=O)CCC 527a_100000209983_100000211992 [0,1,0,0,0,0|1,0,0]=2 1952 B10R0.1 CCCCCNC(=O)CCO 240690a_100000209983_100011216618 [0,1,0,0,0,0|2,0,0]=3 1953 B10R0.1 CCCCCNC(=O)CNC 2230a_106832991635_100000230301 [0,1,0,0,0,0|2,0,0]=3 1954 B10R0.1 CCCCCNC(=O)CNC 34a_100102657272_100000230301 [0,1,0,0,0,0|2,0,0]=3 1955 B10R0.1 CCCCCNC(=O)CNC 7a_106832991635_100000230301 [0,1,0,0,0,0|2,0,0]=3 1956 B10R0.1 CCCCCNC(=O)COC 11a_100000209983_100000210968 [0,1,0,0,0,0|2,0,0]=3 1957 B10R0.1 CCCCCNC(=O)COC 1626a_100000209983_100000210968 [0,1,0,0,0,0|2,0,0]=3 1958 B10R0.1 CCCCCNC(=O)COC 240690a_100000209983_100000210968 [0,1,0,0,0,0|2,0,0]=3 1959 B10R0.1 CCCCCNC(=O)COC 34a_100138415774_100000230301 [0,1,0,0,0,0|2,0,0]=3 1960 B10R0.1 CCCCCNC(=O)COC 527a_100000209983_100000210968 [0,1,0,0,0,0|2,0,0]=3 1961 B10R0.1 CCCCCNC(=O)CSC 11a_100000209983_100000184570 [0,1,0,0,0,0|2,0,0]=3 1962 B10R0.1 CCCCCNC(=O)CSC 1626a_100000209983_100000184570 [0,1,0,0,0,0|2,0,0]=3 1963 B10R0.1 CCCCCNC(=O)CSC 240690a_100000209983_100000184570 [0,1,0,0,0,0|2,0,0]=3 1964 B10R0.1 CCCCCNC(=O)CSC 527a_100000209983_100000184570 [0,1,0,0,0,0|2,0,0]=3 1965 B10R0.1 CCCCCNC(=O)CSC 62a_100000230301_200000210301 [0,1,0,0,0,0|2,0,0]=3 1966 B10R0.1 CCCCCNC(=O)CSC 62a_200000210301_100000230301 [0,1,0,0,0,0|2,0,0]=3 1967 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_100000230301_200025704644 [0,1,0,0,0,0|2,0,0]=3 1968 B10R0.1 CCCCCNC(=O)CS[13CH3] 62a_200025704644_100000230301 [0,1,0,0,0,0|2,0,0]=3 1969 B10R0.1 CCCCCNC(=O)NCC 2708a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 1970 B10R0.1 CCCCCNC(=O)NCC 2708a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 1971 B10R0.1 CCCCCNC(=O)NCC 273464a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 1972 B10R0.1 CCCCCNC(=O)NCC 273464a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 1973 B10R0.1 CCCCCNC(=O)NCC 512a_100000209983_100015525214 [0,1,0,0,0,0|1,0,0]=2 1974 B10R0.1 CCCCCNC(=O)NCC 512a_100015525214_100000209983 [0,1,0,0,0,0|1,0,0]=2 1975 B10R0.1 CCCCCNC(=O)NNC 273464a_100000209983_100016993582 [0,1,0,0,0,0|2,0,0]=3 1976 B10R0.1 CCCCCNC(=O)NNC 512a_100000209983_100016993582 [0,1,0,0,0,0|2,0,0]=3 1977 B10R0.1 CCCCCNC(=O)NNC 512a_100016993582_100000209983 [0,1,0,0,0,0|2,0,0]=3 1978 B10R0.1 CCCCCNC(C)CCC 2230a_100000209983_100000766640 [0,1,0,0,0,0|2,0,1]=4 1979 B10R0.1 CCCCCNC(C)CCC 2230a_100000741246_100000210326 [0,1,0,0,0,0|2,0,1]=4 1980 B10R0.1 CCCCCNC(C)CCC 270004a_100000209983_100000211909 [0,1,0,0,0,0|2,0,1]=4 1981 B10R0.1 CCCCCOC(C)CCC 34a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 1982 B10R0.1 CCCCCOC(C)CCC 34a_100000764384_100000718602 [0,1,0,0,0,0|2,0,1]=4 1983 B10R0.1 CCCCCOC(C)CCC 7a_100000210253_100000766640 [0,1,0,0,0,0|2,0,1]=4 1984 B10R0.1 CCCCCOC(C)CCC 7a_100000764384_100000210326 [0,1,0,0,0,0|2,0,1]=4 1985 B10R0.1 CCCCCSC(C)CCC 62a_100000210326_100000766640 [0,1,0,0,0,0|2,0,1]=4 1986 B10R0.1 CCCCCSC(C)CCC 62a_100000766640_100000210326 [0,1,0,0,0,0|2,0,1]=4 1987 B10R0.1 CCCCNCC(=O)CCC 2230a_100000102301_100000747444 [0,1,0,0,0,0|1,0,0]=2 1988 B10R0.1 CCCCNCC(=O)CCC 7a_106832991798_100000747444 [0,1,0,0,0,0|1,0,0]=2 1989 B10R0.1 CCCCNCC(=O)NCC 2230a_100000102301_100000183381 [0,1,0,0,0,0|1,0,0]=2 1990 B10R0.1 CCCCNCC(=O)NCC 2230a_100016988866_100000210211 [0,1,0,0,0,0|1,0,0]=2 1991 B10R0.1 CCCCNCC(=O)NCC 7a_106832991798_100000183381 [0,1,0,0,0,0|1,0,0]=2 1992 B10R0.1 CCCCNCC(=O)NCO 2230a_100000102301_100000185155 [0,1,0,0,0,0|2,0,0]=3 1993 B10R0.1 CCCCNCC(=O)NCO 7a_106832991798_100000185155 [0,1,0,0,0,0|2,0,0]=3 1994 B10R0.1 CCCCNCC(=O)OCC 2230a_100000102301_100000188475 [0,1,0,0,0,0|0,0,0]=1 1995 B10R0.1 CCCCNCC(=O)OCC 7a_106832991798_100000188475 [0,1,0,0,0,0|0,0,0]=1 1996 B10R0.1 CCCCNCC(C)CCC 2230a_100000102301_100011216630 [0,1,0,0,0,0|2,0,1]=4 1997 B10R0.1 CCCCNCC(C)CCC 270004a_100000102301_100000243154 [0,1,0,0,0,0|2,0,1]=4 1998 B10R0.1 CCCCNCC(C)CCC 7a_106832991798_100011216630 [0,1,0,0,0,0|2,0,1]=4 1999 B10R0.1 CCCCNN=C(C)CCC 4a_100025702795_100000211909 [0,1,0,0,0,0|3,0,0]=4 2000 B10R0.1 CCCCNNC(=O)CCC 22a_100025702795_100000211992 [0,1,0,0,0,0|2,0,0]=3 2001 B10R0.1 CCCCNNC(=O)CCO 22a_100025702795_100011216618 [0,1,0,0,0,0|3,0,0]=4 2002 B10R0.1 CCCCNNC(=O)COC 22a_100025702795_100000210968 [0,1,0,0,0,0|3,0,0]=4 2003 B10R0.1 CCCCNNC(=O)CSC 22a_100025702795_100000184570 [0,1,0,0,0,0|3,0,0]=4 2004 B10R0.1 CCCCNNC(=O)NCC 273464a_100015525214_100025702795 [0,1,0,0,0,0|2,0,0]=3 2005 B10R0.1 CCCCNNC(=O)NCC 512a_100015525214_100025702795 [0,1,0,0,0,0|2,0,0]=3 2006 B10R0.1 CCCCNNC(=O)NCC 512a_100025702795_100015525214 [0,1,0,0,0,0|2,0,0]=3 2007 B10R0.1 CCCCNNC(=O)NNC 512a_100016993582_100025702795 [0,1,0,0,0,0|3,0,0]=4 2008 B10R0.1 CCCCNNC(=O)NNC 512a_100025702795_100016993582 [0,1,0,0,0,0|3,0,0]=4 2009 B10R0.1 CCCCOCC(=O)C=CBr 1458a_100016273825_100011995733 [0,1,0,0,0,0|2,0,1]=4 2010 B10R0.1 CCCCOCC(=O)C=CCl 1458a_200016279998_100011995733 [0,1,0,0,0,0|2,0,1]=4 2011 B10R0.1 CCCCOCC(=O)C=CI 1458a_100016256311_100011995733 [0,1,0,0,0,0|2,0,1]=4 2012 B10R0.1 CCCCOCC(=O)CC#N 1458a_100000757543_100011214920 [0,1,0,0,0,0|2,0,1]=4 2013 B10R0.1 CCCCOCC(=O)CC#N 1458a_100051588842_100011995733 [0,1,0,0,0,0|2,0,1]=4 2014 B10R0.1 CCCCOCC(=O)CCC 1458a_100000211992_100011995733 [0,1,0,0,0,0|1,0,0]=2 2015 B10R0.1 CCCCOCC(=O)CCC 1458a_100000757543_100000210303 [0,1,0,0,0,0|1,0,0]=2 2016 B10R0.1 CCCCOCC(=O)CCC 7a_100000210227_100000747444 [0,1,0,0,0,0|1,0,0]=2 2017 B10R0.1 CCCCOCC(=O)CCF 1458a_100000757543_100011217306 [0,1,0,0,0,0|2,0,0]=3 2018 B10R0.1 CCCCOCC(=O)CCO 1458a_100000757543_100000211926 [0,1,0,0,0,0|2,0,0]=3 2019 B10R0.1 CCCCOCC(=O)CCO 1458a_100011216618_100011995733 [0,1,0,0,0,0|2,0,0]=3 2020 B10R0.1 CCCCOCC(=O)COC 1458a_100000210968_100011995733 [0,1,0,0,0,0|2,0,0]=3 2021 B10R0.1 CCCCOCC(=O)CSC 1458a_100000184570_100011995733 [0,1,0,0,0,0|2,0,0]=3 2022 B10R0.1 CCCCOCC(=O)NCC 11a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2023 B10R0.1 CCCCOCC(=O)NCC 240690a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2024 B10R0.1 CCCCOCC(=O)NCC 34a_100000210227_100000183381 [0,1,0,0,0,0|1,0,0]=2 2025 B10R0.1 CCCCOCC(=O)NCC 527a_100015525214_100000757543 [0,1,0,0,0,0|1,0,0]=2 2026 B10R0.1 CCCCOCC(=O)NCC 7a_100000210227_100000183381 [0,1,0,0,0,0|1,0,0]=2 2027 B10R0.1 CCCCOCC(=O)NCO 34a_100000210227_100000185155 [0,1,0,0,0,0|2,0,0]=3 2028 B10R0.1 CCCCOCC(=O)NCO 7a_100000210227_100000185155 [0,1,0,0,0,0|2,0,0]=3 2029 B10R0.1 CCCCOCC(=O)NNC 22a_100016993582_100000757543 [0,1,0,0,0,0|2,0,0]=3 2030 B10R0.1 CCCCOCC(=O)OCC 34a_100000210227_100000188475 [0,1,0,0,0,0|0,0,0]=1 2031 B10R0.1 CCCCOCC(=O)OCC 7a_100000210227_100000188475 [0,1,0,0,0,0|0,0,0]=1 2032 B10R0.1 CCCCOCC(C)CCC 34a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2033 B10R0.1 CCCCOCC(C)CCC 34a_100000688023_100000210210 [0,1,0,0,0,0|2,0,1]=4 2034 B10R0.1 CCCCOCC(C)CCC 7a_100000210227_100011216630 [0,1,0,0,0,0|2,0,1]=4 2035 B10R0.1 CCCCOCC(C)CCC 7a_100000688023_100000210211 [0,1,0,0,0,0|2,0,1]=4 2036 B10R0.1 CCCCOCC(C)OCC 34a_100011217071_100000210202 [0,1,0,0,0,0|1,0,1]=3 2037 B10R0.1 CCCCOCC(C)OCC 7a_100011217071_100000210202 [0,1,0,0,0,0|1,0,1]=3 2038 B10R0.1 CCCCOCC(C)OCF 34a_100011217071_100015361967 [0,1,0,0,0,0|2,0,1]=4 2039 B10R0.1 CCCCOCC(C)OCF 7a_100011217071_100015361967 [0,1,0,0,0,0|2,0,1]=4 2040 B10R0.1 CCCCOCN(C)CCC 2230a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2041 B10R0.1 CCCCOCN(C)CCC 269982a_100000747261_100011995733 [0,1,0,0,0,0|3,0,0]=4 2042 B10R0.1 CCCCOC[C@@H](N)CCC 34a_100000732646_100000210210 [0,1,0,0,0,0|2,0,1]=4 2043 B10R0.1 CCCCSCC(=O)CC#N 1458a_100000191162_100011214920 [0,1,0,0,0,0|2,0,1]=4 2044 B10R0.1 CCCCSCC(=O)CCC 1458a_100000191162_100000210303 [0,1,0,0,0,0|1,0,0]=2 2045 B10R0.1 CCCCSCC(=O)CCC 62a_100000210211_100000747444 [0,1,0,0,0,0|1,0,0]=2 2046 B10R0.1 CCCCSCC(=O)CCC 62a_100000747444_100000210210 [0,1,0,0,0,0|1,0,0]=2 2047 B10R0.1 CCCCSCC(=O)CCF 1458a_100000191162_100011217306 [0,1,0,0,0,0|2,0,0]=3 2048 B10R0.1 CCCCSCC(=O)CCO 1458a_100000191162_100000211926 [0,1,0,0,0,0|2,0,0]=3 2049 B10R0.1 CCCCSCC(=O)NCC 11a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2050 B10R0.1 CCCCSCC(=O)NCC 240690a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2051 B10R0.1 CCCCSCC(=O)NCC 527a_100015525214_100000191162 [0,1,0,0,0,0|1,0,0]=2 2052 B10R0.1 CCCCSCC(=O)NCC 62a_100000183381_100000210210 [0,1,0,0,0,0|1,0,0]=2 2053 B10R0.1 CCCCSCC(=O)NCC 62a_100000210211_100000183381 [0,1,0,0,0,0|1,0,0]=2 2054 B10R0.1 CCCCSCC(=O)NCO 62a_100000185155_100000210210 [0,1,0,0,0,0|2,0,0]=3 2055 B10R0.1 CCCCSCC(=O)NCO 62a_100000210211_100000185155 [0,1,0,0,0,0|2,0,0]=3 2056 B10R0.1 CCCCSCC(=O)NNC 22a_100016993582_100000191162 [0,1,0,0,0,0|2,0,0]=3 2057 B10R0.1 CCCCSCC(=O)OCC 62a_100000188475_100000210210 [0,1,0,0,0,0|0,0,0]=1 2058 B10R0.1 CCCCSCC(=O)OCC 62a_100000210211_100000188475 [0,1,0,0,0,0|0,0,0]=1 2059 B10R0.1 CCCCSCC(C)CCC 62a_100000210211_100011216630 [0,1,0,0,0,0|2,0,1]=4 2060 B10R0.1 CCCCSCC(C)CCC 62a_100011216630_100000210210 [0,1,0,0,0,0|2,0,1]=4 2061 B10R0.1 CCCN(C)CCCCCF 2230a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2062 B10R0.1 CCCN(C)CCCCCF 269982a_100000747261_100000729378 [0,1,0,0,0,0|3,0,0]=4 2063 B10R0.1 CCCN(C)CCCCCO 2230a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2064 B10R0.1 CCCN(C)CCCCCO 2230a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2065 B10R0.1 CCCN(C)CCCCCO 269982a_100000722520_100000210303 [0,1,0,0,0,0|3,0,0]=4 2066 B10R0.1 CCCN(C)CCCCCO 269982a_100000747261_100000746330 [0,1,0,0,0,0|3,0,0]=4 2067 B10R0.1 CCCN(C)CCCCOC 2230a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2068 B10R0.1 CCCN(C)CCCCOC 269982a_100000747261_100000730899 [0,1,0,0,0,0|3,0,0]=4 2069 B10R0.1 CCCN(C)CCCOCC 2230a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2070 B10R0.1 CCCN(C)CCCOCC 269982a_100000747261_100012232248 [0,1,0,0,0,0|3,0,0]=4 2071 B10R0.1 CCCNCCC(=O)NCC 34a_100025743525_100000210303 [0,1,0,0,0,0|1,0,0]=2 2072 B10R0.1 CCCNN=CC(=O)OCC 4a_100000740057_100000742314 [0,1,0,0,0,0|1,0,1]=3 2073 B10R0.1 CCCOCCC(=O)C=CBr 1458a_100016273825_100011215938 [0,1,0,0,0,0|2,0,1]=4 2074 B10R0.1 CCCOCCC(=O)C=CCl 1458a_200016279998_100011215938 [0,1,0,0,0,0|2,0,1]=4 2075 B10R0.1 CCCOCCC(=O)C=CI 1458a_100016256311_100011215938 [0,1,0,0,0,0|2,0,1]=4 2076 B10R0.1 CCCOCCC(=O)CC#N 1458a_100051588842_100011215938 [0,1,0,0,0,0|2,0,1]=4 2077 B10R0.1 CCCOCCC(=O)CCC 1458a_100000211992_100011215938 [0,1,0,0,0,0|1,0,0]=2 2078 B10R0.1 CCCOCCC(=O)CCO 1458a_100011216618_100011215938 [0,1,0,0,0,0|2,0,0]=3 2079 B10R0.1 CCCOCCC(=O)COC 1458a_100000210968_100011215938 [0,1,0,0,0,0|2,0,0]=3 2080 B10R0.1 CCCOCCC(=O)CSC 1458a_100000184570_100011215938 [0,1,0,0,0,0|2,0,0]=3 2081 B10R0.1 CCCOCCC(=O)OCC 34a_100000210258_100000765890 [0,1,0,0,0,0|0,0,0]=1 2082 B10R0.1 CCCOCCC(C)CCC 34a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2083 B10R0.1 CCCOCCC(C)CCC 7a_100011217855_100000210303 [0,1,0,0,0,0|2,0,1]=4 2084 B10R0.1 CCCOCCN(C)CCC 2230a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2085 B10R0.1 CCCOCCN(C)CCC 269982a_100000747261_100011215938 [0,1,0,0,0,0|3,0,0]=4 2086 B10R0.1 CCCOCC[C@@H](N)CCC 34a_100015193777_100000210303 [0,1,0,0,0,0|2,0,1]=4 2087 B10R0.1 CCCOCOC(=O)CCC 34a_100000210258_100000034017 [0,1,0,0,0,0|2,0,0]=3 2088 B10R0.1 CCCSCCC(=O)NCC 62a_100000210303_100000737597 [0,1,0,0,0,0|1,0,0]=2 2089 B10R0.1 CCCSCCC(=O)NCC 62a_100000737597_100000210303 [0,1,0,0,0,0|1,0,0]=2 2090 B10R0.1 CCCSCCC(=O)OCC 62a_100000210303_100000765890 [0,1,0,0,0,0|0,0,0]=1 2091 B10R0.1 CCCSCCC(=O)OCC 62a_100000765890_100000210303 [0,1,0,0,0,0|0,0,0]=1 2092 B10R0.1 CCCSCOC(=O)CCC 62a_100000210303_100000034017 [0,1,0,0,0,0|2,0,0]=3 2093 B10R0.1 CCCSCOC(=O)OCC 62a_100000210303_100000075025 [0,1,0,0,0,0|1,0,0]=2 2094 B10R0.1 CCNC(=O)CCCCCO 240690a_100015525214_100102619762 [0,1,0,0,0,0|1,0,0]=2 2095 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 11a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2096 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 240690a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2097 B10R0.1 CCNC(=O)CCCN=[N+]=[N-] 527a_100015525214_100010262590 [0,1,0,0,0,0|3,0,0]=4 2098 B10R0.1 CCNC(=O)CCNCC=O 34a_100025743525_200009817547 [0,1,0,0,0,0|2,0,1]=4 2099 B10R0.1 CCNC(=O)CCNCCF 34a_100025743525_100011217306 [0,1,0,0,0,0|2,0,0]=3 2100 B10R0.1 CCNC(=O)CCNCCO 2230a_100016997473_100000737597 [0,1,0,0,0,0|2,0,0]=3 2101 B10R0.1 CCNC(=O)CCNCCO 34a_100025743525_100000211926 [0,1,0,0,0,0|2,0,0]=3 2102 B10R0.1 CCNC(=O)CCNCSC 34a_100025743525_100011218213 [0,1,0,0,0,0|2,0,0]=3 2103 B10R0.1 CCNC(=O)CCOCCO 240690a_100015525214_100011229844 [0,1,0,0,0,0|2,0,0]=3 2104 B10R0.1 CCNC(=O)CCSCC#N 62a_100000737597_100011215382 [0,1,0,0,0,0|2,0,1]=4 2105 B10R0.1 CCNC(=O)CCSCC#N 62a_100011215382_100000737597 [0,1,0,0,0,0|2,0,1]=4 2106 B10R0.1 CCNC(=O)CCSCC=O 62a_100000737597_200015260668 [0,1,0,0,0,0|2,0,1]=4 2107 B10R0.1 CCNC(=O)CCSCC=O 62a_200015260668_100000737597 [0,1,0,0,0,0|2,0,1]=4 2108 B10R0.1 CCNC(=O)CCSCCF 62a_100000737597_100011217306 [0,1,0,0,0,0|2,0,0]=3 2109 B10R0.1 CCNC(=O)CCSCCF 62a_100011217306_100000737597 [0,1,0,0,0,0|2,0,0]=3 2110 B10R0.1 CCNC(=O)CCSCCO 62a_100000211926_100000737597 [0,1,0,0,0,0|2,0,0]=3 2111 B10R0.1 CCNC(=O)CCSCCO 62a_100000737597_100000211926 [0,1,0,0,0,0|2,0,0]=3 2112 B10R0.1 CCNC(=O)CCSCOC 62a_100000737597_100000766300 [0,1,0,0,0,0|2,0,0]=3 2113 B10R0.1 CCNC(=O)CCSCOC 62a_100000766300_100000737597 [0,1,0,0,0,0|2,0,0]=3 2114 B10R0.1 CCNC(=O)CCSCSC 62a_100000737597_100011218213 [0,1,0,0,0,0|2,0,0]=3 2115 B10R0.1 CCNC(=O)CCSCSC 62a_100011218213_100000737597 [0,1,0,0,0,0|2,0,0]=3 2116 B10R0.1 CCNC(=O)CNCCC#N 2230a_100016988866_100011215226 [0,1,0,0,0,0|2,0,1]=4 2117 B10R0.1 CCNC(=O)CNCCCF 2230a_100015189416_100000183381 [0,1,0,0,0,0|2,0,0]=3 2118 B10R0.1 CCNC(=O)CNCCCF 2230a_100016988866_100011934791 [0,1,0,0,0,0|2,0,0]=3 2119 B10R0.1 CCNC(=O)CNCCCF 34a_100015189416_100000183381 [0,1,0,0,0,0|2,0,0]=3 2120 B10R0.1 CCNC(=O)CNCCCO 2230a_100016988866_100000230001 [0,1,0,0,0,0|2,0,0]=3 2121 B10R0.1 CCNC(=O)CNCCOC 2230a_100000209980_100000183381 [0,1,0,0,0,0|2,0,0]=3 2122 B10R0.1 CCNC(=O)CNCCOC 2230a_100016988866_100011201679 [0,1,0,0,0,0|2,0,0]=3 2123 B10R0.1 CCNC(=O)CNCCSC 2230a_100016988866_100000751147 [0,1,0,0,0,0|2,0,0]=3 2124 B10R0.1 CCNC(=O)CNCCSC 2230a_100020590264_100000183381 [0,1,0,0,0,0|2,0,0]=3 2125 B10R0.1 CCNC(=O)COCCCBr 34a_100011217188_100000183381 [0,1,0,0,0,0|2,0,0]=3 2126 B10R0.1 CCNC(=O)COCCCCl 34a_100000230001_100000183381 [0,1,0,0,0,0|2,0,0]=3 2127 B10R0.1 CCNC(=O)COCCCF 34a_100000759539_100000183381 [0,1,0,0,0,0|2,0,0]=3 2128 B10R0.1 CCNC(=O)COCCCN 34a_100000182051_100000183381 [0,1,0,0,0,0|2,0,0]=3 2129 B10R0.1 CCNC(=O)COCCOC 11a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2130 B10R0.1 CCNC(=O)COCCOC 240690a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2131 B10R0.1 CCNC(=O)COCCOC 34a_100000210237_100000183381 [0,1,0,0,0,0|2,0,0]=3 2132 B10R0.1 CCNC(=O)COCCOC 527a_100015525214_100000211095 [0,1,0,0,0,0|2,0,0]=3 2133 B10R0.1 CCNC(=O)COCCON 34a_100000700252_100000183381 [0,1,0,0,0,0|3,0,0]=4 2134 B10R0.1 CCNC(=O)COCCSC 34a_100000230434_100000183381 [0,1,0,0,0,0|2,0,0]=3 2135 B10R0.1 CCNC(=O)COCCSC 7a_100000230434_100000183381 [0,1,0,0,0,0|2,0,0]=3 2136 B10R0.1 CCNC(=O)CSCCC#N 62a_100000183381_100011215226 [0,1,0,0,0,0|2,0,1]=4 2137 B10R0.1 CCNC(=O)CSCCC#N 62a_100011215226_100000183381 [0,1,0,0,0,0|2,0,1]=4 2138 B10R0.1 CCNC(=O)CSCCCF 62a_100000183381_100011934791 [0,1,0,0,0,0|2,0,0]=3 2139 B10R0.1 CCNC(=O)CSCCCF 62a_100011934791_100000183381 [0,1,0,0,0,0|2,0,0]=3 2140 B10R0.1 CCNC(=O)CSCCCO 62a_100000183381_100011215043 [0,1,0,0,0,0|2,0,0]=3 2141 B10R0.1 CCNC(=O)CSCCCO 62a_100011215043_100000183381 [0,1,0,0,0,0|2,0,0]=3 2142 B10R0.1 CCNC(=O)CSCCOC 62a_100000183381_100000233755 [0,1,0,0,0,0|2,0,0]=3 2143 B10R0.1 CCNC(=O)CSCCOC 62a_100000233755_100000183381 [0,1,0,0,0,0|2,0,0]=3 2144 B10R0.1 CCNC(=O)CSCCSC 62a_100000183381_100000751147 [0,1,0,0,0,0|2,0,0]=3 2145 B10R0.1 CCNC(=O)CSCCSC 62a_100000212216_100000183381 [0,1,0,0,0,0|2,0,0]=3 2146 B10R0.1 CCNC(=O)CSCOCC 62a_100000183381_100000739092 [0,1,0,0,0,0|2,0,0]=3 2147 B10R0.1 CCNC(=O)CSCOCC 62a_100000739092_100000183381 [0,1,0,0,0,0|2,0,0]=3 2148 B10R0.1 CCNC(=O)NCCCCO 2708a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2149 B10R0.1 CCNC(=O)NCCCCO 2708a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2150 B10R0.1 CCNC(=O)NCCCCO 273464a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2151 B10R0.1 CCNC(=O)NCCCCO 273464a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2152 B10R0.1 CCNC(=O)NCCCCO 512a_100000750430_100015525214 [0,1,0,0,0,0|2,0,0]=3 2153 B10R0.1 CCNC(=O)NCCCCO 512a_100015525214_100000750430 [0,1,0,0,0,0|2,0,0]=3 2154 B10R0.1 CCNC(=O)NCCCOC 2708a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2155 B10R0.1 CCNC(=O)NCCCOC 2708a_100150723488_100015525214 [0,1,0,0,0,0|2,0,0]=3 2156 B10R0.1 CCNC(=O)NCCCOC 273464a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2157 B10R0.1 CCNC(=O)NCCCOC 273464a_100150723488_100015525214 [0,1,0,0,0,0|2,0,0]=3 2158 B10R0.1 CCNC(=O)NCCCOC 512a_100015525214_100150723488 [0,1,0,0,0,0|2,0,0]=3 2159 B10R0.1 CCNC(=O)NCCCSC 2708a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2160 B10R0.1 CCNC(=O)NCCCSC 2708a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2161 B10R0.1 CCNC(=O)NCCCSC 273464a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2162 B10R0.1 CCNC(=O)NCCCSC 273464a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2163 B10R0.1 CCNC(=O)NCCCSC 512a_100000749238_100015525214 [0,1,0,0,0,0|2,0,0]=3 2164 B10R0.1 CCNC(=O)NCCCSC 512a_100015525214_100000749238 [0,1,0,0,0,0|2,0,0]=3 2165 B10R0.1 CCNC(=O)NCCOCC 2708a_100011200944_100015525214 [0,1,0,0,0,0|2,0,0]=3 2166 B10R0.1 CCNC(=O)NCCOCC 2708a_100015525214_100011200944 [0,1,0,0,0,0|2,0,0]=3 2167 B10R0.1 CCNC(=O)NCCOCC 273464a_100015525214_102516460346 [0,1,0,0,0,0|2,0,0]=3 2168 B10R0.1 CCNC(=O)NCCOCC 273464a_102516460346_100015525214 [0,1,0,0,0,0|2,0,0]=3 2169 B10R0.1 CCNC(=O)NCCOCC 512a_100011200944_100015525214 [0,1,0,0,0,0|2,0,0]=3 2170 B10R0.1 CCNC(=O)NCCOCC 512a_100015525214_100011200944 [0,1,0,0,0,0|2,0,0]=3 2171 B10R0.1 CCNC(=O)NCCSCC 2708a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2172 B10R0.1 CCNC(=O)NCCSCC 2708a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2173 B10R0.1 CCNC(=O)NCCSCC 273464a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2174 B10R0.1 CCNC(=O)NCCSCC 273464a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2175 B10R0.1 CCNC(=O)NCCSCC 512a_100000106463_100015525214 [0,1,0,0,0,0|2,0,0]=3 2176 B10R0.1 CCNC(=O)NCCSCC 512a_100015525214_100000106463 [0,1,0,0,0,0|2,0,0]=3 2177 B10R0.1 CCNC(=O)NNCCOC 273464a_100015525214_100000741390 [0,1,0,0,0,0|3,0,0]=4 2178 B10R0.1 CCNC/C=C/C(=O)OCC 2230a_100015525214_100016267167 [0,1,0,0,0,0|0,0,2]=3 2179 B10R0.1 CCNCCCC(=O)OCC 2230a_100015525214_100009991533 [0,1,0,0,0,0|0,0,0]=1 2180 B10R0.1 CCNN=C[CH-]C(=O)OCC 4a_100000756455_100010622808 [0,1,0,0,0,0|1,0,2]=4 2181 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100000210202_100016267167 [0,1,0,0,0,0|0,0,2]=3 2182 B10R0.1 CCOC(=O)/C=C/CSCC 62a_100016267167_100000210202 [0,1,0,0,0,0|0,0,2]=3 2183 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100015361967_100016267167 [0,1,0,0,0,0|1,0,2]=4 2184 B10R0.1 CCOC(=O)/C=C/CSCF 62a_100016267167_100015361967 [0,1,0,0,0,0|1,0,2]=4 2185 B10R0.1 CCOC(=O)C=NNCCO 4a_100000210001_100000742314 [0,1,0,0,0,0|2,0,1]=4 2186 B10R0.1 CCOC(=O)CCCCNC 2230a_106832991635_100000750268 [0,1,0,0,0,0|0,0,0]=1 2187 B10R0.1 CCOC(=O)CCCCNC 34a_100102657272_100000750268 [0,1,0,0,0,0|0,0,0]=1 2188 B10R0.1 CCOC(=O)CCCCNC 7a_106832991635_100000750268 [0,1,0,0,0,0|0,0,0]=1 2189 B10R0.1 CCOC(=O)CCCCOC 34a_100138415774_100000750268 [0,1,0,0,0,0|0,0,0]=1 2190 B10R0.1 CCOC(=O)CCCCSC 62a_100000750268_200000210301 [0,1,0,0,0,0|0,0,0]=1 2191 B10R0.1 CCOC(=O)CCCCSC 62a_200000210301_100000750268 [0,1,0,0,0,0|0,0,0]=1 2192 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_100000750268_200025704644 [0,1,0,0,0,0|0,0,0]=1 2193 B10R0.1 CCOC(=O)CCCCS[13CH3] 62a_200025704644_100000750268 [0,1,0,0,0,0|0,0,0]=1 2194 B10R0.1 CCOC(=O)CCCOCF 7a_100012001163_100015361967 [0,1,0,0,0,0|1,0,0]=2 2195 B10R0.1 CCOC(=O)CCCSCC 62a_100000210202_100009991533 [0,1,0,0,0,0|0,0,0]=1 2196 B10R0.1 CCOC(=O)CCCSCC 62a_100009991533_100000210202 [0,1,0,0,0,0|0,0,0]=1 2197 B10R0.1 CCOC(=O)CCCSCF 62a_100009991533_100015361967 [0,1,0,0,0,0|1,0,0]=2 2198 B10R0.1 CCOC(=O)CCCSCF 62a_100015361967_100009991533 [0,1,0,0,0,0|1,0,0]=2 2199 B10R0.1 CCOC(=O)CCNCCF 34a_100000724931_100000765890 [0,1,0,0,0,0|1,0,0]=2 2200 B10R0.1 CCOC(=O)CCNCCO 2230a_100016997473_100011206558 [0,1,0,0,0,0|1,0,0]=2 2201 B10R0.1 CCOC(=O)CCNCCO 34a_100016990907_100000765890 [0,1,0,0,0,0|1,0,0]=2 2202 B10R0.1 CCOC(=O)CCOCCBr 34a_100000211926_100000765890 [0,1,0,0,0,0|1,0,0]=2 2203 B10R0.1 CCOC(=O)CCOCCN 34a_100000210304_100000765890 [0,1,0,0,0,0|1,0,0]=2 2204 B10R0.1 CCOC(=O)CCSCC#N 62a_100000765890_100011215382 [0,1,0,0,0,0|1,0,1]=3 2205 B10R0.1 CCOC(=O)CCSCC#N 62a_100011215382_100000765890 [0,1,0,0,0,0|1,0,1]=3 2206 B10R0.1 CCOC(=O)CCSCC=O 62a_100000765890_200015260668 [0,1,0,0,0,0|1,0,1]=3 2207 B10R0.1 CCOC(=O)CCSCC=O 62a_200015260668_100000765890 [0,1,0,0,0,0|1,0,1]=3 2208 B10R0.1 CCOC(=O)CCSCCF 62a_100000765890_100011217306 [0,1,0,0,0,0|1,0,0]=2 2209 B10R0.1 CCOC(=O)CCSCCF 62a_100011217306_100000765890 [0,1,0,0,0,0|1,0,0]=2 2210 B10R0.1 CCOC(=O)CCSCCO 62a_100000211926_100000765890 [0,1,0,0,0,0|1,0,0]=2 2211 B10R0.1 CCOC(=O)CCSCCO 62a_100000765890_100000211926 [0,1,0,0,0,0|1,0,0]=2 2212 B10R0.1 CCOC(=O)CCSCOC 62a_100000765890_100000766300 [0,1,0,0,0,0|1,0,0]=2 2213 B10R0.1 CCOC(=O)CCSCOC 62a_100000766300_100000765890 [0,1,0,0,0,0|1,0,0]=2 2214 B10R0.1 CCOC(=O)CCSCSC 62a_100000765890_100011218213 [0,1,0,0,0,0|1,0,0]=2 2215 B10R0.1 CCOC(=O)CCSCSC 62a_100011218213_100000765890 [0,1,0,0,0,0|1,0,0]=2 2216 B10R0.1 CCOC(=O)CNCCCF 2230a_100015189416_100000188475 [0,1,0,0,0,0|1,0,0]=2 2217 B10R0.1 CCOC(=O)CNCCCF 34a_100015189416_100000188475 [0,1,0,0,0,0|1,0,0]=2 2218 B10R0.1 CCOC(=O)CNCCOC 2230a_100000209980_100000188475 [0,1,0,0,0,0|1,0,0]=2 2219 B10R0.1 CCOC(=O)CNCCSC 2230a_100020590264_100000188475 [0,1,0,0,0,0|1,0,0]=2 2220 B10R0.1 CCOC(=O)COCCCBr 34a_100011217188_100000188475 [0,1,0,0,0,0|1,0,0]=2 2221 B10R0.1 CCOC(=O)COCCCCl 34a_100000230001_100000188475 [0,1,0,0,0,0|1,0,0]=2 2222 B10R0.1 CCOC(=O)COCCCF 34a_100000759539_100000188475 [0,1,0,0,0,0|1,0,0]=2 2223 B10R0.1 CCOC(=O)COCCCN 34a_100000182051_100000188475 [0,1,0,0,0,0|1,0,0]=2 2224 B10R0.1 CCOC(=O)COCCNC 2230a_106832991635_100000088970 [0,1,0,0,0,0|1,0,0]=2 2225 B10R0.1 CCOC(=O)COCCNC 34a_100102657272_100000088970 [0,1,0,0,0,0|1,0,0]=2 2226 B10R0.1 CCOC(=O)COCCNC 7a_106832991635_100000088970 [0,1,0,0,0,0|1,0,0]=2 2227 B10R0.1 CCOC(=O)COCCOC 34a_100000210237_100000188475 [0,1,0,0,0,0|1,0,0]=2 2228 B10R0.1 CCOC(=O)COCCOC 34a_100138415774_100000088970 [0,1,0,0,0,0|1,0,0]=2 2229 B10R0.1 CCOC(=O)COCCON 34a_100000700252_100000188475 [0,1,0,0,0,0|2,0,0]=3 2230 B10R0.1 CCOC(=O)COCCSC 34a_100000230434_100000188475 [0,1,0,0,0,0|1,0,0]=2 2231 B10R0.1 CCOC(=O)COCCSC 62a_100000088970_200000210301 [0,1,0,0,0,0|1,0,0]=2 2232 B10R0.1 CCOC(=O)COCCSC 62a_200000210301_100000088970 [0,1,0,0,0,0|1,0,0]=2 2233 B10R0.1 CCOC(=O)COCCSC 7a_100000230434_100000188475 [0,1,0,0,0,0|1,0,0]=2 2234 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_100000088970_200025704644 [0,1,0,0,0,0|1,0,0]=2 2235 B10R0.1 CCOC(=O)COCCS[13CH3] 62a_200025704644_100000088970 [0,1,0,0,0,0|1,0,0]=2 2236 B10R0.1 CCOC(=O)CSCCC#N 62a_100000188475_100011215226 [0,1,0,0,0,0|1,0,1]=3 2237 B10R0.1 CCOC(=O)CSCCC#N 62a_100011215226_100000188475 [0,1,0,0,0,0|1,0,1]=3 2238 B10R0.1 CCOC(=O)CSCCCF 62a_100000188475_100011934791 [0,1,0,0,0,0|1,0,0]=2 2239 B10R0.1 CCOC(=O)CSCCCF 62a_100011934791_100000188475 [0,1,0,0,0,0|1,0,0]=2 2240 B10R0.1 CCOC(=O)CSCCCO 62a_100000188475_100011215043 [0,1,0,0,0,0|1,0,0]=2 2241 B10R0.1 CCOC(=O)CSCCCO 62a_100011215043_100000188475 [0,1,0,0,0,0|1,0,0]=2 2242 B10R0.1 CCOC(=O)CSCCOC 62a_100000188475_100000233755 [0,1,0,0,0,0|1,0,0]=2 2243 B10R0.1 CCOC(=O)CSCCOC 62a_100000233755_100000188475 [0,1,0,0,0,0|1,0,0]=2 2244 B10R0.1 CCOC(=O)CSCCOC 7a_200000230590_200000210301 [0,1,0,0,0,0|1,0,0]=2 2245 B10R0.1 CCOC(=O)CSCCO[13CH3] 7a_200000230590_200025704644 [0,1,0,0,0,0|1,0,0]=2 2246 B10R0.1 CCOC(=O)CSCCSC 62a_100000188475_100000751147 [0,1,0,0,0,0|1,0,0]=2 2247 B10R0.1 CCOC(=O)CSCCSC 62a_100000212216_100000188475 [0,1,0,0,0,0|1,0,0]=2 2248 B10R0.1 CCOC(=O)CSCSC#N 62a_100000188475_100000211825 [0,1,0,0,0,0|2,0,1]=4 2249 B10R0.1 CCOC(=O)CSCSC#N 62a_100000211825_100000188475 [0,1,0,0,0,0|2,0,1]=4 2250 B10R0.1 CCOC(=O)NCCOCF 34a_100000158857_100015361967 [0,1,0,0,0,0|2,0,0]=3 2251 B10R0.1 CCOC(=O)NCCSCC 62a_100000210202_200011445536 [0,1,0,0,0,0|1,0,0]=2 2252 B10R0.1 CCOC(=O)NCCSCF 62a_100015361967_200011445536 [0,1,0,0,0,0|2,0,0]=3 2253 B10R0.1 CCOC(=O)NN=CCSC 62a_200000210301_100015372823 [0,1,0,0,0,0|2,0,1]=4 2254 B10R0.1 CCOC(=O)NN=CCS[13CH3] 62a_200025704644_100015372823 [0,1,0,0,0,0|2,0,1]=4 2255 B10R0.1 CCOC(=O)OCSCC#N 62a_100011215382_100000075025 [0,1,0,0,0,0|2,0,1]=4 2256 B10R0.1 CCOC(=O)OCSCC=O 62a_200015260668_100000075025 [0,1,0,0,0,0|2,0,1]=4 2257 B10R0.1 CCOC(=O)OCSCCF 62a_100011217306_100000075025 [0,1,0,0,0,0|2,0,0]=3 2258 B10R0.1 CCOC(=O)OCSCCO 62a_100000211926_100000075025 [0,1,0,0,0,0|2,0,0]=3 2259 B10R0.1 CCOC(=O)OCSCOC 62a_100000766300_100000075025 [0,1,0,0,0,0|2,0,0]=3 2260 B10R0.1 CCOC(=O)OCSCSC 62a_100011218213_100000075025 [0,1,0,0,0,0|2,0,0]=3 2261 B10R0.1 CCOC/C=C/C(=O)OCC 34a_100121572206_100016267167 [0,1,0,0,0,0|0,0,2]=3 2262 B10R0.1 CCOCCCC(=O)C=CBr 1458a_100016273825_100012232248 [0,1,0,0,0,0|2,0,1]=4 2263 B10R0.1 CCOCCCC(=O)C=CCl 1458a_200016279998_100012232248 [0,1,0,0,0,0|2,0,1]=4 2264 B10R0.1 CCOCCCC(=O)C=CI 1458a_100016256311_100012232248 [0,1,0,0,0,0|2,0,1]=4 2265 B10R0.1 CCOCCCC(=O)CC#N 1458a_100051588842_100012232248 [0,1,0,0,0,0|2,0,1]=4 2266 B10R0.1 CCOCCCC(=O)CCO 1458a_100011216618_100012232248 [0,1,0,0,0,0|2,0,0]=3 2267 B10R0.1 CCOCCCC(=O)COC 1458a_100000210968_100012232248 [0,1,0,0,0,0|2,0,0]=3 2268 B10R0.1 CCOCCCC(=O)CSC 1458a_100000184570_100012232248 [0,1,0,0,0,0|2,0,0]=3 2269 B10R0.1 CCOCCCC(=O)OCC 34a_100121572206_100009991533 [0,1,0,0,0,0|0,0,0]=1 2270 B10R0.1 CCOCCCC(=O)OCC 7a_100012001163_100000210202 [0,1,0,0,0,0|0,0,0]=1 2271 B10R0.1 CCOCCNC(=O)CCO 240690a_100011200944_100011216618 [0,1,0,0,0,0|3,0,0]=4 2272 B10R0.1 CCOCCNC(=O)COC 11a_100011200944_100000210968 [0,1,0,0,0,0|3,0,0]=4 2273 B10R0.1 CCOCCNC(=O)COC 1626a_102516460346_100000210968 [0,1,0,0,0,0|3,0,0]=4 2274 B10R0.1 CCOCCNC(=O)COC 240690a_100011200944_100000210968 [0,1,0,0,0,0|3,0,0]=4 2275 B10R0.1 CCOCCNC(=O)COC 527a_100011200944_100000210968 [0,1,0,0,0,0|3,0,0]=4 2276 B10R0.1 CCOCCNC(=O)CSC 11a_100011200944_100000184570 [0,1,0,0,0,0|3,0,0]=4 2277 B10R0.1 CCOCCNC(=O)CSC 1626a_102516460346_100000184570 [0,1,0,0,0,0|3,0,0]=4 2278 B10R0.1 CCOCCNC(=O)CSC 240690a_100011200944_100000184570 [0,1,0,0,0,0|3,0,0]=4 2279 B10R0.1 CCOCCNC(=O)CSC 527a_100011200944_100000184570 [0,1,0,0,0,0|3,0,0]=4 2280 B10R0.1 CCOCCNC(=O)NNC 273464a_102516460346_100016993582 [0,1,0,0,0,0|3,0,0]=4 2281 B10R0.1 CCOCCNC(=O)NNC 512a_100011200944_100016993582 [0,1,0,0,0,0|3,0,0]=4 2282 B10R0.1 CCOCCNC(=O)NNC 512a_100016993582_100011200944 [0,1,0,0,0,0|3,0,0]=4 2283 B10R0.1 CCOCCNC(=O)OCC 34a_100000158857_100000210202 [0,1,0,0,0,0|1,0,0]=2 2284 B10R0.1 CCOCCOC(=O)CNC 2230a_106832991635_200000101388 [0,1,0,0,0,0|3,0,0]=4 2285 B10R0.1 CCOCCOC(=O)CNC 34a_100102657272_200000101388 [0,1,0,0,0,0|3,0,0]=4 2286 B10R0.1 CCOCCOC(=O)CNC 7a_106832991635_200000101388 [0,1,0,0,0,0|3,0,0]=4 2287 B10R0.1 CCOCCOC(=O)COC 34a_100138415774_200000101388 [0,1,0,0,0,0|3,0,0]=4 2288 B10R0.1 CCOCCOC(=O)CSC 62a_200000101388_200000210301 [0,1,0,0,0,0|3,0,0]=4 2289 B10R0.1 CCOCCOC(=O)CSC 62a_200000210301_200000101388 [0,1,0,0,0,0|3,0,0]=4 2290 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200000101388_200025704644 [0,1,0,0,0,0|3,0,0]=4 2291 B10R0.1 CCOCCOC(=O)CS[13CH3] 62a_200025704644_200000101388 [0,1,0,0,0,0|3,0,0]=4 2292 B10R0.1 CCOCSCC(=O)NCO 62a_100000185155_100000739092 [0,1,0,0,0,0|3,0,0]=4 2293 B10R0.1 CCOCSCC(=O)NCO 62a_100000739092_100000185155 [0,1,0,0,0,0|3,0,0]=4 2294 B10R0.1 CCOCSCC(=O)OCC 62a_100000188475_100000739092 [0,1,0,0,0,0|1,0,0]=2 2295 B10R0.1 CCOCSCC(=O)OCC 62a_100000739092_100000188475 [0,1,0,0,0,0|1,0,0]=2 2296 B10R0.1 CCSCCNC(=O)CCO 240690a_100000106463_100011216618 [0,1,0,0,0,0|3,0,0]=4 2297 B10R0.1 CCSCCNC(=O)COC 11a_100000106463_100000210968 [0,1,0,0,0,0|3,0,0]=4 2298 B10R0.1 CCSCCNC(=O)COC 1626a_100000106463_100000210968 [0,1,0,0,0,0|3,0,0]=4 2299 B10R0.1 CCSCCNC(=O)COC 240690a_100000106463_100000210968 [0,1,0,0,0,0|3,0,0]=4 2300 B10R0.1 CCSCCNC(=O)COC 527a_100000106463_100000210968 [0,1,0,0,0,0|3,0,0]=4 2301 B10R0.1 CCSCCNC(=O)CSC 11a_100000106463_100000184570 [0,1,0,0,0,0|3,0,0]=4 2302 B10R0.1 CCSCCNC(=O)CSC 1626a_100000106463_100000184570 [0,1,0,0,0,0|3,0,0]=4 2303 B10R0.1 CCSCCNC(=O)CSC 240690a_100000106463_100000184570 [0,1,0,0,0,0|3,0,0]=4 2304 B10R0.1 CCSCCNC(=O)CSC 527a_100000106463_100000184570 [0,1,0,0,0,0|3,0,0]=4 2305 B10R0.1 CCSCCNC(=O)NNC 273464a_100000106463_100016993582 [0,1,0,0,0,0|3,0,0]=4 2306 B10R0.1 CCSCCNC(=O)NNC 512a_100000106463_100016993582 [0,1,0,0,0,0|3,0,0]=4 2307 B10R0.1 CCSCCNC(=O)NNC 512a_100016993582_100000106463 [0,1,0,0,0,0|3,0,0]=4 2308 B10R0.1 CNCC(=O)NCCCOC 2230a_106832991635_100000183178 [0,1,0,0,0,0|3,0,0]=4 2309 B10R0.1 CNCC(=O)NCCCOC 34a_100102657272_100000183178 [0,1,0,0,0,0|3,0,0]=4 2310 B10R0.1 CNCC(=O)NCCCOC 7a_106832991635_100000183178 [0,1,0,0,0,0|3,0,0]=4 2311 B10R0.1 CNNC(=O)CCCCCO 22a_100016993582_100102619762 [0,1,0,0,0,0|2,0,0]=3 2312 B10R0.1 CNNC(=O)CCOCCO 22a_100016993582_100011229844 [0,1,0,0,0,0|3,0,0]=4 2313 B10R0.1 CNNC(=O)COCCOC 22a_100016993582_100000211095 [0,1,0,0,0,0|3,0,0]=4 2314 B10R0.1 CNNC(=O)NCCCCO 273464a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 2315 B10R0.1 CNNC(=O)NCCCCO 512a_100000750430_100016993582 [0,1,0,0,0,0|3,0,0]=4 2316 B10R0.1 CNNC(=O)NCCCCO 512a_100016993582_100000750430 [0,1,0,0,0,0|3,0,0]=4 2317 B10R0.1 CNNC(=O)NCCCOC 273464a_100150723488_100016993582 [0,1,0,0,0,0|3,0,0]=4 2318 B10R0.1 CNNC(=O)NCCCOC 512a_100016993582_100150723488 [0,1,0,0,0,0|3,0,0]=4 2319 B10R0.1 CNNC(=O)NCCCSC 273464a_100000749238_100016993582 [0,1,0,0,0,0|3,0,0]=4 2320 B10R0.1 CNNC(=O)NCCCSC 512a_100000749238_100016993582 [0,1,0,0,0,0|3,0,0]=4 2321 B10R0.1 CNNC(=O)NCCCSC 512a_100016993582_100000749238 [0,1,0,0,0,0|3,0,0]=4 2322 B10R0.1 COCC(=O)CCCCC#N 1458a_100000210968_100000211819 [0,1,0,0,0,0|2,0,1]=4 2323 B10R0.1 COCC(=O)CCCCCF 1458a_100000210968_100000729378 [0,1,0,0,0,0|2,0,0]=3 2324 B10R0.1 COCC(=O)CCCCCO 1458a_100000210968_100000746330 [0,1,0,0,0,0|2,0,0]=3 2325 B10R0.1 COCC(=O)CCOCCO 1458a_100000210968_100011215305 [0,1,0,0,0,0|3,0,0]=4 2326 B10R0.1 COCC(=O)NCCCCO 240690a_100000750430_100000210968 [0,1,0,0,0,0|3,0,0]=4 2327 B10R0.1 COCC(=O)NCCCCO 527a_100000750430_100000210968 [0,1,0,0,0,0|3,0,0]=4 2328 B10R0.1 COCC(=O)NCCCSC 11a_100000749238_100000210968 [0,1,0,0,0,0|3,0,0]=4 2329 B10R0.1 COCC(=O)NCCCSC 1626a_100000749238_100000210968 [0,1,0,0,0,0|3,0,0]=4 2330 B10R0.1 COCC(=O)NCCCSC 240690a_100000749238_100000210968 [0,1,0,0,0,0|3,0,0]=4 2331 B10R0.1 COCC(=O)NCCCSC 527a_100000749238_100000210968 [0,1,0,0,0,0|3,0,0]=4 2332 B10R0.1 COCCCCC(=O)C=CBr 1458a_100016273825_100000755781 [0,1,0,0,0,0|2,0,1]=4 2333 B10R0.1 COCCCCC(=O)C=CCl 1458a_200016279998_100000755781 [0,1,0,0,0,0|2,0,1]=4 2334 B10R0.1 COCCCCC(=O)C=CI 1458a_100016256311_100000755781 [0,1,0,0,0,0|2,0,1]=4 2335 B10R0.1 COCCCCC(=O)CC#N 1458a_100051588842_100000755781 [0,1,0,0,0,0|2,0,1]=4 2336 B10R0.1 COCCCCC(=O)CCO 1458a_100011216618_100000755781 [0,1,0,0,0,0|2,0,0]=3 2337 B10R0.1 COCCCCC(=O)COC 1458a_100000210968_100000755781 [0,1,0,0,0,0|2,0,0]=3 2338 B10R0.1 COCCCCC(=O)CSC 1458a_100000184570_100000755781 [0,1,0,0,0,0|2,0,0]=3 2339 B10R0.1 COCCCNC(=O)CCO 240690a_100150723488_100011216618 [0,1,0,0,0,0|3,0,0]=4 2340 B10R0.1 COCCCNC(=O)COC 1626a_100150723488_100000210968 [0,1,0,0,0,0|3,0,0]=4 2341 B10R0.1 COCCCNC(=O)COC 240690a_100150723488_100000210968 [0,1,0,0,0,0|3,0,0]=4 2342 B10R0.1 COCCCNC(=O)COC 34a_100138415774_100000183178 [0,1,0,0,0,0|3,0,0]=4 2343 B10R0.1 COCCCNC(=O)COC 527a_100150723488_100000210968 [0,1,0,0,0,0|3,0,0]=4 2344 B10R0.1 COCCCNC(=O)CSC 1626a_100150723488_100000184570 [0,1,0,0,0,0|3,0,0]=4 2345 B10R0.1 COCCCNC(=O)CSC 240690a_100150723488_100000184570 [0,1,0,0,0,0|3,0,0]=4 2346 B10R0.1 COCCCNC(=O)CSC 527a_100150723488_100000184570 [0,1,0,0,0,0|3,0,0]=4 2347 B10R0.1 COCCCNC(=O)CSC 62a_100000183178_200000210301 [0,1,0,0,0,0|3,0,0]=4 2348 B10R0.1 COCCCNC(=O)CS[13CH3] 62a_100000183178_200025704644 [0,1,0,0,0,0|3,0,0]=4 2349 B10R0.1 COCCNCC(=O)NCO 2230a_100000209980_100000185155 [0,1,0,0,0,0|3,0,0]=4 2350 B10R0.1 COCCOCC(=O)CCF 1458a_100000211095_100011217306 [0,1,0,0,0,0|3,0,0]=4 2351 B10R0.1 COCCOCC(=O)CCO 1458a_100000211095_100000211926 [0,1,0,0,0,0|3,0,0]=4 2352 B10R0.1 COCCOCC(=O)NCO 34a_100000210237_100000185155 [0,1,0,0,0,0|3,0,0]=4 2353 B10R0.1 COCCSCC(=O)NCO 62a_100000185155_100000233755 [0,1,0,0,0,0|3,0,0]=4 2354 B10R0.1 COCCSCC(=O)NCO 62a_100000233755_100000185155 [0,1,0,0,0,0|3,0,0]=4 2355 B10R0.1 CSCC(=O)CCCCC#N 1458a_100000184570_100000211819 [0,1,0,0,0,0|2,0,1]=4 2356 B10R0.1 CSCC(=O)CCCCCF 1458a_100000184570_100000729378 [0,1,0,0,0,0|2,0,0]=3 2357 B10R0.1 CSCC(=O)CCCCCO 1458a_100000184570_100000746330 [0,1,0,0,0,0|2,0,0]=3 2358 B10R0.1 CSCC(=O)CCOCCO 1458a_100000184570_100011215305 [0,1,0,0,0,0|3,0,0]=4 2359 B10R0.1 CSCC(=O)NCCCCO 240690a_100000750430_100000184570 [0,1,0,0,0,0|3,0,0]=4 2360 B10R0.1 CSCC(=O)NCCCCO 527a_100000750430_100000184570 [0,1,0,0,0,0|3,0,0]=4 2361 B10R0.1 CSCCCNC(=O)CCO 240690a_100000749238_100011216618 [0,1,0,0,0,0|3,0,0]=4 2362 B10R0.1 CSCCCNC(=O)CSC 11a_100000749238_100000184570 [0,1,0,0,0,0|3,0,0]=4 2363 B10R0.1 CSCCCNC(=O)CSC 1626a_100000749238_100000184570 [0,1,0,0,0,0|3,0,0]=4 2364 B10R0.1 CSCCCNC(=O)CSC 240690a_100000749238_100000184570 [0,1,0,0,0,0|3,0,0]=4 2365 B10R0.1 CSCCCNC(=O)CSC 527a_100000749238_100000184570 [0,1,0,0,0,0|3,0,0]=4 2366 B10R0.1 CSCCNCC(=O)NCO 2230a_100020590264_100000185155 [0,1,0,0,0,0|3,0,0]=4 2367 B10R0.1 CSCCOCC(=O)NCO 34a_100000230434_100000185155 [0,1,0,0,0,0|3,0,0]=4 2368 B10R0.1 CSCCOCC(=O)NCO 7a_100000230434_100000185155 [0,1,0,0,0,0|3,0,0]=4 2369 B10R0.1 CSCCSCC(=O)NCO 62a_100000185155_100000751147 [0,1,0,0,0,0|3,0,0]=4 2370 B10R0.1 CSCCSCC(=O)NCO 62a_100000212216_100000185155 [0,1,0,0,0,0|3,0,0]=4 2371 B10R0.1 N#CCC(=O)CCCCCF 1458a_100051588842_100000729378 [0,1,0,0,0,0|2,0,1]=4 2372 B10R0.1 N#CCC(=O)CCCCCO 1458a_100051588842_100000746330 [0,1,0,0,0,0|2,0,1]=4 2373 B10R0.1 N#CCC(=O)CCCCCO 1458a_100102619762_100011214920 [0,1,0,0,0,0|2,0,1]=4 2374 B10R0.1 N#CCCCCC(=O)CCO 1458a_100011216618_100000211819 [0,1,0,0,0,0|2,0,1]=4 2375 B10R0.1 NCCCOCC(=O)NCO 34a_100000182051_100000185155 [0,1,0,0,0,0|3,0,0]=4 2376 B10R0.1 O=C(C=CBr)CCCCCF 1458a_100016273825_100000729378 [0,1,0,0,0,0|2,0,1]=4 2377 B10R0.1 O=C(C=CBr)CCCCCO 1458a_100016273825_100000746330 [0,1,0,0,0,0|2,0,1]=4 2378 B10R0.1 O=C(C=CCl)CCCCCF 1458a_200016279998_100000729378 [0,1,0,0,0,0|2,0,1]=4 2379 B10R0.1 O=C(C=CCl)CCCCCO 1458a_200016279998_100000746330 [0,1,0,0,0,0|2,0,1]=4 2380 B10R0.1 O=C(C=CI)CCCCCF 1458a_100016256311_100000729378 [0,1,0,0,0,0|2,0,1]=4 2381 B10R0.1 O=C(C=CI)CCCCCO 1458a_100016256311_100000746330 [0,1,0,0,0,0|2,0,1]=4 2382 B10R0.1 O=C(CCF)CCCCCO 1458a_100102619762_100011217306 [0,1,0,0,0,0|2,0,0]=3 2383 B10R0.1 O=C(CCF)CCOCCO 1458a_100011229844_100011217306 [0,1,0,0,0,0|3,0,0]=4 2384 B10R0.1 O=C(CCO)CCCCCF 1458a_100011216618_100000729378 [0,1,0,0,0,0|2,0,0]=3 2385 B10R0.1 O=C(CCO)CCCCCO 1458a_100011216618_100000746330 [0,1,0,0,0,0|2,0,0]=3 2386 B10R0.1 O=C(CCO)CCCCCO 1458a_100102619762_100000211926 [0,1,0,0,0,0|2,0,0]=3 2387 B10R0.1 O=C(CCO)CCOCCO 1458a_100011216618_100011215305 [0,1,0,0,0,0|3,0,0]=4 2388 B10R0.1 O=C(CCO)CCOCCO 1458a_100011229844_100000211926 [0,1,0,0,0,0|3,0,0]=4 2389 B10R0.1 O=C(CCO)NCCCCO 240690a_100000750430_100011216618 [0,1,0,0,0,0|3,0,0]=4 2390 B10R0.1 O=C(CNCCCF)NCO 2230a_100015189416_100000185155 [0,1,0,0,0,0|3,0,0]=4 2391 B10R0.1 O=C(CNCCCF)NCO 34a_100015189416_100000185155 [0,1,0,0,0,0|3,0,0]=4 2392 B10R0.1 O=C(COCCCBr)NCO 34a_100011217188_100000185155 [0,1,0,0,0,0|3,0,0]=4 2393 B10R0.1 O=C(COCCCCl)NCO 34a_100000230001_100000185155 [0,1,0,0,0,0|3,0,0]=4 2394 B10R0.1 O=C(COCCCF)NCO 34a_100000759539_100000185155 [0,1,0,0,0,0|3,0,0]=4 2395 B10R0.1 O=C(CSCCCF)NCO 62a_100000185155_100011934791 [0,1,0,0,0,0|3,0,0]=4 2396 B10R0.1 O=C(CSCCCF)NCO 62a_100011934791_100000185155 [0,1,0,0,0,0|3,0,0]=4 2397 B10R0.1 O=C(CSCCCO)NCO 62a_100000185155_100011215043 [0,1,0,0,0,0|3,0,0]=4 2398 B10R0.1 O=C(CSCCCO)NCO 62a_100011215043_100000185155 [0,1,0,0,0,0|3,0,0]=4 2399 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100000243816_100000184674 [0,1,0,0,0,0|0,0,3]=4 2400 B10R0.2 C#CCC(=O)CC(=O)OCC 1458a_100011220946_100000188475 [0,1,0,0,0,0|0,0,3]=4 2401 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100000748435_100000184674 [0,1,0,0,0,0|1,0,2]=4 2402 B10R0.2 C#CCC(=O)CC(C)CCC 1458a_100011220946_100011216630 [0,1,0,0,0,0|1,0,2]=4 2403 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000220588_100000038162 [0,1,0,0,0,0|1,0,2]=4 2404 B10R0.2 C#CCN(C)CC(=O)OCC 2230a_100000225692_100000188475 [0,1,0,0,0,0|1,0,2]=4 2405 B10R0.2 C#CCN(C)CC(=O)OCC 34a_100000225692_100000188475 [0,1,0,0,0,0|1,0,2]=4 2406 B10R0.2 C=C(CCC)CC(=O)CCC 1458a_100000138376_100000210303 [0,1,0,0,0,0|1,0,1]=3 2407 B10R0.2 C=C(CCC)CC(=O)CCF 1458a_100000138376_100011217306 [0,1,0,0,0,0|2,0,1]=4 2408 B10R0.2 C=C(CCC)CC(=O)CCO 1458a_100000138376_100000211926 [0,1,0,0,0,0|2,0,1]=4 2409 B10R0.2 C=C(CCC)CC(=O)NCC 11a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 2410 B10R0.2 C=C(CCC)CC(=O)NCC 240690a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 2411 B10R0.2 C=C(CCC)CC(=O)NCC 527a_100015525214_100000138376 [0,1,0,0,0,0|1,0,1]=3 2412 B10R0.2 C=C(CCC)CC(=O)NNC 22a_100016993582_100000138376 [0,1,0,0,0,0|2,0,1]=4 2413 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000210193_100000188475 [0,1,0,0,0,0|0,0,3]=4 2414 B10R0.2 C=CCC(=O)CC(=O)OCC 1458a_100000243816_100000210623 [0,1,0,0,0,0|0,0,3]=4 2415 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000210193_100011216630 [0,1,0,0,0,0|1,0,2]=4 2416 B10R0.2 C=CCC(=O)CC(C)CCC 1458a_100000748435_100000210623 [0,1,0,0,0,0|1,0,2]=4 2417 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000220588_100000210623 [0,1,0,0,0,0|1,0,2]=4 2418 B10R0.2 C=CCN(C)CC(=O)OCC 2230a_100000225617_100000188475 [0,1,0,0,0,0|1,0,2]=4 2419 B10R0.2 C=CCN(C)CC(=O)OCC 269982a_100000225617_100000188475 [0,1,0,0,0,0|1,0,2]=4 2420 B10R0.2 C=COC(=O)CC(=O)CCC 1458a_100000211992_100000036128 [0,1,0,0,0,0|0,0,3]=4 2421 B10R0.2 C=COC(=O)CN(C)CCC 2230a_100000747261_100000036128 [0,1,0,0,0,0|1,0,2]=4 2422 B10R0.2 C=COC(=O)CN(C)CCC 269982a_100000747261_100000036128 [0,1,0,0,0,0|1,0,2]=4 2423 B10R0.2 CC#CC(=O)CC(=O)CCC 1458a_100000763181_100000747444 [0,1,0,0,0,0|1,0,2]=4 2424 B10R0.2 CC#CC(=O)CC(=O)OCC 1458a_100000763181_100000188475 [0,1,0,0,0,0|0,0,3]=4 2425 B10R0.2 CC#CC(=O)CC(C)CCC 1458a_100000763181_100011216630 [0,1,0,0,0,0|1,0,1]=3 2426 B10R0.2 CC=CC(=O)CC(=O)CCC 1458a_100000210699_100000747444 [0,1,0,0,0,0|1,0,2]=4 2427 B10R0.2 CC=CC(=O)CC(=O)OCC 1458a_100000210699_100000188475 [0,1,0,0,0,0|0,0,3]=4 2428 B10R0.2 CC=CC(=O)CC(C)CCC 1458a_100000210699_100011216630 [0,1,0,0,0,0|1,0,1]=3 2429 B10R0.2 CC=CC(=O)NC(C)CCC 11a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 2430 B10R0.2 CC=CC(=O)NC(C)CCC 1626a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 2431 B10R0.2 CC=CC(=O)NC(C)CCC 240690a_100000741246_100000210699 [0,1,0,0,0,0|2,0,1]=4 2432 B10R0.2 CCCC(=CC(=O)NCC)C 11a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 2433 B10R0.2 CCCC(=CC(=O)NCC)C 240690a_100015525214_100020676950 [0,1,0,0,0,0|1,0,2]=4 2434 B10R0.2 CCCC(=O)C=C(C)CCC 1458a_100020676950_100000210303 [0,1,0,0,0,0|1,0,2]=4 2435 B10R0.2 CCCC(=O)CC(=O)CCC 1458a_100000211992_100000747444 [0,1,0,0,0,0|1,0,1]=3 2436 B10R0.2 CCCC(=O)CC(=O)CCO 1458a_100011216618_100000747444 [0,1,0,0,0,0|2,0,1]=4 2437 B10R0.2 CCCC(=O)CC(=O)COC 1458a_100000210968_100000747444 [0,1,0,0,0,0|2,0,1]=4 2438 B10R0.2 CCCC(=O)CC(=O)CSC 1458a_100000184570_100000747444 [0,1,0,0,0,0|2,0,1]=4 2439 B10R0.2 CCCC(=O)CC(=O)NCC 1458a_100000211992_100000183381 [0,1,0,0,0,0|1,0,1]=3 2440 B10R0.2 CCCC(=O)CC(=O)NCO 1458a_100000211992_100000185155 [0,1,0,0,0,0|2,0,1]=4 2441 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000211992_100000188475 [0,1,0,0,0,0|0,0,1]=2 2442 B10R0.2 CCCC(=O)CC(=O)OCC 1458a_100000243816_100000210303 [0,1,0,0,0,0|0,0,1]=2 2443 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000211992_100011216630 [0,1,0,0,0,0|1,0,0]=2 2444 B10R0.2 CCCC(=O)CC(C)CCC 1458a_100000748435_100000210303 [0,1,0,0,0,0|1,0,0]=2 2445 B10R0.2 CCCC(=O)CC(C)SCC 1458a_200011311441_100000210303 [0,1,0,0,0,0|2,0,0]=3 2446 B10R0.2 CCCC(=O)CN(C)CCC 2230a_100000747261_100000747444 [0,1,0,0,0,0|2,0,0]=3 2447 B10R0.2 CCCC(=O)CN(C)CCC 269982a_100000747261_100000747444 [0,1,0,0,0,0|2,0,0]=3 2448 B10R0.2 CCCC(=O)CN(C)CCO 2230a_100000210263_100000747444 [0,1,0,0,0,0|3,0,0]=4 2449 B10R0.2 CCCC(=O)CN(C)CCO 269982a_100000210263_100000747444 [0,1,0,0,0,0|3,0,0]=4 2450 B10R0.2 CCCC(=O)CS(=O)CCC 1458a_100011387404_100000210303 [0,1,0,0,0,0|2,0,0]=3 2451 B10R0.2 CCCC(=O)NC(C)CCC 11a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 2452 B10R0.2 CCCC(=O)NC(C)CCC 1626a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 2453 B10R0.2 CCCC(=O)NC(C)CCC 240690a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 2454 B10R0.2 CCCC(=O)NC(C)CCC 527a_100000741246_100000211992 [0,1,0,0,0,0|2,0,0]=3 2455 B10R0.2 CCCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211992 [0,1,0,0,0,0|3,0,0]=4 2456 B10R0.2 CCCC(=O)N[C@H](C)CCO 527a_100000706166_100000211992 [0,1,0,0,0,0|3,0,0]=4 2457 B10R0.2 CCCC(=O)N[C@H](C)COC 11a_100000764878_100000211992 [0,1,0,0,0,0|3,0,0]=4 2458 B10R0.2 CCCC(=O)N[C@H](C)COC 1626a_100000764878_100000211992 [0,1,0,0,0,0|3,0,0]=4 2459 B10R0.2 CCCC(=O)N[C@H](C)COC 240690a_100000764878_100000211992 [0,1,0,0,0,0|3,0,0]=4 2460 B10R0.2 CCCC(=O)N[C@H](C)COC 527a_100000764878_100000211992 [0,1,0,0,0,0|3,0,0]=4 2461 B10R0.2 CCCC(C)CC(=O)C=CBr 1458a_100016273825_100011216630 [0,1,0,0,0,0|2,0,1]=4 2462 B10R0.2 CCCC(C)CC(=O)C=CCl 1458a_200016279998_100011216630 [0,1,0,0,0,0|2,0,1]=4 2463 B10R0.2 CCCC(C)CC(=O)C=CI 1458a_100016256311_100011216630 [0,1,0,0,0,0|2,0,1]=4 2464 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100000748435_100011214920 [0,1,0,0,0,0|2,0,1]=4 2465 B10R0.2 CCCC(C)CC(=O)CC#N 1458a_100051588842_100011216630 [0,1,0,0,0,0|2,0,1]=4 2466 B10R0.2 CCCC(C)CC(=O)CCF 1458a_100000748435_100011217306 [0,1,0,0,0,0|2,0,0]=3 2467 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100000748435_100000211926 [0,1,0,0,0,0|2,0,0]=3 2468 B10R0.2 CCCC(C)CC(=O)CCO 1458a_100011216618_100011216630 [0,1,0,0,0,0|2,0,0]=3 2469 B10R0.2 CCCC(C)CC(=O)COC 1458a_100000210968_100011216630 [0,1,0,0,0,0|2,0,0]=3 2470 B10R0.2 CCCC(C)CC(=O)CSC 1458a_100000184570_100011216630 [0,1,0,0,0,0|2,0,0]=3 2471 B10R0.2 CCCC(C)CC(=O)NCC 11a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 2472 B10R0.2 CCCC(C)CC(=O)NCC 240690a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 2473 B10R0.2 CCCC(C)CC(=O)NCC 527a_100015525214_100000748435 [0,1,0,0,0,0|1,0,0]=2 2474 B10R0.2 CCCC(C)CC(=O)NNC 22a_100016993582_100000748435 [0,1,0,0,0,0|2,0,0]=3 2475 B10R0.2 CCCC(C)CN(C)CCC 2230a_100000747261_100011216630 [0,1,0,0,0,0|3,0,0]=4 2476 B10R0.2 CCCC(C)CN(C)CCC 269982a_100000747261_100011216630 [0,1,0,0,0,0|3,0,0]=4 2477 B10R0.2 CCCC(C)CN(C)CCC 270004a_100000747261_100000243154 [0,1,0,0,0,0|3,0,0]=4 2478 B10R0.2 CCCC(C)NC(=O)CCO 240690a_100000741246_100011216618 [0,1,0,0,0,0|3,0,0]=4 2479 B10R0.2 CCCC(C)NC(=O)COC 11a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 2480 B10R0.2 CCCC(C)NC(=O)COC 1626a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 2481 B10R0.2 CCCC(C)NC(=O)COC 240690a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 2482 B10R0.2 CCCC(C)NC(=O)COC 527a_100000741246_100000210968 [0,1,0,0,0,0|3,0,0]=4 2483 B10R0.2 CCCC(C)NC(=O)CSC 11a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 2484 B10R0.2 CCCC(C)NC(=O)CSC 1626a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 2485 B10R0.2 CCCC(C)NC(=O)CSC 240690a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 2486 B10R0.2 CCCC(C)NC(=O)CSC 527a_100000741246_100000184570 [0,1,0,0,0,0|3,0,0]=4 2487 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 2488 B10R0.2 CCCC(C)NC(=O)NCC 2708a_100015525214_100000741246 [0,1,0,0,0,0|2,0,0]=3 2489 B10R0.2 CCCC(C)NC(=O)NCC 273464a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 2490 B10R0.2 CCCC(C)NC(=O)NCC 512a_100000741246_100015525214 [0,1,0,0,0,0|2,0,0]=3 2491 B10R0.2 CCCC(C)NC(=O)NCC 512a_100015525214_100000741246 [0,1,0,0,0,0|2,0,0]=3 2492 B10R0.2 CCCC(C)NC(=O)NNC 273464a_100000741246_100016993582 [0,1,0,0,0,0|3,0,0]=4 2493 B10R0.2 CCCC(C)NC(=O)NNC 512a_100000741246_100016993582 [0,1,0,0,0,0|3,0,0]=4 2494 B10R0.2 CCCC(C)NC(=O)NNC 512a_100016993582_100000741246 [0,1,0,0,0,0|3,0,0]=4 2495 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000741943_100000210303 [0,1,0,0,0,0|2,0,0]=3 2496 B10R0.2 CCCN(C)CC(=O)NCC 2230a_100000747261_100000183381 [0,1,0,0,0,0|2,0,0]=3 2497 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000741943_100000210303 [0,1,0,0,0,0|2,0,0]=3 2498 B10R0.2 CCCN(C)CC(=O)NCC 269982a_100000747261_100000183381 [0,1,0,0,0,0|2,0,0]=3 2499 B10R0.2 CCCN(C)CC(=O)NCO 2230a_100000747261_100000185155 [0,1,0,0,0,0|3,0,0]=4 2500 B10R0.2 CCCN(C)CC(=O)NCO 269982a_100000747261_100000185155 [0,1,0,0,0,0|3,0,0]=4 2501 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000220588_100000210303 [0,1,0,0,0,0|1,0,0]=2 2502 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000221057_200000210301 [0,1,0,0,0,0|1,0,0]=2 2503 B10R0.2 CCCN(C)CC(=O)OCC 2230a_100000747261_100000188475 [0,1,0,0,0,0|1,0,0]=2 2504 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000221057_200000210301 [0,1,0,0,0,0|1,0,0]=2 2505 B10R0.2 CCCN(C)CC(=O)OCC 269982a_100000747261_100000188475 [0,1,0,0,0,0|1,0,0]=2 2506 B10R0.2 CCCN([13CH3])CC(=O)OCC 2230a_100000221057_200025704644 [0,1,0,0,0,0|1,0,0]=2 2507 B10R0.2 CCCN([13CH3])CC(=O)OCC 269982a_100000221057_200025704644 [0,1,0,0,0,0|1,0,0]=2 2508 B10R0.2 CCCS(=O)CC(=O)CCF 1458a_100011387404_100011217306 [0,1,0,0,0,0|3,0,0]=4 2509 B10R0.2 CCCS(=O)CC(=O)CCO 1458a_100011387404_100000211926 [0,1,0,0,0,0|3,0,0]=4 2510 B10R0.2 CCCS(=O)CC(=O)NCC 11a_100015525214_100011387404 [0,1,0,0,0,0|2,0,0]=3 2511 B10R0.2 CCCS(=O)CC(=O)NCC 240690a_100015525214_100011387404 [0,1,0,0,0,0|2,0,0]=3 2512 B10R0.2 CCCS(=O)CC(=O)NCC 527a_100015525214_100011387404 [0,1,0,0,0,0|2,0,0]=3 2513 B10R0.2 CCCS(=O)CC(=O)NNC 22a_100016993582_100011387404 [0,1,0,0,0,0|3,0,0]=4 2514 B10R0.2 CCNC(=O)CC(=O)CCO 1458a_100011216618_100000183381 [0,1,0,0,0,0|2,0,1]=4 2515 B10R0.2 CCNC(=O)CC(=O)COC 1458a_100000210968_100000183381 [0,1,0,0,0,0|2,0,1]=4 2516 B10R0.2 CCNC(=O)CC(=O)CSC 1458a_100000184570_100000183381 [0,1,0,0,0,0|2,0,1]=4 2517 B10R0.2 CCNC(=O)CC(=O)OCC 240690a_100015525214_100000243816 [0,1,0,0,0,0|1,0,1]=3 2518 B10R0.2 CCNC(=O)CC(C)SCC 11a_100015525214_200011311441 [0,1,0,0,0,0|2,0,0]=3 2519 B10R0.2 CCNC(=O)CC(C)SCC 240690a_100015525214_200011311441 [0,1,0,0,0,0|2,0,0]=3 2520 B10R0.2 CCNC(=O)CC(C)SCC 527a_100015525214_200011311441 [0,1,0,0,0,0|2,0,0]=3 2521 B10R0.2 CCNC(=O)CN(C)CCF 2230a_100000741943_100011217306 [0,1,0,0,0,0|3,0,0]=4 2522 B10R0.2 CCNC(=O)CN(C)CCF 269982a_100000741943_100011217306 [0,1,0,0,0,0|3,0,0]=4 2523 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000210263_100000183381 [0,1,0,0,0,0|3,0,0]=4 2524 B10R0.2 CCNC(=O)CN(C)CCO 2230a_100000741943_100000211926 [0,1,0,0,0,0|3,0,0]=4 2525 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000210263_100000183381 [0,1,0,0,0,0|3,0,0]=4 2526 B10R0.2 CCNC(=O)CN(C)CCO 269982a_100000741943_100000211926 [0,1,0,0,0,0|3,0,0]=4 2527 B10R0.2 CCNC(=O)CN(C)COC 2230a_100000741943_100000766300 [0,1,0,0,0,0|3,0,0]=4 2528 B10R0.2 CCNC(=O)CN(C)COC 269982a_100000741943_100000766300 [0,1,0,0,0,0|3,0,0]=4 2529 B10R0.2 CCNC(=O)CN(C)CSC 2230a_100000741943_100011218213 [0,1,0,0,0,0|3,0,0]=4 2530 B10R0.2 CCNC(=O)CN(C)CSC 269982a_100000741943_100011218213 [0,1,0,0,0,0|3,0,0]=4 2531 B10R0.2 CCNC(=O)N[C@H](C)CCO 2708a_100015525214_100000706166 [0,1,0,0,0,0|3,0,0]=4 2532 B10R0.2 CCNC(=O)N[C@H](C)CCO 273464a_100000706166_100015525214 [0,1,0,0,0,0|3,0,0]=4 2533 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100000706166_100015525214 [0,1,0,0,0,0|3,0,0]=4 2534 B10R0.2 CCNC(=O)N[C@H](C)CCO 512a_100015525214_100000706166 [0,1,0,0,0,0|3,0,0]=4 2535 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100000764878_100015525214 [0,1,0,0,0,0|3,0,0]=4 2536 B10R0.2 CCNC(=O)N[C@H](C)COC 2708a_100015525214_100000764878 [0,1,0,0,0,0|3,0,0]=4 2537 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100000764878_100015525214 [0,1,0,0,0,0|3,0,0]=4 2538 B10R0.2 CCNC(=O)N[C@H](C)COC 273464a_100015525214_100000764878 [0,1,0,0,0,0|3,0,0]=4 2539 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100000764878_100015525214 [0,1,0,0,0,0|3,0,0]=4 2540 B10R0.2 CCNC(=O)N[C@H](C)COC 512a_100015525214_100000764878 [0,1,0,0,0,0|3,0,0]=4 2541 B10R0.2 CCNC(C)CC(=O)OCC 2230a_100015525214_100009817359 [0,1,0,0,0,0|1,0,0]=2 2542 B10R0.2 CCOC(=O)C=C(C)CNC 2230a_106832991635_100135422193 [0,1,0,0,0,0|1,0,2]=4 2543 B10R0.2 CCOC(=O)C=C(C)CNC 34a_100102657272_100135422193 [0,1,0,0,0,0|1,0,2]=4 2544 B10R0.2 CCOC(=O)C=C(C)CNC 7a_106832991635_100135422193 [0,1,0,0,0,0|1,0,2]=4 2545 B10R0.2 CCOC(=O)C=C(C)COC 34a_100138415774_100135422193 [0,1,0,0,0,0|1,0,2]=4 2546 B10R0.2 CCOC(=O)C=C(C)CSC 62a_100135422193_200000210301 [0,1,0,0,0,0|1,0,2]=4 2547 B10R0.2 CCOC(=O)C=C(C)CSC 62a_200000210301_100135422193 [0,1,0,0,0,0|1,0,2]=4 2548 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_100135422193_200025704644 [0,1,0,0,0,0|1,0,2]=4 2549 B10R0.2 CCOC(=O)C=C(C)CS[13CH3] 62a_200025704644_100135422193 [0,1,0,0,0,0|1,0,2]=4 2550 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100000243816_100011214920 [0,1,0,0,0,0|1,0,2]=4 2551 B10R0.2 CCOC(=O)CC(=O)CC#N 1458a_100051588842_100000188475 [0,1,0,0,0,0|1,0,2]=4 2552 B10R0.2 CCOC(=O)CC(=O)CCF 1458a_100000243816_100011217306 [0,1,0,0,0,0|1,0,1]=3 2553 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100000243816_100000211926 [0,1,0,0,0,0|1,0,1]=3 2554 B10R0.2 CCOC(=O)CC(=O)CCO 1458a_100011216618_100000188475 [0,1,0,0,0,0|1,0,1]=3 2555 B10R0.2 CCOC(=O)CC(=O)COC 1458a_100000210968_100000188475 [0,1,0,0,0,0|1,0,1]=3 2556 B10R0.2 CCOC(=O)CC(=O)CSC 1458a_100000184570_100000188475 [0,1,0,0,0,0|1,0,1]=3 2557 B10R0.2 CCOC(=O)CC(=O)CSC 62a_100000210311_200000210301 [0,1,0,0,0,0|1,0,1]=3 2558 B10R0.2 CCOC(=O)CC(=O)CSC 62a_200000210301_100000210311 [0,1,0,0,0,0|1,0,1]=3 2559 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_100000210311_200025704644 [0,1,0,0,0,0|1,0,1]=3 2560 B10R0.2 CCOC(=O)CC(=O)CS[13CH3] 62a_200025704644_100000210311 [0,1,0,0,0,0|1,0,1]=3 2561 B10R0.2 CCOC(=O)CC(=O)NNC 22a_100016993582_100000243816 [0,1,0,0,0,0|2,0,1]=4 2562 B10R0.2 CCOC(=O)CC(C)SCC 62a_100000210202_100009817359 [0,1,0,0,0,0|1,0,0]=2 2563 B10R0.2 CCOC(=O)CC(C)SCC 62a_100009817359_100000210202 [0,1,0,0,0,0|1,0,0]=2 2564 B10R0.2 CCOC(=O)CC(C)SCF 62a_100009817359_100015361967 [0,1,0,0,0,0|2,0,0]=3 2565 B10R0.2 CCOC(=O)CC(C)SCF 62a_100015361967_100009817359 [0,1,0,0,0,0|2,0,0]=3 2566 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000220588_100011215382 [0,1,0,0,0,0|2,0,1]=4 2567 B10R0.2 CCOC(=O)CN(C)CC#N 2230a_100000748184_100000188475 [0,1,0,0,0,0|2,0,1]=4 2568 B10R0.2 CCOC(=O)CN(C)CC=O 2230a_100000220588_200015260668 [0,1,0,0,0,0|2,0,1]=4 2569 B10R0.2 CCOC(=O)CN(C)CCF 2230a_100000220588_100011217306 [0,1,0,0,0,0|2,0,0]=3 2570 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000210263_100000188475 [0,1,0,0,0,0|2,0,0]=3 2571 B10R0.2 CCOC(=O)CN(C)CCO 2230a_100000220588_100000211926 [0,1,0,0,0,0|2,0,0]=3 2572 B10R0.2 CCOC(=O)CN(C)CCO 269982a_100000210263_100000188475 [0,1,0,0,0,0|2,0,0]=3 2573 B10R0.2 CCOC(=O)CN(C)COC 2230a_100000220588_100000766300 [0,1,0,0,0,0|2,0,0]=3 2574 B10R0.2 CCOC(=O)CN(C)CSC 2230a_100000220588_100011218213 [0,1,0,0,0,0|2,0,0]=3 2575 B10R0.2 CCOC(=O)C[C@@H](C)OCC 7a_100009816390_100000210202 [0,1,0,0,0,0|1,0,0]=2 2576 B10R0.2 CCOC(=O)C[C@@H](C)OCF 7a_100009816390_100015361967 [0,1,0,0,0,0|2,0,0]=3 2577 B10R0.2 CCOC(=O)C[C@H](O)CNC 34a_100102657272_100000688340 [0,1,0,0,0,0|1,0,0]=2 2578 B10R0.2 CCOC(=O)C[C@H](O)CNC 7a_106832991635_100000688340 [0,1,0,0,0,0|1,0,0]=2 2579 B10R0.2 CCOC(=O)C[C@H](O)COC 34a_100138415774_100000688340 [0,1,0,0,0,0|1,0,0]=2 2580 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_100000688340_200000210301 [0,1,0,0,0,0|1,0,0]=2 2581 B10R0.2 CCOC(=O)C[C@H](O)CSC 62a_200000210301_100000688340 [0,1,0,0,0,0|1,0,0]=2 2582 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_100000688340_200025704644 [0,1,0,0,0,0|1,0,0]=2 2583 B10R0.2 CCOC(=O)C[C@H](O)CS[13CH3] 62a_200025704644_100000688340 [0,1,0,0,0,0|1,0,0]=2 2584 B10R0.2 CCOC(=O)NC(=O)CNC 7a_106832991635_100000010344 [0,1,0,0,0,0|2,0,1]=4 2585 B10R0.2 CCOC(=O)NC(=O)CSC 62a_200000210301_100000010344 [0,1,0,0,0,0|2,0,1]=4 2586 B10R0.2 CCOC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000010344 [0,1,0,0,0,0|2,0,1]=4 2587 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000036008_100000210202 [0,1,0,0,0,0|2,0,0]=3 2588 B10R0.2 CCOC(=O)OC(C)SCC 62a_100000210202_100000036008 [0,1,0,0,0,0|2,0,0]=3 2589 B10R0.2 CCOC(=O)OC(C)SCF 62a_100000036008_100015361967 [0,1,0,0,0,0|3,0,0]=4 2590 B10R0.2 CCOC(=O)OC(C)SCF 62a_100015361967_100000036008 [0,1,0,0,0,0|3,0,0]=4 2591 B10R0.2 CCSC(C)CC(=O)CCF 1458a_200011311441_100011217306 [0,1,0,0,0,0|3,0,0]=4 2592 B10R0.2 CCSC(C)CC(=O)CCO 1458a_200011311441_100000211926 [0,1,0,0,0,0|3,0,0]=4 2593 B10R0.2 CCSC(C)CC(=O)NNC 22a_100016993582_200011311441 [0,1,0,0,0,0|3,0,0]=4 2594 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011216857_100000184674 [0,1,0,0,0,0|1,0,2]=4 2595 B10R0.3 C#CCC(=O)CCCC(C)C 1458a_100011220946_100011214892 [0,1,0,0,0,0|1,0,2]=4 2596 B10R0.3 C#CCC(=O)CCCC(C)O 1458a_100011220946_200000718107 [0,1,0,0,0,0|1,0,2]=4 2597 B10R0.3 C=C(C)CNCC(=O)NCC 2230a_100016988866_100000748629 [0,1,0,0,0,0|2,0,1]=4 2598 B10R0.3 C=C(C)COCC(=O)NCC 34a_100000210245_100000183381 [0,1,0,0,0,0|2,0,1]=4 2599 B10R0.3 C=C(C)COCC(=O)OCC 34a_100000210245_100000188475 [0,1,0,0,0,0|1,0,1]=3 2600 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000747444_100000211660 [0,1,0,0,0,0|2,0,1]=4 2601 B10R0.3 C=C(C)CSCC(=O)CCC 62a_100000748629_100000747444 [0,1,0,0,0,0|2,0,1]=4 2602 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000183381_100000211660 [0,1,0,0,0,0|2,0,1]=4 2603 B10R0.3 C=C(C)CSCC(=O)NCC 62a_100000748629_100000183381 [0,1,0,0,0,0|2,0,1]=4 2604 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000188475_100000211660 [0,1,0,0,0,0|1,0,1]=3 2605 B10R0.3 C=C(C)CSCC(=O)OCC 62a_100000748629_100000188475 [0,1,0,0,0,0|1,0,1]=3 2606 B10R0.3 C=C(F)COCC(=O)OCC 34a_200010262243_100000188475 [0,1,0,0,0,0|1,0,2]=4 2607 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000042424_100000188475 [0,1,0,0,0,0|1,0,2]=4 2608 B10R0.3 C=C(F)CSCC(=O)OCC 62a_100000188475_100000042424 [0,1,0,0,0,0|1,0,2]=4 2609 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100000210193_100011214892 [0,1,0,0,0,0|1,0,2]=4 2610 B10R0.3 C=CCC(=O)CCCC(C)C 1458a_100011216857_100000210623 [0,1,0,0,0,0|1,0,2]=4 2611 B10R0.3 C=CCC(=O)CCCC(C)O 1458a_100000210193_200000718107 [0,1,0,0,0,0|1,0,2]=4 2612 B10R0.3 C=COC(=O)CNCC(C)C 2230a_100000210953_100000036128 [0,1,0,0,0,0|1,0,2]=4 2613 B10R0.3 C=COC(=O)CNCC(C)C 34a_100000210953_100000036128 [0,1,0,0,0,0|1,0,2]=4 2614 B10R0.3 C=COC(=O)CNCC(C)O 2230a_100000210904_100000036128 [0,1,0,0,0,0|1,0,2]=4 2615 B10R0.3 C=COC(=O)CNCC(C)O 34a_100000210904_100000036128 [0,1,0,0,0,0|1,0,2]=4 2616 B10R0.3 C=COC(=O)COCC(C)Br 34a_100012180447_100000036128 [0,1,0,0,0,0|1,0,2]=4 2617 B10R0.3 C=COC(=O)COCC(C)C 34a_100000210257_100000036128 [0,1,0,0,0,0|1,0,2]=4 2618 B10R0.3 C=COC(=O)COCC(C)F 34a_100015925927_100000036128 [0,1,0,0,0,0|1,0,2]=4 2619 B10R0.3 C=COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000036128 [0,1,0,0,0,0|1,0,2]=4 2620 B10R0.3 C=COC(=O)COC[C@@H](C)N 34a_100000737577_100000036128 [0,1,0,0,0,0|1,0,2]=4 2621 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000036128_100000210760 [0,1,0,0,0,0|1,0,2]=4 2622 B10R0.3 C=COC(=O)CSCC(C)C 62a_100000210624_100000036128 [0,1,0,0,0,0|1,0,2]=4 2623 B10R0.3 C=COC(=O)CSCC(C)O 62a_100000036128_100011218427 [0,1,0,0,0,0|1,0,2]=4 2624 B10R0.3 C=COC(=O)CSCC(C)O 62a_100011218427_100000036128 [0,1,0,0,0,0|1,0,2]=4 2625 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100000036128_100009817552 [0,1,0,0,0,0|1,0,2]=4 2626 B10R0.3 C=COC(=O)CSC[C@@H](C)O 62a_100009817552_100000036128 [0,1,0,0,0,0|1,0,2]=4 2627 B10R0.3 CC#CC(=O)CCCC(=O)C 1458a_100000763181_100011215641 [0,1,0,0,0,0|1,0,2]=4 2628 B10R0.3 CC#CC(=O)CCCC(C)C 1458a_100000763181_100011214892 [0,1,0,0,0,0|1,0,1]=3 2629 B10R0.3 CC#CC(=O)CCCC(C)O 1458a_100000763181_200000718107 [0,1,0,0,0,0|1,0,1]=3 2630 B10R0.3 CC#CC(=O)CCCN(C)C 1458a_100000763181_100000695564 [0,1,0,0,0,0|2,0,1]=4 2631 B10R0.3 CC#CC(=O)CCOC(C)C 1458a_100000763181_100000211751 [0,1,0,0,0,0|2,0,1]=4 2632 B10R0.3 CC#CC(=O)CCSC(C)C 1458a_100000763181_100000730970 [0,1,0,0,0,0|2,0,1]=4 2633 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,1,0,0,0,0|2,0,1]=4 2634 B10R0.3 CC(Br)COCC(=O)NCO 34a_100012180447_100000185155 [0,1,0,0,0,0|3,0,0]=4 2635 B10R0.3 CC(C)CCCC(=O)C=CBr 1458a_100016273825_100011214892 [0,1,0,0,0,0|2,0,1]=4 2636 B10R0.3 CC(C)CCCC(=O)C=CCl 1458a_200016279998_100011214892 [0,1,0,0,0,0|2,0,1]=4 2637 B10R0.3 CC(C)CCCC(=O)C=CI 1458a_100016256311_100011214892 [0,1,0,0,0,0|2,0,1]=4 2638 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100011216857_100011214920 [0,1,0,0,0,0|2,0,1]=4 2639 B10R0.3 CC(C)CCCC(=O)CC#N 1458a_100051588842_100011214892 [0,1,0,0,0,0|2,0,1]=4 2640 B10R0.3 CC(C)CCCC(=O)CCF 1458a_100011216857_100011217306 [0,1,0,0,0,0|2,0,0]=3 2641 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,1,0,0,0,0|2,0,0]=3 2642 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,1,0,0,0,0|2,0,0]=3 2643 B10R0.3 CC(C)CCCC(C)OCF 34a_200011218570_100015361967 [0,1,0,0,0,0|2,0,1]=4 2644 B10R0.3 CC(C)CCCC(C)OCF 7a_200011218570_100015361967 [0,1,0,0,0,0|2,0,1]=4 2645 B10R0.3 CC(C)CCNC(=O)CCO 240690a_100000210545_100011216618 [0,1,0,0,0,0|3,0,0]=4 2646 B10R0.3 CC(C)CNCC(=O)NCO 2230a_100000210953_100000185155 [0,1,0,0,0,0|3,0,0]=4 2647 B10R0.3 CC(C)CNCC(=O)NCO 34a_100000210953_100000185155 [0,1,0,0,0,0|3,0,0]=4 2648 B10R0.3 CC(C)COCC(=O)CCF 1458a_100011223364_100011217306 [0,1,0,0,0,0|3,0,0]=4 2649 B10R0.3 CC(C)COCC(=O)CCO 1458a_100011223364_100000211926 [0,1,0,0,0,0|3,0,0]=4 2650 B10R0.3 CC(C)COCC(=O)NCO 34a_100000210257_100000185155 [0,1,0,0,0,0|3,0,0]=4 2651 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000185155_100000210760 [0,1,0,0,0,0|3,0,0]=4 2652 B10R0.3 CC(C)CSCC(=O)NCO 62a_100000210624_100000185155 [0,1,0,0,0,0|3,0,0]=4 2653 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,1,0,0,0,0|3,0,0]=4 2654 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,1,0,0,0,0|3,0,0]=4 2655 B10R0.3 CC(F)COCC(=O)NCO 34a_100015925927_100000185155 [0,1,0,0,0,0|3,0,0]=4 2656 B10R0.3 CC(O)CCCC(=O)C=CBr 1458a_100016273825_200000718107 [0,1,0,0,0,0|2,0,1]=4 2657 B10R0.3 CC(O)CCCC(=O)C=CCl 1458a_200016279998_200000718107 [0,1,0,0,0,0|2,0,1]=4 2658 B10R0.3 CC(O)CCCC(=O)C=CI 1458a_100016256311_200000718107 [0,1,0,0,0,0|2,0,1]=4 2659 B10R0.3 CC(O)CCCC(=O)CC#N 1458a_100051588842_200000718107 [0,1,0,0,0,0|2,0,1]=4 2660 B10R0.3 CC(O)CCCC(=O)CCO 1458a_100011216618_200000718107 [0,1,0,0,0,0|2,0,0]=3 2661 B10R0.3 CC(O)CCNC(=O)CCO 240690a_200000755665_100011216618 [0,1,0,0,0,0|3,0,0]=4 2662 B10R0.3 CC(O)CNCC(=O)NCO 2230a_100000210904_100000185155 [0,1,0,0,0,0|3,0,0]=4 2663 B10R0.3 CC(O)CNCC(=O)NCO 34a_100000210904_100000185155 [0,1,0,0,0,0|3,0,0]=4 2664 B10R0.3 CC(O)CSCC(=O)NCO 62a_100000185155_100011218427 [0,1,0,0,0,0|3,0,0]=4 2665 B10R0.3 CC(O)CSCC(=O)NCO 62a_100011218427_100000185155 [0,1,0,0,0,0|3,0,0]=4 2666 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|1,0,2]=4 2667 B10R0.3 CC=CC(=O)CCCC(C)C 1458a_100000210699_100011214892 [0,1,0,0,0,0|1,0,1]=3 2668 B10R0.3 CC=CC(=O)CCCC(C)O 1458a_100000210699_200000718107 [0,1,0,0,0,0|1,0,1]=3 2669 B10R0.3 CC=CC(=O)CCCN(C)C 1458a_100000210699_100000695564 [0,1,0,0,0,0|2,0,1]=4 2670 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,1,0,0,0,0|2,0,1]=4 2671 B10R0.3 CC=CC(=O)CCSC(C)C 1458a_100000210699_100000730970 [0,1,0,0,0,0|2,0,1]=4 2672 B10R0.3 CC=CC(=O)NCCC(C)C 11a_100000210545_100000210699 [0,1,0,0,0,0|2,0,1]=4 2673 B10R0.3 CC=CC(=O)NCCC(C)C 1626a_100000210545_100000210699 [0,1,0,0,0,0|2,0,1]=4 2674 B10R0.3 CC=CC(=O)NCCC(C)C 240690a_100000210545_100000210699 [0,1,0,0,0,0|2,0,1]=4 2675 B10R0.3 CC=CC(=O)NCCC(C)O 240690a_200000755665_100000210699 [0,1,0,0,0,0|2,0,1]=4 2676 B10R0.3 CCCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210303 [0,1,0,0,0,0|1,0,2]=4 2677 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,1,0,0,0,0|1,0,2]=4 2678 B10R0.3 CCCC(=O)CCCC(=O)C 1458a_100000211992_100011215641 [0,1,0,0,0,0|1,0,1]=3 2679 B10R0.3 CCCC(=O)CCCC(=O)N 1458a_100000211992_100102525003 [0,1,0,0,0,0|2,0,1]=4 2680 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100000211992_100011214892 [0,1,0,0,0,0|1,0,0]=2 2681 B10R0.3 CCCC(=O)CCCC(C)C 1458a_100011216857_100000210303 [0,1,0,0,0,0|1,0,0]=2 2682 B10R0.3 CCCC(=O)CCCC(C)O 1458a_100000211992_200000718107 [0,1,0,0,0,0|1,0,0]=2 2683 B10R0.3 CCCC(=O)CCCN(C)C 1458a_100000211992_100000695564 [0,1,0,0,0,0|2,0,0]=3 2684 B10R0.3 CCCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210303 [0,1,0,0,0,0|3,0,0]=4 2685 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000183196_100000210303 [0,1,0,0,0,0|2,0,1]=4 2686 B10R0.3 CCCC(=O)CCNC(=O)C 1458a_100000211992_100000189650 [0,1,0,0,0,0|2,0,1]=4 2687 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|2,0,1]=4 2688 B10R0.3 CCCC(=O)CCOC(C)C 1458a_100000211992_100000211751 [0,1,0,0,0,0|2,0,0]=3 2689 B10R0.3 CCCC(=O)CCSC(=O)C 1458a_100000048949_100000210303 [0,1,0,0,0,0|2,0,1]=4 2690 B10R0.3 CCCC(=O)CCSC(C)C 1458a_100000211992_100000730970 [0,1,0,0,0,0|2,0,0]=3 2691 B10R0.3 CCCC(=O)CNCC(C)C 2230a_100000210953_100000747444 [0,1,0,0,0,0|2,0,0]=3 2692 B10R0.3 CCCC(=O)CNCC(C)O 2230a_100000210904_100000747444 [0,1,0,0,0,0|2,0,0]=3 2693 B10R0.3 CCCC(=O)COCC(C)C 1458a_100011223364_100000210303 [0,1,0,0,0,0|2,0,0]=3 2694 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000210624_100000747444 [0,1,0,0,0,0|2,0,0]=3 2695 B10R0.3 CCCC(=O)CSCC(C)C 62a_100000747444_100000210760 [0,1,0,0,0,0|2,0,0]=3 2696 B10R0.3 CCCC(=O)CSCC(C)O 62a_100000747444_100011218427 [0,1,0,0,0,0|2,0,0]=3 2697 B10R0.3 CCCC(=O)CSCC(C)O 62a_100011218427_100000747444 [0,1,0,0,0,0|2,0,0]=3 2698 B10R0.3 CCCC(=O)CSCC(F)F 62a_100000747444_100011934356 [0,1,0,0,0,0|3,0,0]=4 2699 B10R0.3 CCCC(=O)CSCC(F)F 62a_100011934356_100000747444 [0,1,0,0,0,0|3,0,0]=4 2700 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100000747444_100009817552 [0,1,0,0,0,0|2,0,0]=3 2701 B10R0.3 CCCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747444 [0,1,0,0,0,0|2,0,0]=3 2702 B10R0.3 CCCC(=O)NCCC(C)C 11a_100000210545_100000211992 [0,1,0,0,0,0|2,0,0]=3 2703 B10R0.3 CCCC(=O)NCCC(C)C 1626a_100000210545_100000211992 [0,1,0,0,0,0|2,0,0]=3 2704 B10R0.3 CCCC(=O)NCCC(C)C 240690a_100000210545_100000211992 [0,1,0,0,0,0|2,0,0]=3 2705 B10R0.3 CCCC(=O)NCCC(C)C 527a_100000210545_100000211992 [0,1,0,0,0,0|2,0,0]=3 2706 B10R0.3 CCCC(=O)NCCC(C)O 240690a_200000755665_100000211992 [0,1,0,0,0,0|2,0,0]=3 2707 B10R0.3 CCCC(=O)NCCC(C)O 527a_200000755665_100000211992 [0,1,0,0,0,0|2,0,0]=3 2708 B10R0.3 CCCC(=O)NCCN(C)C 240690a_100000210585_100000211992 [0,1,0,0,0,0|3,0,0]=4 2709 B10R0.3 CCCC(=O)NCCN(C)C 527a_100000210585_100000211992 [0,1,0,0,0,0|3,0,0]=4 2710 B10R0.3 CCCC(=O)NNCC(C)C 22a_100000696102_100000211992 [0,1,0,0,0,0|3,0,0]=4 2711 B10R0.3 CCCC(=O)NNCC(C)O 22a_200000730056_100000211992 [0,1,0,0,0,0|3,0,0]=4 2712 B10R0.3 CCCC(=O)OCNC(C)C 2230a_100138425928_100000034017 [0,1,0,0,0,0|3,0,0]=4 2713 B10R0.3 CCCC(=O)OCNC(C)C 34a_100138425928_100000034017 [0,1,0,0,0,0|3,0,0]=4 2714 B10R0.3 CCCC(=O)OCOC(C)C 34a_100000212225_100000034017 [0,1,0,0,0,0|3,0,0]=4 2715 B10R0.3 CCCC(=O)OCSC(C)C 62a_100000210206_100000034017 [0,1,0,0,0,0|3,0,0]=4 2716 B10R0.3 CCCN(C)CCCC(C)C 2230a_100000747261_100011214892 [0,1,0,0,0,0|3,0,0]=4 2717 B10R0.3 CCCN(C)CCCC(C)C 269982a_100000747261_100011214892 [0,1,0,0,0,0|3,0,0]=4 2718 B10R0.3 CCCN(C)CCCC(C)O 2230a_100000747261_200000718107 [0,1,0,0,0,0|3,0,0]=4 2719 B10R0.3 CCCN(C)CCCC(C)O 269982a_100000747261_200000718107 [0,1,0,0,0,0|3,0,0]=4 2720 B10R0.3 CCNC(=O)C/C=C/C(C)C 11a_100015525214_100016292215 [0,1,0,0,0,0|1,0,2]=4 2721 B10R0.3 CCNC(=O)C/C=C/C(C)C 240690a_100015525214_100016292215 [0,1,0,0,0,0|1,0,2]=4 2722 B10R0.3 CCNC(=O)CCCC(=O)C 1458a_100000199580_200000210301 [0,1,0,0,0,0|1,0,1]=3 2723 B10R0.3 CCNC(=O)CCCC(=O)[13CH3] 1458a_100000199580_200025704644 [0,1,0,0,0,0|1,0,1]=3 2724 B10R0.3 CCNC(=O)CCCC(C)C 11a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 2725 B10R0.3 CCNC(=O)CCCC(C)C 240690a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 2726 B10R0.3 CCNC(=O)CCCC(C)C 527a_100015525214_100011216857 [0,1,0,0,0,0|1,0,0]=2 2727 B10R0.3 CCNC(=O)CCCC(C)O 527a_100015525214_100000761597 [0,1,0,0,0,0|1,0,0]=2 2728 B10R0.3 CCNC(=O)CCCN(C)C 11a_100015525214_100000740757 [0,1,0,0,0,0|2,0,0]=3 2729 B10R0.3 CCNC(=O)CCCN(C)C 240690a_100015525214_100000740757 [0,1,0,0,0,0|2,0,0]=3 2730 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 11a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 2731 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 240690a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 2732 B10R0.3 CCNC(=O)CCC[N+](=O)[O-] 527a_100015525214_100016109205 [0,1,0,0,0,0|3,0,0]=4 2733 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 2734 B10R0.3 CCNC(=O)CCNC(=O)C 11a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 2735 B10R0.3 CCNC(=O)CCNC(=O)C 1626a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 2736 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 2737 B10R0.3 CCNC(=O)CCNC(=O)C 240690a_100025743525_100015343762 [0,1,0,0,0,0|2,0,1]=4 2738 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100015525214_100000183196 [0,1,0,0,0,0|2,0,1]=4 2739 B10R0.3 CCNC(=O)CCNC(=O)C 527a_100025743525_100103153847 [0,1,0,0,0,0|2,0,1]=4 2740 B10R0.3 CCNC(=O)CCNC(C)C 2230a_100138425928_100000737597 [0,1,0,0,0,0|2,0,0]=3 2741 B10R0.3 CCNC(=O)CCNC(C)C 34a_100025743525_100000210206 [0,1,0,0,0,0|2,0,0]=3 2742 B10R0.3 CCNC(=O)CCSC(=O)C 240690a_100015525214_100000048949 [0,1,0,0,0,0|2,0,1]=4 2743 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000210206_100000737597 [0,1,0,0,0,0|2,0,0]=3 2744 B10R0.3 CCNC(=O)CCSC(C)C 62a_100000737597_100000210206 [0,1,0,0,0,0|2,0,0]=3 2745 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100000210953_100000183381 [0,1,0,0,0,0|2,0,0]=3 2746 B10R0.3 CCNC(=O)CNCC(C)C 2230a_100016988866_100000210760 [0,1,0,0,0,0|2,0,0]=3 2747 B10R0.3 CCNC(=O)CNCC(C)C 270004a_100016988866_100000210432 [0,1,0,0,0,0|2,0,0]=3 2748 B10R0.3 CCNC(=O)CNCC(C)C 34a_100000210953_100000183381 [0,1,0,0,0,0|2,0,0]=3 2749 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100000210904_100000183381 [0,1,0,0,0,0|2,0,0]=3 2750 B10R0.3 CCNC(=O)CNCC(C)O 2230a_100016988866_100011218427 [0,1,0,0,0,0|2,0,0]=3 2751 B10R0.3 CCNC(=O)CNCC(C)O 34a_100000210904_100000183381 [0,1,0,0,0,0|2,0,0]=3 2752 B10R0.3 CCNC(=O)CNCC(F)F 2230a_100016988866_100011934356 [0,1,0,0,0,0|3,0,0]=4 2753 B10R0.3 CCNC(=O)CNCC(F)F 34a_100000765723_100000183381 [0,1,0,0,0,0|3,0,0]=4 2754 B10R0.3 CCNC(=O)CNC[C@@H](C)O 2230a_100016988866_100009817552 [0,1,0,0,0,0|2,0,0]=3 2755 B10R0.3 CCNC(=O)COCC(=O)C 34a_100000211253_100000183381 [0,1,0,0,0,0|2,0,1]=4 2756 B10R0.3 CCNC(=O)COCC(C)Br 34a_100012180447_100000183381 [0,1,0,0,0,0|2,0,0]=3 2757 B10R0.3 CCNC(=O)COCC(C)C 11a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 2758 B10R0.3 CCNC(=O)COCC(C)C 240690a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 2759 B10R0.3 CCNC(=O)COCC(C)C 34a_100000210257_100000183381 [0,1,0,0,0,0|2,0,0]=3 2760 B10R0.3 CCNC(=O)COCC(C)C 527a_100015525214_100011223364 [0,1,0,0,0,0|2,0,0]=3 2761 B10R0.3 CCNC(=O)COCC(C)F 34a_100015925927_100000183381 [0,1,0,0,0,0|2,0,0]=3 2762 B10R0.3 CCNC(=O)COCC(F)F 34a_100000743014_100000183381 [0,1,0,0,0,0|3,0,0]=4 2763 B10R0.3 CCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183381 [0,1,0,0,0,0|2,0,0]=3 2764 B10R0.3 CCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183381 [0,1,0,0,0,0|2,0,0]=3 2765 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000183381_100000210760 [0,1,0,0,0,0|2,0,0]=3 2766 B10R0.3 CCNC(=O)CSCC(C)C 62a_100000210624_100000183381 [0,1,0,0,0,0|2,0,0]=3 2767 B10R0.3 CCNC(=O)CSCC(C)O 62a_100000183381_100011218427 [0,1,0,0,0,0|2,0,0]=3 2768 B10R0.3 CCNC(=O)CSCC(C)O 62a_100011218427_100000183381 [0,1,0,0,0,0|2,0,0]=3 2769 B10R0.3 CCNC(=O)CSCC(F)F 62a_100000183381_100011934356 [0,1,0,0,0,0|3,0,0]=4 2770 B10R0.3 CCNC(=O)CSCC(F)F 62a_100011934356_100000183381 [0,1,0,0,0,0|3,0,0]=4 2771 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100000183381_100009817552 [0,1,0,0,0,0|2,0,0]=3 2772 B10R0.3 CCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183381 [0,1,0,0,0,0|2,0,0]=3 2773 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100000210545_100015525214 [0,1,0,0,0,0|2,0,0]=3 2774 B10R0.3 CCNC(=O)NCCC(C)C 2708a_100015525214_100000210545 [0,1,0,0,0,0|2,0,0]=3 2775 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100000210545_100015525214 [0,1,0,0,0,0|2,0,0]=3 2776 B10R0.3 CCNC(=O)NCCC(C)C 273464a_100015525214_100000210545 [0,1,0,0,0,0|2,0,0]=3 2777 B10R0.3 CCNC(=O)NCCC(C)C 512a_100000210545_100015525214 [0,1,0,0,0,0|2,0,0]=3 2778 B10R0.3 CCNC(=O)NCCC(C)C 512a_100015525214_100000210545 [0,1,0,0,0,0|2,0,0]=3 2779 B10R0.3 CCNC(=O)NCCC(C)O 2708a_100015525214_200000755665 [0,1,0,0,0,0|2,0,0]=3 2780 B10R0.3 CCNC(=O)NCCC(C)O 273464a_200000755665_100015525214 [0,1,0,0,0,0|2,0,0]=3 2781 B10R0.3 CCNC(=O)NCCC(C)O 512a_100015525214_200000755665 [0,1,0,0,0,0|2,0,0]=3 2782 B10R0.3 CCNC(=O)NCCC(C)O 512a_200000755665_100015525214 [0,1,0,0,0,0|2,0,0]=3 2783 B10R0.3 CCNC(=O)NCCN(C)C 2708a_100015525214_100000210585 [0,1,0,0,0,0|3,0,0]=4 2784 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100000210585_100015525214 [0,1,0,0,0,0|3,0,0]=4 2785 B10R0.3 CCNC(=O)NCCN(C)C 273464a_100015525214_100000210585 [0,1,0,0,0,0|3,0,0]=4 2786 B10R0.3 CCNC(=O)NCCN(C)C 512a_100015525214_100000210585 [0,1,0,0,0,0|3,0,0]=4 2787 B10R0.3 CCNC(=O)NNCC(C)C 273464a_100015525214_100000696102 [0,1,0,0,0,0|3,0,0]=4 2788 B10R0.3 CCNC(=O)NNCC(C)C 512a_100000696102_100015525214 [0,1,0,0,0,0|3,0,0]=4 2789 B10R0.3 CCNC(=O)NNCC(C)C 512a_100015525214_100000696102 [0,1,0,0,0,0|3,0,0]=4 2790 B10R0.3 CCNC(=O)NNCC(C)O 512a_100015525214_200000730056 [0,1,0,0,0,0|3,0,0]=4 2791 B10R0.3 CCNC(=O)NNCC(C)O 512a_200000730056_100015525214 [0,1,0,0,0,0|3,0,0]=4 2792 B10R0.3 CCNC(C)CCCC(C)C 2230a_100000210607_100000210202 [0,1,0,0,0,0|2,0,1]=4 2793 B10R0.3 CCNC(C)CCCC(C)C 270004a_100015525214_100000753411 [0,1,0,0,0,0|2,0,1]=4 2794 B10R0.3 CCOC(=O)/C=C/CN(C)C 2230a_100102631434_100016267167 [0,1,0,0,0,0|1,0,2]=4 2795 B10R0.3 CCOC(=O)/C=C/CN(C)C 269982a_100102631434_100016267167 [0,1,0,0,0,0|1,0,2]=4 2796 B10R0.3 CCOC(=O)C=NNC(C)C 4a_100000741168_100000742314 [0,1,0,0,0,0|2,0,1]=4 2797 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000070787_100011215271 [0,1,0,0,0,0|0,0,1]=2 2798 B10R0.3 CCOC(=O)CCCC(=O)C 1458a_100000210991_200000210301 [0,1,0,0,0,0|0,0,1]=2 2799 B10R0.3 CCOC(=O)CCCC(=O)[13CH3] 1458a_100000210991_200025704644 [0,1,0,0,0,0|0,0,1]=2 2800 B10R0.3 CCOC(=O)CCCN(C)C 2230a_100102631434_100009991533 [0,1,0,0,0,0|1,0,0]=2 2801 B10R0.3 CCOC(=O)CCCN(C)C 269982a_100102631434_100009991533 [0,1,0,0,0,0|1,0,0]=2 2802 B10R0.3 CCOC(=O)CCNC(=O)C 188690a_100000746078_100015343762 [0,1,0,0,0,0|1,0,1]=3 2803 B10R0.3 CCOC(=O)CCNC(C)C 2230a_100138425928_100011206558 [0,1,0,0,0,0|1,0,0]=2 2804 B10R0.3 CCOC(=O)CCNC(C)C 34a_100138425928_100000765890 [0,1,0,0,0,0|1,0,0]=2 2805 B10R0.3 CCOC(=O)CCOC(C)C 34a_100000212225_100000765890 [0,1,0,0,0,0|1,0,0]=2 2806 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000210206_100000765890 [0,1,0,0,0,0|1,0,0]=2 2807 B10R0.3 CCOC(=O)CCSC(C)C 62a_100000765890_100000210206 [0,1,0,0,0,0|1,0,0]=2 2808 B10R0.3 CCOC(=O)CNCC(=O)N 2230a_100000711301_100000188475 [0,1,0,0,0,0|2,0,1]=4 2809 B10R0.3 CCOC(=O)CNCC(=O)O 269956a_100016091260_100000188475 [0,1,0,0,0,0|2,0,1]=4 2810 B10R0.3 CCOC(=O)CNCC(C)C 2230a_100000210953_100000188475 [0,1,0,0,0,0|1,0,0]=2 2811 B10R0.3 CCOC(=O)CNCC(C)C 34a_100000210953_100000188475 [0,1,0,0,0,0|1,0,0]=2 2812 B10R0.3 CCOC(=O)CNCC(C)O 2230a_100000210904_100000188475 [0,1,0,0,0,0|1,0,0]=2 2813 B10R0.3 CCOC(=O)CNCC(C)O 34a_100000210904_100000188475 [0,1,0,0,0,0|1,0,0]=2 2814 B10R0.3 CCOC(=O)CNCC(F)F 34a_100000765723_100000188475 [0,1,0,0,0,0|2,0,0]=3 2815 B10R0.3 CCOC(=O)COCC(=O)C 34a_100000211253_100000188475 [0,1,0,0,0,0|1,0,1]=3 2816 B10R0.3 CCOC(=O)COCC(C)Br 34a_100012180447_100000188475 [0,1,0,0,0,0|1,0,0]=2 2817 B10R0.3 CCOC(=O)COCC(C)C 34a_100000210257_100000188475 [0,1,0,0,0,0|1,0,0]=2 2818 B10R0.3 CCOC(=O)COCC(C)F 34a_100015925927_100000188475 [0,1,0,0,0,0|1,0,0]=2 2819 B10R0.3 CCOC(=O)COCC(F)F 34a_100000743014_100000188475 [0,1,0,0,0,0|2,0,0]=3 2820 B10R0.3 CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000188475 [0,1,0,0,0,0|1,0,0]=2 2821 B10R0.3 CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000188475 [0,1,0,0,0,0|1,0,0]=2 2822 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000188475_100000747473 [0,1,0,0,0,0|2,0,1]=4 2823 B10R0.3 CCOC(=O)CSCC(=O)N 62a_100000747473_100000188475 [0,1,0,0,0,0|2,0,1]=4 2824 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100000188475_100020667443 [0,1,0,0,0,0|2,0,1]=4 2825 B10R0.3 CCOC(=O)CSCC(=O)[O-] 62a_100020667443_100000188475 [0,1,0,0,0,0|2,0,1]=4 2826 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000188475_100000210760 [0,1,0,0,0,0|1,0,0]=2 2827 B10R0.3 CCOC(=O)CSCC(C)C 62a_100000210624_100000188475 [0,1,0,0,0,0|1,0,0]=2 2828 B10R0.3 CCOC(=O)CSCC(C)O 62a_100000188475_100011218427 [0,1,0,0,0,0|1,0,0]=2 2829 B10R0.3 CCOC(=O)CSCC(C)O 62a_100011218427_100000188475 [0,1,0,0,0,0|1,0,0]=2 2830 B10R0.3 CCOC(=O)CSCC(F)F 62a_100000188475_100011934356 [0,1,0,0,0,0|2,0,0]=3 2831 B10R0.3 CCOC(=O)CSCC(F)F 62a_100011934356_100000188475 [0,1,0,0,0,0|2,0,0]=3 2832 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100000188475_100009817552 [0,1,0,0,0,0|1,0,0]=2 2833 B10R0.3 CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000188475 [0,1,0,0,0,0|1,0,0]=2 2834 B10R0.3 CCOC(=O)CSC[N+](=O)[O-] 62a_100000188475_100000761209 [0,1,0,0,0,0|3,0,0]=4 2835 B10R0.3 CCOC(=O)NCCC(=O)C 1458a_100000070787_200011445536 [0,1,0,0,0,0|1,0,1]=3 2836 B10R0.3 CCOC(=O)NCCN(C)C 269982a_100102631434_200011445536 [0,1,0,0,0,0|2,0,0]=3 2837 B10R0.3 CCOC(=O)OCSC(C)C 62a_100000210206_100000075025 [0,1,0,0,0,0|2,0,0]=3 2838 B10R0.3 CCOC(C)CCCC(C)C 34a_200011218570_100000210202 [0,1,0,0,0,0|1,0,1]=3 2839 B10R0.3 CCOC(C)CCCC(C)C 7a_200011218570_100000210202 [0,1,0,0,0,0|1,0,1]=3 2840 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,1,0,0,0,0|3,0,0]=4 2841 B10R0.3 CNNC(=O)CCCC(C)C 22a_100016993582_100011216857 [0,1,0,0,0,0|2,0,0]=3 2842 B10R0.3 CNNC(=O)CCCC(C)O 22a_100016993582_100000761597 [0,1,0,0,0,0|2,0,0]=3 2843 B10R0.3 CNNC(=O)CCCN(C)C 22a_100016993582_100000740757 [0,1,0,0,0,0|3,0,0]=4 2844 B10R0.3 CNNC(=O)COCC(C)C 22a_100016993582_100011223364 [0,1,0,0,0,0|3,0,0]=4 2845 B10R0.3 CNNC(=O)NCCC(C)C 273464a_100000210545_100016993582 [0,1,0,0,0,0|3,0,0]=4 2846 B10R0.3 CNNC(=O)NCCC(C)C 512a_100000210545_100016993582 [0,1,0,0,0,0|3,0,0]=4 2847 B10R0.3 CNNC(=O)NCCC(C)C 512a_100016993582_100000210545 [0,1,0,0,0,0|3,0,0]=4 2848 B10R0.3 CNNC(=O)NCCC(C)O 273464a_200000755665_100016993582 [0,1,0,0,0,0|3,0,0]=4 2849 B10R0.3 CNNC(=O)NCCC(C)O 512a_100016993582_200000755665 [0,1,0,0,0,0|3,0,0]=4 2850 B10R0.3 CNNC(=O)NCCC(C)O 512a_200000755665_100016993582 [0,1,0,0,0,0|3,0,0]=4 2851 B10R0.3 COCC(=O)CCCC(=O)C 1458a_100000210968_100011215641 [0,1,0,0,0,0|2,0,1]=4 2852 B10R0.3 COCC(=O)CCCC(C)C 1458a_100000210968_100011214892 [0,1,0,0,0,0|2,0,0]=3 2853 B10R0.3 COCC(=O)CCCC(C)O 1458a_100000210968_200000718107 [0,1,0,0,0,0|2,0,0]=3 2854 B10R0.3 COCC(=O)CCCN(C)C 1458a_100000210968_100000695564 [0,1,0,0,0,0|3,0,0]=4 2855 B10R0.3 COCC(=O)CCOC(C)C 1458a_100000210968_100000211751 [0,1,0,0,0,0|3,0,0]=4 2856 B10R0.3 COCC(=O)CCSC(C)C 1458a_100000210968_100000730970 [0,1,0,0,0,0|3,0,0]=4 2857 B10R0.3 COCC(=O)NCCC(C)C 11a_100000210545_100000210968 [0,1,0,0,0,0|3,0,0]=4 2858 B10R0.3 COCC(=O)NCCC(C)C 1626a_100000210545_100000210968 [0,1,0,0,0,0|3,0,0]=4 2859 B10R0.3 COCC(=O)NCCC(C)C 240690a_100000210545_100000210968 [0,1,0,0,0,0|3,0,0]=4 2860 B10R0.3 COCC(=O)NCCC(C)C 527a_100000210545_100000210968 [0,1,0,0,0,0|3,0,0]=4 2861 B10R0.3 COCC(=O)NCCC(C)O 240690a_200000755665_100000210968 [0,1,0,0,0,0|3,0,0]=4 2862 B10R0.3 COCC(=O)NCCC(C)O 527a_200000755665_100000210968 [0,1,0,0,0,0|3,0,0]=4 2863 B10R0.3 CSCC(=O)CCCC(=O)C 1458a_100000184570_100011215641 [0,1,0,0,0,0|2,0,1]=4 2864 B10R0.3 CSCC(=O)CCCC(C)C 1458a_100000184570_100011214892 [0,1,0,0,0,0|2,0,0]=3 2865 B10R0.3 CSCC(=O)CCCC(C)O 1458a_100000184570_200000718107 [0,1,0,0,0,0|2,0,0]=3 2866 B10R0.3 CSCC(=O)CCCN(C)C 1458a_100000184570_100000695564 [0,1,0,0,0,0|3,0,0]=4 2867 B10R0.3 CSCC(=O)CCOC(C)C 1458a_100000184570_100000211751 [0,1,0,0,0,0|3,0,0]=4 2868 B10R0.3 CSCC(=O)CCSC(C)C 1458a_100000184570_100000730970 [0,1,0,0,0,0|3,0,0]=4 2869 B10R0.3 CSCC(=O)NCCC(C)C 11a_100000210545_100000184570 [0,1,0,0,0,0|3,0,0]=4 2870 B10R0.3 CSCC(=O)NCCC(C)C 1626a_100000210545_100000184570 [0,1,0,0,0,0|3,0,0]=4 2871 B10R0.3 CSCC(=O)NCCC(C)C 240690a_100000210545_100000184570 [0,1,0,0,0,0|3,0,0]=4 2872 B10R0.3 CSCC(=O)NCCC(C)C 527a_100000210545_100000184570 [0,1,0,0,0,0|3,0,0]=4 2873 B10R0.3 CSCC(=O)NCCC(C)O 240690a_200000755665_100000184570 [0,1,0,0,0,0|3,0,0]=4 2874 B10R0.3 CSCC(=O)NCCC(C)O 527a_200000755665_100000184570 [0,1,0,0,0,0|3,0,0]=4 2875 B10R0.3 C[C@@H](Cl)COCC(=O)NCO 34a_100016084084_100000185155 [0,1,0,0,0,0|3,0,0]=4 2876 B10R0.3 C[C@@H](N)COCC(=O)NCO 34a_100000737577_100000185155 [0,1,0,0,0,0|3,0,0]=4 2877 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100000185155_100009817552 [0,1,0,0,0,0|3,0,0]=4 2878 B10R0.3 C[C@@H](O)CSCC(=O)NCO 62a_100009817552_100000185155 [0,1,0,0,0,0|3,0,0]=4 2879 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000210554_100000731252 [0,1,0,0,0,0|1,0,2]=4 2880 B10R0.6 C#CCCCC(=O)CC(C)C 1458a_100000690238_100000210624 [0,1,0,0,0,0|1,0,2]=4 2881 B10R0.6 C#CCCCC(=O)CC(C)O 1458a_100000690238_100011218427 [0,1,0,0,0,0|1,0,2]=4 2882 B10R0.6 C#CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000731252 [0,1,0,0,0,0|1,0,2]=4 2883 B10R0.6 C#CCCCC(=O)NC(C)C 11a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 2884 B10R0.6 C#CCCCC(=O)NC(C)C 1626a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 2885 B10R0.6 C#CCCCC(=O)NC(C)C 240690a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 2886 B10R0.6 C#CCCCC(=O)NC(C)C 527a_100138425928_100000690238 [0,1,0,0,0,0|1,0,2]=4 2887 B10R0.6 C#CCNCC(=O)OC(C)C 34a_100000212058_100011215430 [0,1,0,0,0,0|1,0,2]=4 2888 B10R0.6 C#CCOCC(=O)OC(C)C 34a_100000210247_100011215430 [0,1,0,0,0,0|1,0,2]=4 2889 B10R0.6 C#CCSCC(=O)OC(C)C 62a_100000038162_100011215430 [0,1,0,0,0,0|1,0,2]=4 2890 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,0|1,0,1]=3 2891 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,1,0,0,0,0|2,0,1]=4 2892 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,1,0,0,0,0|2,0,1]=4 2893 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,1,0,0,0,0|2,0,1]=4 2894 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,1,0,0,0,0|2,0,1]=4 2895 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,1,0,0,0,0|2,0,1]=4 2896 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,1,0,0,0,0|2,0,1]=4 2897 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,1,0,0,0,0|2,0,1]=4 2898 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,1,0,0,0,0|1,0,2]=4 2899 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000210554_100000757094 [0,1,0,0,0,0|1,0,2]=4 2900 B10R0.6 C=CCCCC(=O)CC(C)C 1458a_100000766728_100000210624 [0,1,0,0,0,0|1,0,2]=4 2901 B10R0.6 C=CCCCC(=O)CC(C)O 1458a_100000766728_100011218427 [0,1,0,0,0,0|1,0,2]=4 2902 B10R0.6 C=CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757094 [0,1,0,0,0,0|1,0,2]=4 2903 B10R0.6 C=CCCCC(=O)NC(C)C 11a_100138425928_100000766728 [0,1,0,0,0,0|1,0,2]=4 2904 B10R0.6 C=CCCCC(=O)NC(C)C 1626a_100138425928_100000766728 [0,1,0,0,0,0|1,0,2]=4 2905 B10R0.6 C=CCCCC(=O)NC(C)C 240690a_100138425928_100000766728 [0,1,0,0,0,0|1,0,2]=4 2906 B10R0.6 C=CCCCC(=O)NC(C)C 527a_100138425928_100000766728 [0,1,0,0,0,0|1,0,2]=4 2907 B10R0.6 C=CCNCC(=O)OC(C)C 2230a_100020586998_100011215430 [0,1,0,0,0,0|1,0,2]=4 2908 B10R0.6 C=CCOCC(=O)OC(C)C 34a_200000210373_100011215430 [0,1,0,0,0,0|1,0,2]=4 2909 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100000210623_100011215430 [0,1,0,0,0,0|1,0,2]=4 2910 B10R0.6 C=CCSCC(=O)OC(C)C 62a_100011215430_100000210623 [0,1,0,0,0,0|1,0,2]=4 2911 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,1,0,0,0,0|2,0,1]=4 2912 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,1,0,0,0,0|2,0,1]=4 2913 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,1,0,0,0,0|2,0,1]=4 2914 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,1,0,0,0,0|2,0,1]=4 2915 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,1,0,0,0,0|2,0,1]=4 2916 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,1,0,0,0,0|2,0,1]=4 2917 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000075515_100000210624 [0,1,0,0,0,0|2,0,1]=4 2918 B10R0.6 CC(C)CC(=O)CCCC#N 1458a_100000210554_100000211468 [0,1,0,0,0,0|2,0,1]=4 2919 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,1,0,0,0,0|2,0,0]=3 2920 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,0|2,0,0]=3 2921 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,0|2,0,0]=3 2922 B10R0.6 CC(C)CC(=O)COCCO 1458a_100000708028_100000210624 [0,1,0,0,0,0|3,0,0]=4 2923 B10R0.6 CC(C)CC(=O)NCCCF 11a_100015189416_100000210554 [0,1,0,0,0,0|3,0,0]=4 2924 B10R0.6 CC(C)CC(=O)NCCCF 1626a_100015189416_100000210554 [0,1,0,0,0,0|3,0,0]=4 2925 B10R0.6 CC(C)CC(=O)NCCCF 240690a_100015189416_100000210554 [0,1,0,0,0,0|3,0,0]=4 2926 B10R0.6 CC(C)CC(=O)NCCCF 527a_100015189416_100000210554 [0,1,0,0,0,0|3,0,0]=4 2927 B10R0.6 CC(C)CC(=O)NCCCO 240690a_100000182051_100000210554 [0,1,0,0,0,0|3,0,0]=4 2928 B10R0.6 CC(C)CC(=O)NCCCO 527a_100000182051_100000210554 [0,1,0,0,0,0|3,0,0]=4 2929 B10R0.6 CC(C)NC(=O)CCCC#N 11a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 2930 B10R0.6 CC(C)NC(=O)CCCC#N 1626a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 2931 B10R0.6 CC(C)NC(=O)CCCC#N 240690a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 2932 B10R0.6 CC(C)NC(=O)CCCC#N 527a_100138425928_100000075515 [0,1,0,0,0,0|2,0,1]=4 2933 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,1,0,0,0,0|2,0,0]=3 2934 B10R0.6 CC(C)NC(=O)CCSCF 62a_100000737564_100015361967 [0,1,0,0,0,0|3,0,0]=4 2935 B10R0.6 CC(C)NC(=O)CCSCF 62a_100015361967_100000737564 [0,1,0,0,0,0|3,0,0]=4 2936 B10R0.6 CC(C)NC(=O)CNCCF 2230a_100000168517_100011217306 [0,1,0,0,0,0|3,0,0]=4 2937 B10R0.6 CC(C)NC(=O)CNCCF 34a_100000724931_100000183996 [0,1,0,0,0,0|3,0,0]=4 2938 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100000168517_100000211926 [0,1,0,0,0,0|3,0,0]=4 2939 B10R0.6 CC(C)NC(=O)CNCCO 2230a_100016997473_100000183996 [0,1,0,0,0,0|3,0,0]=4 2940 B10R0.6 CC(C)NC(=O)CNCCO 34a_100016990907_100000183996 [0,1,0,0,0,0|3,0,0]=4 2941 B10R0.6 CC(C)NC(=O)COCCBr 34a_100000211926_100000183996 [0,1,0,0,0,0|3,0,0]=4 2942 B10R0.6 CC(C)NC(=O)COCCN 34a_100000210304_100000183996 [0,1,0,0,0,0|3,0,0]=4 2943 B10R0.6 CC(C)NC(=O)COCCO 1626a_100138425928_100000708028 [0,1,0,0,0,0|3,0,0]=4 2944 B10R0.6 CC(C)NC(=O)COCCO 240690a_100138425928_100000708028 [0,1,0,0,0,0|3,0,0]=4 2945 B10R0.6 CC(C)NC(=O)CSCCF 62a_100000183996_100011217306 [0,1,0,0,0,0|3,0,0]=4 2946 B10R0.6 CC(C)NC(=O)CSCCF 62a_100011217306_100000183996 [0,1,0,0,0,0|3,0,0]=4 2947 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000183996_100000211926 [0,1,0,0,0,0|3,0,0]=4 2948 B10R0.6 CC(C)NC(=O)CSCCO 62a_100000211926_100000183996 [0,1,0,0,0,0|3,0,0]=4 2949 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100015189416_100138425928 [0,1,0,0,0,0|3,0,0]=4 2950 B10R0.6 CC(C)NC(=O)NCCCF 2708a_100138425928_100015189416 [0,1,0,0,0,0|3,0,0]=4 2951 B10R0.6 CC(C)NC(=O)NCCCF 273464a_100138425928_100015189416 [0,1,0,0,0,0|3,0,0]=4 2952 B10R0.6 CC(C)NC(=O)NCCCF 512a_100015189416_100138425928 [0,1,0,0,0,0|3,0,0]=4 2953 B10R0.6 CC(C)NC(=O)NCCCF 512a_100138425928_100015189416 [0,1,0,0,0,0|3,0,0]=4 2954 B10R0.6 CC(C)NC(=O)NCCCO 2708a_100138425928_100000182051 [0,1,0,0,0,0|3,0,0]=4 2955 B10R0.6 CC(C)NC(=O)NCCCO 273464a_100138425928_100000182051 [0,1,0,0,0,0|3,0,0]=4 2956 B10R0.6 CC(C)NC(=O)NCCCO 512a_100138425928_100000182051 [0,1,0,0,0,0|3,0,0]=4 2957 B10R0.6 CC(C)OC(=O)CCSCF 62a_100000760027_100015361967 [0,1,0,0,0,0|2,0,0]=3 2958 B10R0.6 CC(C)OC(=O)CCSCF 62a_100015361967_100000760027 [0,1,0,0,0,0|2,0,0]=3 2959 B10R0.6 CC(C)OC(=O)CNCCF 34a_100000724931_100011215430 [0,1,0,0,0,0|2,0,0]=3 2960 B10R0.6 CC(C)OC(=O)CNCCO 2230a_100016997473_100011215430 [0,1,0,0,0,0|2,0,0]=3 2961 B10R0.6 CC(C)OC(=O)CNCCO 34a_100016990907_100011215430 [0,1,0,0,0,0|2,0,0]=3 2962 B10R0.6 CC(C)OC(=O)COCCBr 34a_100000211926_100011215430 [0,1,0,0,0,0|2,0,0]=3 2963 B10R0.6 CC(C)OC(=O)COCCN 34a_100000210304_100011215430 [0,1,0,0,0,0|2,0,0]=3 2964 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215382_100011215430 [0,1,0,0,0,0|2,0,1]=4 2965 B10R0.6 CC(C)OC(=O)CSCC#N 62a_100011215430_100011215382 [0,1,0,0,0,0|2,0,1]=4 2966 B10R0.6 CC(C)OC(=O)CSCC=O 62a_100011215430_200015260668 [0,1,0,0,0,0|2,0,1]=4 2967 B10R0.6 CC(C)OC(=O)CSCC=O 62a_200015260668_100011215430 [0,1,0,0,0,0|2,0,1]=4 2968 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011215430_100011217306 [0,1,0,0,0,0|2,0,0]=3 2969 B10R0.6 CC(C)OC(=O)CSCCF 62a_100011217306_100011215430 [0,1,0,0,0,0|2,0,0]=3 2970 B10R0.6 CC(C)OC(=O)CSCCO 62a_100000211926_100011215430 [0,1,0,0,0,0|2,0,0]=3 2971 B10R0.6 CC(C)OC(=O)CSCCO 62a_100011215430_100000211926 [0,1,0,0,0,0|2,0,0]=3 2972 B10R0.6 CC(C)OC(=O)OCSCF 62a_100000003507_100015361967 [0,1,0,0,0,0|3,0,0]=4 2973 B10R0.6 CC(C)OC(=O)OCSCF 62a_100015361967_100000003507 [0,1,0,0,0,0|3,0,0]=4 2974 B10R0.6 CC(O)CC(=O)CCCC#N 1458a_100000075515_100011218427 [0,1,0,0,0,0|2,0,1]=4 2975 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,0|2,0,0]=3 2976 B10R0.6 CC(O)CC(=O)COCCO 1458a_100000708028_100011218427 [0,1,0,0,0,0|3,0,0]=4 2977 B10R0.6 CC/C=C/CC(=O)CC(C)C 1458a_100016274230_100000210624 [0,1,0,0,0,0|1,0,2]=4 2978 B10R0.6 CC/C=C/CC(=O)CC(C)O 1458a_100016274230_100011218427 [0,1,0,0,0,0|1,0,2]=4 2979 B10R0.6 CC/C=C/CC(=O)NC(C)C 11a_100138425928_100016274230 [0,1,0,0,0,0|1,0,2]=4 2980 B10R0.6 CC/C=C/CC(=O)NC(C)C 1626a_100138425928_100016274230 [0,1,0,0,0,0|1,0,2]=4 2981 B10R0.6 CC/C=C/CC(=O)NC(C)C 240690a_100138425928_100016274230 [0,1,0,0,0,0|1,0,2]=4 2982 B10R0.6 CC/C=C/CC(=O)NC(C)C 527a_100138425928_100016274230 [0,1,0,0,0,0|1,0,2]=4 2983 B10R0.6 CC/C=C\CC(=O)CC(C)C 1458a_100000210554_100103147603 [0,1,0,0,0,0|1,0,2]=4 2984 B10R0.6 CC/C=C\CC(=O)C[C@@H](C)O 1458a_100011933948_100103147603 [0,1,0,0,0,0|1,0,2]=4 2985 B10R0.6 CCC#CCC(=O)CC(C)C 1458a_100000210554_100009813939 [0,1,0,0,0,0|1,0,2]=4 2986 B10R0.6 CCC#CCC(=O)C[C@@H](C)O 1458a_100011933948_100009813939 [0,1,0,0,0,0|1,0,2]=4 2987 B10R0.6 CCCC#CC(=O)CC(C)C 1458a_200011218047_100000210624 [0,1,0,0,0,0|1,0,2]=4 2988 B10R0.6 CCCC#CC(=O)CC(C)O 1458a_200011218047_100011218427 [0,1,0,0,0,0|1,0,2]=4 2989 B10R0.6 CCCC#CC(=O)NC(C)C 240690a_100138425928_200011218047 [0,1,0,0,0,0|1,0,2]=4 2990 B10R0.6 CCCC=CC(=O)CC(C)C 1458a_100000212230_100000210624 [0,1,0,0,0,0|1,0,2]=4 2991 B10R0.6 CCCC=CC(=O)CC(C)O 1458a_100000212230_100011218427 [0,1,0,0,0,0|1,0,2]=4 2992 B10R0.6 CCCC=CC(=O)NC(C)C 11a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 2993 B10R0.6 CCCC=CC(=O)NC(C)C 1626a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 2994 B10R0.6 CCCC=CC(=O)NC(C)C 240690a_100138425928_100000212230 [0,1,0,0,0,0|1,0,2]=4 2995 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,1,0,0,0,0|1,0,1]=3 2996 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,1,0,0,0,0|1,0,1]=3 2997 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,1,0,0,0,0|1,0,1]=3 2998 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,1,0,0,0,0|2,0,1]=4 2999 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,0|1,0,1]=3 3000 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,0|2,0,1]=4 3001 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,0|2,0,1]=4 3002 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,0|2,0,1]=4 3003 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,0|1,0,0]=2 3004 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,0|1,0,0]=2 3005 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,0|1,0,0]=2 3006 B10R0.6 CCCCCC(=O)CC(F)F 1458a_100000212188_100011934356 [0,1,0,0,0,0|2,0,0]=3 3007 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,1,0,0,0,0|2,0,0]=3 3008 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,1,0,0,0,0|2,0,0]=3 3009 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,1,0,0,0,0|2,0,0]=3 3010 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,0|1,0,0]=2 3011 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,1,0,0,0,0|3,0,0]=4 3012 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,1,0,0,0,0|2,0,0]=3 3013 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,0|1,0,0]=2 3014 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,0|1,0,0]=2 3015 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,0|1,0,0]=2 3016 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,0|1,0,0]=2 3017 B10R0.6 CCCCCC(C)NC(C)C 2230a_100000211957_100000210206 [0,1,0,0,0,0|2,0,1]=4 3018 B10R0.6 CCCCCC(C)NC(C)C 2230a_100138425928_200011218191 [0,1,0,0,0,0|2,0,1]=4 3019 B10R0.6 CCCCCC(C)NC(C)C 34a_100138425928_200011218191 [0,1,0,0,0,0|2,0,1]=4 3020 B10R0.6 CCCCCC(C)OC(C)C 34a_100000212225_200011218191 [0,1,0,0,0,0|1,0,1]=3 3021 B10R0.6 CCCCCC(C)OC(C)C 34a_100011215632_100000210206 [0,1,0,0,0,0|1,0,1]=3 3022 B10R0.6 CCCCCC(C)OC(C)C 7a_100011215632_100000210206 [0,1,0,0,0,0|1,0,1]=3 3023 B10R0.6 CCCCCC(C)SC(C)C 62a_100000210206_200011218191 [0,1,0,0,0,0|1,1,1]=4 3024 B10R0.6 CCCCCC(C)SC(C)C 62a_200011218191_100000210206 [0,1,0,0,0,0|1,1,1]=4 3025 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000223495_100000210760 [0,1,0,0,0,0|3,0,0]=4 3026 B10R0.6 CCCCCN(C)CC(C)C 2230a_100000747067_100000210326 [0,1,0,0,0,0|3,0,0]=4 3027 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000223495_100000210624 [0,1,0,0,0,0|3,0,0]=4 3028 B10R0.6 CCCCCN(C)CC(C)C 269982a_100000747067_100000210215 [0,1,0,0,0,0|3,0,0]=4 3029 B10R0.6 CCCCCN(C)CC(C)C 270004a_100000223495_100000210432 [0,1,0,0,0,0|3,0,0]=4 3030 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000223495_100011218427 [0,1,0,0,0,0|3,0,0]=4 3031 B10R0.6 CCCCCN(C)CC(C)O 2230a_100000227577_100000210326 [0,1,0,0,0,0|3,0,0]=4 3032 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000223495_100011218427 [0,1,0,0,0,0|3,0,0]=4 3033 B10R0.6 CCCCCN(C)CC(C)O 269982a_100000227577_100000210215 [0,1,0,0,0,0|3,0,0]=4 3034 B10R0.6 CCCCCN(C)C[C@@H](C)O 2230a_100000223495_100009817552 [0,1,0,0,0,0|3,0,0]=4 3035 B10R0.6 CCCCCN(C)C[C@@H](C)O 269982a_100000223495_100009817552 [0,1,0,0,0,0|3,0,0]=4 3036 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,1,0,0,0,0|2,0,1]=4 3037 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,1,0,0,0,0|2,0,1]=4 3038 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,1,0,0,0,0|2,0,1]=4 3039 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,1,0,0,0,0|2,0,1]=4 3040 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,1,0,0,0,0|2,0,1]=4 3041 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,1,0,0,0,0|2,0,1]=4 3042 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,1,0,0,0,0|2,0,1]=4 3043 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,1,0,0,0,0|2,0,1]=4 3044 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,0|2,0,1]=4 3045 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,1,0,0,0,0|2,0,0]=3 3046 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,1,0,0,0,0|2,0,0]=3 3047 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,1,0,0,0,0|2,0,0]=3 3048 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,1,0,0,0,0|2,0,0]=3 3049 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,1,0,0,0,0|3,0,0]=4 3050 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,1,0,0,0,0|3,0,0]=4 3051 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,1,0,0,0,0|3,0,0]=4 3052 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,1,0,0,0,0|3,0,0]=4 3053 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,1,0,0,0,0|3,0,0]=4 3054 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,1,0,0,0,0|3,0,0]=4 3055 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,1,0,0,0,0|3,0,0]=4 3056 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,1,0,0,0,0|3,0,0]=4 3057 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,1,0,0,0,0|3,0,0]=4 3058 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,1,0,0,0,0|2,0,0]=3 3059 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,1,0,0,0,0|3,0,0]=4 3060 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,1,0,0,0,0|3,0,0]=4 3061 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,1,0,0,0,0|3,0,0]=4 3062 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,1,0,0,0,0|3,0,0]=4 3063 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,1,0,0,0,0|2,0,0]=3 3064 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,1,0,0,0,0|2,0,0]=3 3065 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,1,0,0,0,0|2,0,0]=3 3066 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,1,0,0,0,0|2,0,0]=3 3067 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,1,0,0,0,0|2,0,0]=3 3068 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,0|2,0,1]=4 3069 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,1,0,0,0,0|3,0,0]=4 3070 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,1,0,0,0,0|3,0,0]=4 3071 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,1,0,0,0,0|2,0,0]=3 3072 B10R0.6 CCCNNC(=O)CC(C)C 22a_100000740057_100000210554 [0,1,0,0,0,0|3,0,0]=4 3073 B10R0.6 CCCNNC(=O)C[C@@H](C)O 22a_100000740057_100011933948 [0,1,0,0,0,0|3,0,0]=4 3074 B10R0.6 CCCNNC(=O)NC(C)C 273464a_100138425928_100000740057 [0,1,0,0,0,0|3,0,0]=4 3075 B10R0.6 CCCNNC(=O)NC(C)C 512a_100000740057_100138425928 [0,1,0,0,0,0|3,0,0]=4 3076 B10R0.6 CCCNNC(=O)NC(C)C 512a_100138425928_100000740057 [0,1,0,0,0,0|3,0,0]=4 3077 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,1,0,0,0,0|2,0,0]=3 3078 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,0|2,0,0]=3 3079 B10R0.6 CCCOCC(=O)CC(F)F 1458a_100000745993_100011934356 [0,1,0,0,0,0|3,0,0]=4 3080 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,1,0,0,0,0|2,0,0]=3 3081 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,1,0,0,0,0|2,0,0]=3 3082 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,1,0,0,0,0|2,0,0]=3 3083 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,1,0,0,0,0|2,0,0]=3 3084 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,1,0,0,0,0|2,0,0]=3 3085 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,1,0,0,0,0|1,0,0]=2 3086 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,1,0,0,0,0|2,0,0]=3 3087 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,0|2,0,0]=3 3088 B10R0.6 CCCSCC(=O)CC(F)F 1458a_100000217233_100011934356 [0,1,0,0,0,0|3,0,0]=4 3089 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,0|2,0,1]=4 3090 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,1,0,0,0,0|2,0,0]=3 3091 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,1,0,0,0,0|2,0,0]=3 3092 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,1,0,0,0,0|2,0,0]=3 3093 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,1,0,0,0,0|2,0,0]=3 3094 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,1,0,0,0,0|2,0,0]=3 3095 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,1,0,0,0,0|2,0,0]=3 3096 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,1,0,0,0,0|1,0,0]=2 3097 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,1,0,0,0,0|1,0,0]=2 3098 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,1,0,0,0,0|2,0,0]=3 3099 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,1,0,0,0,0|1,0,0]=2 3100 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,1,0,0,0,0|2,0,1]=4 3101 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,1,0,0,0,0|2,0,1]=4 3102 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,1,0,0,0,0|2,0,1]=4 3103 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,1,0,0,0,0|2,0,0]=3 3104 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,1,0,0,0,0|2,0,0]=3 3105 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,0|2,0,0]=3 3106 B10R0.6 CCOCCC(=O)CC(F)F 1458a_100000749530_100011934356 [0,1,0,0,0,0|3,0,0]=4 3107 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,1,0,0,0,0|3,0,0]=4 3108 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,0|2,0,0]=3 3109 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,1,0,0,0,0|3,0,0]=4 3110 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,1,0,0,0,0|2,0,0]=3 3111 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,1,0,0,0,0|2,0,0]=3 3112 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,1,0,0,0,0|2,0,0]=3 3113 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,1,0,0,0,0|2,0,0]=3 3114 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,1,0,0,0,0|2,0,1]=4 3115 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,1,0,0,0,0|2,0,1]=4 3116 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,1,0,0,0,0|2,0,1]=4 3117 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,1,0,0,0,0|2,0,0]=3 3118 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,1,0,0,0,0|2,0,0]=3 3119 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,0|2,0,0]=3 3120 B10R0.6 CCSCCC(=O)CC(F)F 1458a_100000230768_100011934356 [0,1,0,0,0,0|3,0,0]=4 3121 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,1,0,0,0,0|3,0,0]=4 3122 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,0|2,0,0]=3 3123 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,1,0,0,0,0|3,0,0]=4 3124 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,1,0,0,0,0|2,0,0]=3 3125 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,1,0,0,0,0|2,0,0]=3 3126 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,1,0,0,0,0|2,0,0]=3 3127 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,1,0,0,0,0|2,0,0]=3 3128 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,1,0,0,0,0|2,0,0]=3 3129 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,1,0,0,0,0|2,0,0]=3 3130 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,1,0,0,0,0|1,0,0]=2 3131 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,1,0,0,0,0|1,0,0]=2 3132 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000003507_100000210202 [0,1,0,0,0,0|2,0,0]=3 3133 B10R0.6 CCSCOC(=O)OC(C)C 62a_100000210202_100000003507 [0,1,0,0,0,0|2,0,0]=3 3134 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,1,0,0,0,0|3,0,0]=4 3135 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,1,0,0,0,0|3,0,0]=4 3136 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,1,0,0,0,0|2,0,1]=4 3137 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,1,0,0,0,0|2,0,1]=4 3138 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,1,0,0,0,0|2,0,1]=4 3139 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,0|2,0,0]=3 3140 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,0|2,0,0]=3 3141 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,0|2,0,0]=3 3142 B10R0.6 COCCCC(=O)CC(F)F 1458a_100000741012_100011934356 [0,1,0,0,0,0|3,0,0]=4 3143 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,1,0,0,0,0|3,0,0]=4 3144 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,0|2,0,0]=3 3145 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,1,0,0,0,0|3,0,0]=4 3146 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,1,0,0,0,0|2,0,0]=3 3147 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,1,0,0,0,0|2,0,0]=3 3148 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,1,0,0,0,0|2,0,0]=3 3149 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,1,0,0,0,0|2,0,0]=3 3150 B10R0.6 COCCCC(C)OC(C)C 34a_200011539412_100000210206 [0,1,0,0,0,0|2,0,1]=4 3151 B10R0.6 COCCCC(C)OC(C)C 7a_200011539412_100000210206 [0,1,0,0,0,0|2,0,1]=4 3152 B10R0.6 COCCNC(=O)CC(C)C 1626a_100000209980_100000210554 [0,1,0,0,0,0|3,0,0]=4 3153 B10R0.6 COCCNC(=O)CC(C)C 240690a_100000209980_100000210554 [0,1,0,0,0,0|3,0,0]=4 3154 B10R0.6 COCCNC(=O)CC(C)C 527a_100000209980_100000210554 [0,1,0,0,0,0|3,0,0]=4 3155 B10R0.6 COCCNC(=O)C[C@@H](C)O 240690a_100000209980_100011933948 [0,1,0,0,0,0|3,0,0]=4 3156 B10R0.6 COCCNC(=O)NC(C)C 2708a_100138425928_100000209980 [0,1,0,0,0,0|3,0,0]=4 3157 B10R0.6 COCCNC(=O)NC(C)C 273464a_100138425928_100000209980 [0,1,0,0,0,0|3,0,0]=4 3158 B10R0.6 COCNCC(=O)NC(C)C 2230a_100000168517_100000766300 [0,1,0,0,0,0|3,0,0]=4 3159 B10R0.6 COCSCC(=O)NC(C)C 62a_100000183996_100000766300 [0,1,0,0,0,0|3,0,0]=4 3160 B10R0.6 COCSCC(=O)NC(C)C 62a_100000766300_100000183996 [0,1,0,0,0,0|3,0,0]=4 3161 B10R0.6 COCSCC(=O)OC(C)C 62a_100000766300_100011215430 [0,1,0,0,0,0|2,0,0]=3 3162 B10R0.6 COCSCC(=O)OC(C)C 62a_100011215430_100000766300 [0,1,0,0,0,0|2,0,0]=3 3163 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,1,0,0,0,0|2,0,0]=3 3164 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,0|2,0,0]=3 3165 B10R0.6 CSCCCC(=O)CC(F)F 1458a_100000173376_100011934356 [0,1,0,0,0,0|3,0,0]=4 3166 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,1,0,0,0,0|2,0,0]=3 3167 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,1,0,0,0,0|2,0,0]=3 3168 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,1,0,0,0,0|2,0,0]=3 3169 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,1,0,0,0,0|2,0,0]=3 3170 B10R0.6 CSCCNC(=O)CC(C)C 11a_100020590264_100000210554 [0,1,0,0,0,0|3,0,0]=4 3171 B10R0.6 CSCCNC(=O)CC(C)C 1626a_100020590264_100000210554 [0,1,0,0,0,0|3,0,0]=4 3172 B10R0.6 CSCCNC(=O)CC(C)C 240690a_100020590264_100000210554 [0,1,0,0,0,0|3,0,0]=4 3173 B10R0.6 CSCCNC(=O)CC(C)C 527a_100020590264_100000210554 [0,1,0,0,0,0|3,0,0]=4 3174 B10R0.6 CSCCNC(=O)C[C@@H](C)O 240690a_100020590264_100011933948 [0,1,0,0,0,0|3,0,0]=4 3175 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100020590264_100138425928 [0,1,0,0,0,0|3,0,0]=4 3176 B10R0.6 CSCCNC(=O)NC(C)C 2708a_100138425928_100020590264 [0,1,0,0,0,0|3,0,0]=4 3177 B10R0.6 CSCCNC(=O)NC(C)C 273464a_100138425928_100020590264 [0,1,0,0,0,0|3,0,0]=4 3178 B10R0.6 CSCCNC(=O)NC(C)C 512a_100020590264_100138425928 [0,1,0,0,0,0|3,0,0]=4 3179 B10R0.6 CSCCNC(=O)NC(C)C 512a_100138425928_100020590264 [0,1,0,0,0,0|3,0,0]=4 3180 B10R0.6 CSCNCC(=O)NC(C)C 2230a_100000168517_100011218213 [0,1,0,0,0,0|3,0,0]=4 3181 B10R0.6 CSCSCC(=O)NC(C)C 62a_100000183996_100011218213 [0,1,0,0,0,0|3,0,0]=4 3182 B10R0.6 CSCSCC(=O)NC(C)C 62a_100011218213_100000183996 [0,1,0,0,0,0|3,0,0]=4 3183 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011215430_100011218213 [0,1,0,0,0,0|2,0,0]=3 3184 B10R0.6 CSCSCC(=O)OC(C)C 62a_100011218213_100011215430 [0,1,0,0,0,0|2,0,0]=3 3185 B10R0.6 C[C@@H](O)CC(=O)CCCC#N 1458a_100011933948_100000211468 [0,1,0,0,0,0|2,0,1]=4 3186 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,0|2,0,0]=3 3187 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,0|2,0,0]=3 3188 B10R0.6 C[C@@H](O)CC(=O)NCCCF 240690a_100015189416_100011933948 [0,1,0,0,0,0|3,0,0]=4 3189 B10R0.6 C[C@@H](O)CC(=O)NCCCO 240690a_100000182051_100011933948 [0,1,0,0,0,0|3,0,0]=4 3190 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,1,0,0,0,0|3,0,0]=4 3191 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,1,0,0,0,0|3,0,0]=4 3192 B10R0.6 O=C(CCCCO)CC(F)F 1458a_100000695505_100011934356 [0,1,0,0,0,0|3,0,0]=4 3193 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,1,0,0,0,0|1,0,2]=4 3194 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,1,0,0,0,0|1,0,2]=4 3195 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,1,0,0,0,0|1,0,2]=4 3196 B10R0.19 C#CCNC(C)C(=O)OCC 34a_100000212058_100011216346 [0,1,0,0,0,0|1,0,2]=4 3197 B10R0.19 C#CCNC(F)C(=O)OCC 34a_100000212058_100000760018 [0,1,0,0,0,0|1,0,2]=4 3198 B10R0.19 C#CCOC(C)C(=O)OCC 34a_100000210247_100011216346 [0,1,0,0,0,0|1,0,2]=4 3199 B10R0.19 C#CCOC(F)C(=O)OCC 34a_100000210247_100000760018 [0,1,0,0,0,0|1,0,2]=4 3200 B10R0.19 C#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000038162 [0,1,0,0,0,0|1,0,2]=4 3201 B10R0.19 C#CCSC(C)C(=O)OCC 62a_100000038162_100011216346 [0,1,0,0,0,0|1,0,2]=4 3202 B10R0.19 C#CCSC(F)C(=O)OCC 62a_100000038162_100000760018 [0,1,0,0,0,0|1,0,2]=4 3203 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,1,0,0,0,0|1,0,1]=3 3204 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,1,0,0,0,0|1,0,1]=3 3205 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,1,0,0,0,0|1,0,1]=3 3206 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100000755967_100015361967 [0,1,0,0,0,0|2,0,1]=4 3207 B10R0.19 C=C(CSCF)C(=O)OCC 62a_100015361967_100000755967 [0,1,0,0,0,0|2,0,1]=4 3208 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,1,0,0,0,0|1,0,2]=4 3209 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,1,0,0,0,0|1,0,2]=4 3210 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,1,0,0,0,0|1,0,2]=4 3211 B10R0.19 C=CCNC(C)C(=O)OCC 2230a_100020586998_100011215307 [0,1,0,0,0,0|1,0,2]=4 3212 B10R0.19 C=CCNC(F)C(=O)OCC 2230a_100020586998_100000760018 [0,1,0,0,0,0|1,0,2]=4 3213 B10R0.19 C=CCOC(C)C(=O)OCC 34a_200000210373_100011216346 [0,1,0,0,0,0|1,0,2]=4 3214 B10R0.19 C=CCOC(F)C(=O)OCC 34a_200000210373_100000760018 [0,1,0,0,0,0|1,0,2]=4 3215 B10R0.19 C=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100015514636 [0,1,0,0,0,0|1,0,2]=4 3216 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100000210623_100011216346 [0,1,0,0,0,0|1,0,2]=4 3217 B10R0.19 C=CCSC(C)C(=O)OCC 62a_100011216346_100000210623 [0,1,0,0,0,0|1,0,2]=4 3218 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000210623_100000760018 [0,1,0,0,0,0|1,0,2]=4 3219 B10R0.19 C=CCSC(F)C(=O)OCC 62a_100000760018_100000210623 [0,1,0,0,0,0|1,0,2]=4 3220 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,1,0,0,0,0|1,0,1]=3 3221 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,1,0,0,0,0|2,0,1]=4 3222 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,1,0,0,0,0|1,0,1]=3 3223 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,1,0,0,0,0|2,0,1]=4 3224 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,1,0,0,0,0|2,0,1]=4 3225 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,1,0,0,0,0|2,0,1]=4 3226 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,1,0,0,0,0|1,0,2]=4 3227 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,1,0,0,0,0|1,0,2]=4 3228 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,1,0,0,0,0|1,0,2]=4 3229 B10R0.19 CCCC(=O)C(O)CCSC 1458a_100000685904_100000210303 [0,1,0,0,0,0|2,0,0]=3 3230 B10R0.19 CCCC(=O)N(C)CCCO 240690a_100000213112_100000211992 [0,1,0,0,0,0|3,0,0]=4 3231 B10R0.19 CCCC(=O)N(C)CCCO 527a_100000213112_100000211992 [0,1,0,0,0,0|3,0,0]=4 3232 B10R0.19 CCCC(=O)N(C)CCOC 11a_100000743101_100000211992 [0,1,0,0,0,0|3,0,0]=4 3233 B10R0.19 CCCC(=O)N(C)CCOC 1626a_100000743101_100000211992 [0,1,0,0,0,0|3,0,0]=4 3234 B10R0.19 CCCC(=O)N(C)CCOC 240690a_100000743101_100000211992 [0,1,0,0,0,0|3,0,0]=4 3235 B10R0.19 CCCC(=O)N(C)CCOC 527a_100000743101_100000211992 [0,1,0,0,0,0|3,0,0]=4 3236 B10R0.19 CCCC(=O)N(C)CCSC 11a_100000686725_100000211992 [0,1,0,0,0,0|3,0,0]=4 3237 B10R0.19 CCCC(=O)N(C)CCSC 1626a_100000686725_100000211992 [0,1,0,0,0,0|3,0,0]=4 3238 B10R0.19 CCCC(=O)N(C)CCSC 240690a_100000686725_100000211992 [0,1,0,0,0,0|3,0,0]=4 3239 B10R0.19 CCCC(=O)N(C)CCSC 527a_100000686725_100000211992 [0,1,0,0,0,0|3,0,0]=4 3240 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,1,0,0,0,0|1,0,1]=3 3241 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,1,0,0,0,0|1,0,2]=4 3242 B10R0.19 CCCCC(C)C(=O)C=CBr 1458a_100016273825_200011215066 [0,1,0,0,0,0|2,0,1]=4 3243 B10R0.19 CCCCC(C)C(=O)C=CCl 1458a_200016279998_200011215066 [0,1,0,0,0,0|2,0,1]=4 3244 B10R0.19 CCCCC(C)C(=O)C=CI 1458a_100016256311_200011215066 [0,1,0,0,0,0|2,0,1]=4 3245 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,1,0,0,0,0|2,0,1]=4 3246 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,1,0,0,0,0|2,0,1]=4 3247 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,1,0,0,0,0|1,0,0]=2 3248 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,1,0,0,0,0|1,0,0]=2 3249 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,1,0,0,0,0|2,0,0]=3 3250 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,1,0,0,0,0|2,0,0]=3 3251 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,1,0,0,0,0|2,0,0]=3 3252 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,1,0,0,0,0|2,0,0]=3 3253 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,1,0,0,0,0|2,0,0]=3 3254 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,1,0,0,0,0|1,0,0]=2 3255 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,1,0,0,0,0|1,0,0]=2 3256 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,1,0,0,0,0|1,0,0]=2 3257 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,1,0,0,0,0|2,0,0]=3 3258 B10R0.19 CCCCC(C)N(C)CCC 2230a_100000747261_200011215066 [0,1,0,0,0,0|3,0,0]=4 3259 B10R0.19 CCCCC(C)N(C)CCC 269982a_100000747261_200011215066 [0,1,0,0,0,0|3,0,0]=4 3260 B10R0.19 CCCCC(C)N(C)CCC 270004a_100000747261_100000210087 [0,1,0,0,0,0|3,0,0]=4 3261 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,1,0,0,0,0|2,0,1]=4 3262 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,1,0,0,0,0|1,0,0]=2 3263 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,1,0,0,0,0|2,0,0]=3 3264 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,1,0,0,0,0|2,0,0]=3 3265 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,1,0,0,0,0|1,0,0]=2 3266 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,1,0,0,0,0|1,0,0]=2 3267 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,1,0,0,0,0|2,0,0]=3 3268 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 3269 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 3270 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 3271 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,1,0,0,0,0|2,0,0]=3 3272 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,1,0,0,0,0|3,0,0]=4 3273 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 3274 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,1,0,0,0,0|3,0,0]=4 3275 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,1,0,0,0,0|3,0,0]=4 3276 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 3277 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 3278 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 3279 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,1,0,0,0,0|3,0,0]=4 3280 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,1,0,0,0,0|3,0,0]=4 3281 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 3282 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 3283 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 3284 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,1,0,0,0,0|3,0,0]=4 3285 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,1,0,0,0,0|3,0,0]=4 3286 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,1,0,0,0,0|3,0,0]=4 3287 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,1,0,0,0,0|3,0,0]=4 3288 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,1,0,0,0,0|3,0,0]=4 3289 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,1,0,0,0,0|2,0,0]=3 3290 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,1,0,0,0,0|2,0,0]=3 3291 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,1,0,0,0,0|2,0,1]=4 3292 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,1,0,0,0,0|2,0,1]=4 3293 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,1,0,0,0,0|2,0,1]=4 3294 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,1,0,0,0,0|2,0,1]=4 3295 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,1,0,0,0,0|2,0,1]=4 3296 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,1,0,0,0,0|2,0,1]=4 3297 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,1,0,0,0,0|1,0,1]=3 3298 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,1,0,0,0,0|1,0,1]=3 3299 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,1,0,0,0,0|1,0,1]=3 3300 B10R0.19 CCCNC(C)C(=O)NCC 2230a_100000736553_100000210303 [0,1,0,0,0,0|2,0,0]=3 3301 B10R0.19 CCCNC(C)C(=O)NCC 34a_100000736553_100000210303 [0,1,0,0,0,0|2,0,0]=3 3302 B10R0.19 CCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210303 [0,1,0,0,0,0|1,1,0]=3 3303 B10R0.19 CCCOC(C)C(=O)NCC 34a_100000210258_100000230173 [0,1,0,0,0,0|2,0,0]=3 3304 B10R0.19 CCCOC(C)C(=O)OCC 34a_100000210258_100011216346 [0,1,0,0,0,0|1,0,0]=2 3305 B10R0.19 CCCOC(F)C(=O)OCC 34a_100000210258_100000760018 [0,1,0,0,0,0|1,0,0]=2 3306 B10R0.19 CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210303 [0,1,0,0,0,0|1,0,0]=2 3307 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000210303_100000230173 [0,1,0,0,0,0|2,0,0]=3 3308 B10R0.19 CCCSC(C)C(=O)NCC 62a_100000230173_100000210303 [0,1,0,0,0,0|2,0,0]=3 3309 B10R0.19 CCCSC(C)C(=O)OCC 62a_100000210303_100011216346 [0,1,0,0,0,0|1,0,0]=2 3310 B10R0.19 CCCSC(C)C(=O)OCC 62a_100011216346_100000210303 [0,1,0,0,0,0|1,0,0]=2 3311 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000210303_100000760018 [0,1,0,0,0,0|1,0,0]=2 3312 B10R0.19 CCCSC(F)C(=O)OCC 62a_100000760018_100000210303 [0,1,0,0,0,0|1,0,0]=2 3313 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,1,0,0,0,0|2,0,1]=4 3314 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,1,0,0,0,0|2,0,1]=4 3315 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,1,0,0,0,0|2,0,1]=4 3316 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,1,0,0,0,0|2,0,1]=4 3317 B10R0.19 CCNC(=O)C(C)NCCF 2230a_100000736553_100011217306 [0,1,0,0,0,0|3,0,0]=4 3318 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000724931_100000230173 [0,1,0,0,0,0|3,0,0]=4 3319 B10R0.19 CCNC(=O)C(C)NCCF 34a_100000736553_100011217306 [0,1,0,0,0,0|3,0,0]=4 3320 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100000736553_100000211926 [0,1,0,0,0,0|3,0,0]=4 3321 B10R0.19 CCNC(=O)C(C)NCCO 2230a_100016997473_100000230173 [0,1,0,0,0,0|3,0,0]=4 3322 B10R0.19 CCNC(=O)C(C)NCCO 34a_100000736553_100000211926 [0,1,0,0,0,0|3,0,0]=4 3323 B10R0.19 CCNC(=O)C(C)NCCO 34a_100016990907_100000230173 [0,1,0,0,0,0|3,0,0]=4 3324 B10R0.19 CCNC(=O)C(C)NCOC 2230a_100000736553_100000766300 [0,1,0,0,0,0|3,0,0]=4 3325 B10R0.19 CCNC(=O)C(C)NCSC 2230a_100000736553_100011218213 [0,1,0,0,0,0|3,0,0]=4 3326 B10R0.19 CCNC(=O)C(C)NCSC 34a_100000736553_100011218213 [0,1,0,0,0,0|3,0,0]=4 3327 B10R0.19 CCNC(=O)C(C)OCCBr 34a_100000211926_100000230173 [0,1,0,0,0,0|3,0,0]=4 3328 B10R0.19 CCNC(=O)C(C)OCCN 34a_100000210304_100000230173 [0,1,0,0,0,0|3,0,0]=4 3329 B10R0.19 CCNC(=O)C(C)SCCF 62a_100000230173_100011217306 [0,1,0,0,0,0|3,0,0]=4 3330 B10R0.19 CCNC(=O)C(C)SCCF 62a_100011217306_100000230173 [0,1,0,0,0,0|3,0,0]=4 3331 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000211926_100000230173 [0,1,0,0,0,0|3,0,0]=4 3332 B10R0.19 CCNC(=O)C(C)SCCO 62a_100000230173_100000211926 [0,1,0,0,0,0|3,0,0]=4 3333 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000230173_100000766300 [0,1,0,0,0,0|3,0,0]=4 3334 B10R0.19 CCNC(=O)C(C)SCOC 62a_100000766300_100000230173 [0,1,0,0,0,0|3,0,0]=4 3335 B10R0.19 CCNC(=O)C(C)SCSC 62a_100000230173_100011218213 [0,1,0,0,0,0|3,0,0]=4 3336 B10R0.19 CCNC(=O)C(C)SCSC 62a_100011218213_100000230173 [0,1,0,0,0,0|3,0,0]=4 3337 B10R0.19 CCNC(=O)C(O)CCSC 240690a_100015525214_100000685904 [0,1,0,0,0,0|2,0,0]=3 3338 B10R0.19 CCNC(=O)N(C)CCCO 2708a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 3339 B10R0.19 CCNC(=O)N(C)CCCO 273464a_100015525214_100000213112 [0,1,0,0,0,0|3,0,0]=4 3340 B10R0.19 CCNC(=O)N(C)CCOC 2708a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 3341 B10R0.19 CCNC(=O)N(C)CCOC 273464a_100015525214_100000743101 [0,1,0,0,0,0|3,0,0]=4 3342 B10R0.19 CCNC(=O)N(C)CCSC 2708a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 3343 B10R0.19 CCNC(=O)N(C)CCSC 273464a_100015525214_100000686725 [0,1,0,0,0,0|3,0,0]=4 3344 B10R0.19 CCNN=C(C)C(=O)OCC 4a_100000756455_100000209952 [0,1,0,0,0,0|2,0,1]=4 3345 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,1,0,0,0,0|1,0,1]=3 3346 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,1,0,0,0,0|1,0,1]=3 3347 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,1,0,0,0,0|2,0,1]=4 3348 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,1,0,0,0,0|2,0,1]=4 3349 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,1,0,0,0,0|2,0,1]=4 3350 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,1,0,0,0,0|2,0,1]=4 3351 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,1,0,0,0,0|2,0,1]=4 3352 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,1,0,0,0,0|2,0,1]=4 3353 B10R0.19 CCOC(=O)C(C)NCCF 34a_100000724931_100011216346 [0,1,0,0,0,0|2,0,0]=3 3354 B10R0.19 CCOC(=O)C(C)NCCO 2230a_100016997473_100011215307 [0,1,0,0,0,0|2,0,0]=3 3355 B10R0.19 CCOC(=O)C(C)NCCO 34a_100016990907_100011216346 [0,1,0,0,0,0|2,0,0]=3 3356 B10R0.19 CCOC(=O)C(C)OCCBr 34a_100000211926_100011216346 [0,1,0,0,0,0|2,0,0]=3 3357 B10R0.19 CCOC(=O)C(C)OCCN 34a_100000210304_100011216346 [0,1,0,0,0,0|2,0,0]=3 3358 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011215382_100011216346 [0,1,0,0,0,0|2,0,1]=4 3359 B10R0.19 CCOC(=O)C(C)SCC#N 62a_100011216346_100011215382 [0,1,0,0,0,0|2,0,1]=4 3360 B10R0.19 CCOC(=O)C(C)SCC=O 62a_100011216346_200015260668 [0,1,0,0,0,0|2,0,1]=4 3361 B10R0.19 CCOC(=O)C(C)SCC=O 62a_200015260668_100011216346 [0,1,0,0,0,0|2,0,1]=4 3362 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011216346_100011217306 [0,1,0,0,0,0|2,0,0]=3 3363 B10R0.19 CCOC(=O)C(C)SCCF 62a_100011217306_100011216346 [0,1,0,0,0,0|2,0,0]=3 3364 B10R0.19 CCOC(=O)C(C)SCCO 62a_100000211926_100011216346 [0,1,0,0,0,0|2,0,0]=3 3365 B10R0.19 CCOC(=O)C(C)SCCO 62a_100011216346_100000211926 [0,1,0,0,0,0|2,0,0]=3 3366 B10R0.19 CCOC(=O)C(C)SCOC 62a_100000766300_100011216346 [0,1,0,0,0,0|2,0,0]=3 3367 B10R0.19 CCOC(=O)C(C)SCOC 62a_100011216346_100000766300 [0,1,0,0,0,0|2,0,0]=3 3368 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011216346_100011218213 [0,1,0,0,0,0|2,0,0]=3 3369 B10R0.19 CCOC(=O)C(C)SCSC 62a_100011218213_100011216346 [0,1,0,0,0,0|2,0,0]=3 3370 B10R0.19 CCOC(=O)C(F)NCCF 34a_100000724931_100000760018 [0,1,0,0,0,0|2,0,0]=3 3371 B10R0.19 CCOC(=O)C(F)NCCO 2230a_100016997473_100000760018 [0,1,0,0,0,0|2,0,0]=3 3372 B10R0.19 CCOC(=O)C(F)NCCO 34a_100016990907_100000760018 [0,1,0,0,0,0|2,0,0]=3 3373 B10R0.19 CCOC(=O)C(F)OCCBr 34a_100000211926_100000760018 [0,1,0,0,0,0|2,0,0]=3 3374 B10R0.19 CCOC(=O)C(F)OCCN 34a_100000210304_100000760018 [0,1,0,0,0,0|2,0,0]=3 3375 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100000760018_100011215382 [0,1,0,0,0,0|2,0,1]=4 3376 B10R0.19 CCOC(=O)C(F)SCC#N 62a_100011215382_100000760018 [0,1,0,0,0,0|2,0,1]=4 3377 B10R0.19 CCOC(=O)C(F)SCC=O 62a_100000760018_200015260668 [0,1,0,0,0,0|2,0,1]=4 3378 B10R0.19 CCOC(=O)C(F)SCC=O 62a_200015260668_100000760018 [0,1,0,0,0,0|2,0,1]=4 3379 B10R0.19 CCOC(=O)C(F)SCCF 62a_100000760018_100011217306 [0,1,0,0,0,0|2,0,0]=3 3380 B10R0.19 CCOC(=O)C(F)SCCF 62a_100011217306_100000760018 [0,1,0,0,0,0|2,0,0]=3 3381 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000211926_100000760018 [0,1,0,0,0,0|2,0,0]=3 3382 B10R0.19 CCOC(=O)C(F)SCCO 62a_100000760018_100000211926 [0,1,0,0,0,0|2,0,0]=3 3383 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000760018_100000766300 [0,1,0,0,0,0|2,0,0]=3 3384 B10R0.19 CCOC(=O)C(F)SCOC 62a_100000766300_100000760018 [0,1,0,0,0,0|2,0,0]=3 3385 B10R0.19 CCOC(=O)C(F)SCSC 62a_100000760018_100011218213 [0,1,0,0,0,0|2,0,0]=3 3386 B10R0.19 CCOC(=O)C(F)SCSC 62a_100011218213_100000760018 [0,1,0,0,0,0|2,0,0]=3 3387 B10R0.19 CCOC(=O)[C@H](C)OCC#N 7a_100000751109_100011215382 [0,1,0,0,0,0|2,0,1]=4 3388 B10R0.19 CCOC(=O)[C@H](C)OCC=O 7a_100000751109_200015260668 [0,1,0,0,0,0|2,0,1]=4 3389 B10R0.19 CCOC(=O)[C@H](C)OCCF 7a_100000751109_100011217306 [0,1,0,0,0,0|2,0,0]=3 3390 B10R0.19 CCOC(=O)[C@H](C)OCCO 7a_100000751109_100000211926 [0,1,0,0,0,0|2,0,0]=3 3391 B10R0.19 CCSC(=O)[C@H](C)NCCF 2230a_100103168634_100011217306 [0,1,0,0,0,0|2,1,0]=4 3392 B10R0.19 CCSC(=O)[C@H](C)NCCO 2230a_100103168634_100000211926 [0,1,0,0,0,0|2,1,0]=4 3393 B10R0.19 CCSC(=O)[C@H](C)NCOC 2230a_100103168634_100000766300 [0,1,0,0,0,0|2,1,0]=4 3394 B10R0.19 CCSC(=O)[C@H](C)NCSC 2230a_100103168634_100011218213 [0,1,0,0,0,0|2,1,0]=4 3395 B10R0.19 CNNC(=O)C(O)CCSC 22a_100016993582_100000685904 [0,1,0,0,0,0|3,0,0]=4 3396 B10R0.19 CSCCC(O)C(=O)CCF 1458a_100000685904_100011217306 [0,1,0,0,0,0|3,0,0]=4 3397 B10R0.19 CSCCC(O)C(=O)CCO 1458a_100000685904_100000211926 [0,1,0,0,0,0|3,0,0]=4 3398 B10R0.24 C#CC(CCCCC)OCC 34a_100011216489_100000210202 [0,1,0,0,0,0|1,0,1]=3 3399 B10R0.24 C#CC(CCCCC)OCC 7a_100011216489_100000210202 [0,1,0,0,0,0|1,0,1]=3 3400 B10R0.24 C#CC(CCCCC)OCF 34a_100011216489_100015361967 [0,1,0,0,0,0|2,0,1]=4 3401 B10R0.24 C#CC(CCCCC)OCF 7a_100011216489_100015361967 [0,1,0,0,0,0|2,0,1]=4 3402 B10R0.24 C=CC(CCCCC)OCC 34a_100011216863_100000210202 [0,1,0,0,0,0|1,0,1]=3 3403 B10R0.24 C=CC(CCCCC)OCC 7a_100011216863_100000210202 [0,1,0,0,0,0|1,0,1]=3 3404 B10R0.24 C=CC(CCCCC)OCF 34a_100011216863_100015361967 [0,1,0,0,0,0|2,0,1]=4 3405 B10R0.24 C=CC(CCCCC)OCF 7a_100011216863_100015361967 [0,1,0,0,0,0|2,0,1]=4 3406 B10R0.24 CCCCCC(CC)NCC 270004a_100015525214_100011215316 [0,1,0,0,0,0|2,0,1]=4 3407 B10R0.24 CCCCCC(CC)OCC 34a_100011215405_100000210202 [0,1,0,0,0,0|1,0,1]=3 3408 B10R0.24 CCCCCC(CC)OCC 7a_100011215405_100000210202 [0,1,0,0,0,0|1,0,1]=3 3409 B10R0.24 CCCCCC(CC)OCF 34a_100011215405_100015361967 [0,1,0,0,0,0|2,0,1]=4 3410 B10R0.24 CCCCCC(CC)OCF 7a_100011215405_100015361967 [0,1,0,0,0,0|2,0,1]=4 3411 B10R0.24 CCCCCC(CCC)NC 270004a_106832991635_200011216343 [0,1,0,0,0,0|2,0,1]=4 3412 B10R0.24 CCCCCC(CCC)OC 34a_200011215058_200000210301 [0,1,0,0,0,0|1,0,2]=4 3413 B10R0.24 CCCCCC(CCC)OC 7a_200011215058_200000210301 [0,1,0,0,0,0|1,0,2]=4 3414 B10R0.24 CCCCCC(CCC)O[13CH3] 34a_200011215058_200025704644 [0,1,0,0,0,0|1,0,2]=4 3415 B10R0.24 CCCCCC(CCC)O[13CH3] 7a_200011215058_200025704644 [0,1,0,0,0,0|1,0,2]=4 3416 B10R0.24 CCCCCN(CC)CCC 2230a_100000226822_100000210326 [0,1,0,0,0,0|3,0,0]=4 3417 B10R0.24 CCCCCN(CC)CCC 2230a_200000226819_100000210202 [0,1,0,0,0,0|3,0,0]=4 3418 B10R0.24 CCCCCN(CC)CCC 269982a_100000226822_100000210215 [0,1,0,0,0,0|3,0,0]=4 3419 B10R0.24 CCCCCN(CC)CCC 269982a_200000226819_100000204670 [0,1,0,0,0,0|3,0,0]=4 3420 B10R0.24 CCCCCN(CF)CCC 269982a_200000226819_100015361967 [0,1,0,0,0,0|3,0,0]=4 3421 B10R0.24 CCCNCC(CC)OCC 2230a_100015183923_100000210303 [0,1,0,0,0,0|2,0,1]=4 3422 B10R0.24 CCCNCC(CC)OCC 34a_100015183923_100000210303 [0,1,0,0,0,0|2,0,1]=4 3423 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,1,0,0,0,0|1,0,2]=4 3424 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100000690238_100000758301 [0,1,0,0,0,0|1,0,2]=4 3425 B10R0.83 C#CCCCC(=O)C(C)CC 1458a_100011192722_100000731252 [0,1,0,0,0,0|1,0,2]=4 3426 B10R0.83 C#CCCCC(=O)C(O)CC 1458a_100011196387_100000731252 [0,1,0,0,0,0|1,0,2]=4 3427 B10R0.83 C#CCCCC(=O)N(C)CC 11a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 3428 B10R0.83 C#CCCCC(=O)N(C)CC 1626a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 3429 B10R0.83 C#CCCCC(=O)N(C)CC 240690a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 3430 B10R0.83 C#CCCCC(=O)N(C)CC 527a_100000225621_100000690238 [0,1,0,0,0,0|1,0,2]=4 3431 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,1,0,0,0,0|1,0,1]=3 3432 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,1,0,0,0,0|2,0,1]=4 3433 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,1,0,0,0,0|2,0,1]=4 3434 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,1,0,0,0,0|2,0,1]=4 3435 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,1,0,0,0,0|2,0,1]=4 3436 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,1,0,0,0,0|2,0,1]=4 3437 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,1,0,0,0,0|2,0,1]=4 3438 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,1,0,0,0,0|2,0,1]=4 3439 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,1,0,0,0,0|1,0,2]=4 3440 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100000766728_100000758301 [0,1,0,0,0,0|1,0,2]=4 3441 B10R0.83 C=CCCCC(=O)C(C)CC 1458a_100011192722_100000757094 [0,1,0,0,0,0|1,0,2]=4 3442 B10R0.83 C=CCCCC(=O)C(O)CC 1458a_100011196387_100000757094 [0,1,0,0,0,0|1,0,2]=4 3443 B10R0.83 C=CCCCC(=O)N(C)CC 11a_100000225621_100000766728 [0,1,0,0,0,0|1,0,2]=4 3444 B10R0.83 C=CCCCC(=O)N(C)CC 1626a_100000225621_100000766728 [0,1,0,0,0,0|1,0,2]=4 3445 B10R0.83 C=CCCCC(=O)N(C)CC 240690a_100000225621_100000766728 [0,1,0,0,0,0|1,0,2]=4 3446 B10R0.83 C=CCCCC(=O)N(C)CC 527a_100000225621_100000766728 [0,1,0,0,0,0|1,0,2]=4 3447 B10R0.83 CC/C=C/CC(=O)C(C)CC 1458a_100016274230_100000758301 [0,1,0,0,0,0|1,0,2]=4 3448 B10R0.83 CC/C=C/CC(=O)N(C)CC 11a_100000225621_100016274230 [0,1,0,0,0,0|1,0,2]=4 3449 B10R0.83 CC/C=C/CC(=O)N(C)CC 1626a_100000225621_100016274230 [0,1,0,0,0,0|1,0,2]=4 3450 B10R0.83 CC/C=C/CC(=O)N(C)CC 240690a_100000225621_100016274230 [0,1,0,0,0,0|1,0,2]=4 3451 B10R0.83 CC/C=C/CC(=O)N(C)CC 527a_100000225621_100016274230 [0,1,0,0,0,0|1,0,2]=4 3452 B10R0.83 CC/C=C\CC(=O)C(C)CC 1458a_100011192722_100103147603 [0,1,0,0,0,0|1,0,2]=4 3453 B10R0.83 CC/C=C\CC(=O)C(O)CC 1458a_100011196387_100103147603 [0,1,0,0,0,0|1,0,2]=4 3454 B10R0.83 CCC#CCC(=O)C(C)CC 1458a_100011192722_100009813939 [0,1,0,0,0,0|1,0,2]=4 3455 B10R0.83 CCC#CCC(=O)C(O)CC 1458a_100011196387_100009813939 [0,1,0,0,0,0|1,0,2]=4 3456 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100000075515_100000758301 [0,1,0,0,0,0|2,0,1]=4 3457 B10R0.83 CCC(C)C(=O)CCCC#N 1458a_100011192722_100000211468 [0,1,0,0,0,0|2,0,1]=4 3458 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,1,0,0,0,0|2,0,0]=3 3459 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,1,0,0,0,0|2,0,0]=3 3460 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,1,0,0,0,0|2,0,0]=3 3461 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,1,0,0,0,0|2,0,0]=3 3462 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,1,0,0,0,0|2,0,0]=3 3463 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,1,0,0,0,0|2,0,0]=3 3464 B10R0.83 CCC(C)C(=O)COCCO 1458a_100000708028_100000758301 [0,1,0,0,0,0|3,0,0]=4 3465 B10R0.83 CCC(C)C(=O)NCCCF 11a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 3466 B10R0.83 CCC(C)C(=O)NCCCF 1626a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 3467 B10R0.83 CCC(C)C(=O)NCCCF 240690a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 3468 B10R0.83 CCC(C)C(=O)NCCCF 527a_100015189416_100011192722 [0,1,0,0,0,0|3,0,0]=4 3469 B10R0.83 CCC(C)C(=O)NCCCO 240690a_100000182051_100011192722 [0,1,0,0,0,0|3,0,0]=4 3470 B10R0.83 CCC(C)C(=O)NCCCO 527a_100000182051_100011192722 [0,1,0,0,0,0|3,0,0]=4 3471 B10R0.83 CCC(C)C(=O)NCCOC 1626a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 3472 B10R0.83 CCC(C)C(=O)NCCOC 240690a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 3473 B10R0.83 CCC(C)C(=O)NCCOC 527a_100000209980_100011192722 [0,1,0,0,0,0|3,0,0]=4 3474 B10R0.83 CCC(C)C(=O)NCCSC 11a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 3475 B10R0.83 CCC(C)C(=O)NCCSC 1626a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 3476 B10R0.83 CCC(C)C(=O)NCCSC 240690a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 3477 B10R0.83 CCC(C)C(=O)NCCSC 527a_100020590264_100011192722 [0,1,0,0,0,0|3,0,0]=4 3478 B10R0.83 CCC(O)C(=O)CCCC#N 1458a_100011196387_100000211468 [0,1,0,0,0,0|2,0,1]=4 3479 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,1,0,0,0,0|2,0,0]=3 3480 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,1,0,0,0,0|2,0,0]=3 3481 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,1,0,0,0,0|2,0,0]=3 3482 B10R0.83 CCC(O)C(=O)NCCCF 240690a_100015189416_100011196387 [0,1,0,0,0,0|3,0,0]=4 3483 B10R0.83 CCC(O)C(=O)NCCCO 240690a_100000182051_100011196387 [0,1,0,0,0,0|3,0,0]=4 3484 B10R0.83 CCC(O)C(=O)NCCOC 240690a_100000209980_100011196387 [0,1,0,0,0,0|3,0,0]=4 3485 B10R0.83 CCC(O)C(=O)NCCSC 240690a_100020590264_100011196387 [0,1,0,0,0,0|3,0,0]=4 3486 B10R0.83 CCCC#CC(=O)C(C)CC 1458a_200011218047_100000758301 [0,1,0,0,0,0|1,0,2]=4 3487 B10R0.83 CCCC#CC(=O)N(C)CC 240690a_100000225621_200011218047 [0,1,0,0,0,0|1,0,2]=4 3488 B10R0.83 CCCC=CC(=O)C(C)CC 1458a_100000212230_100000758301 [0,1,0,0,0,0|1,0,2]=4 3489 B10R0.83 CCCC=CC(=O)N(C)CC 11a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 3490 B10R0.83 CCCC=CC(=O)N(C)CC 1626a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 3491 B10R0.83 CCCC=CC(=O)N(C)CC 240690a_100000225621_100000212230 [0,1,0,0,0,0|1,0,2]=4 3492 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,1,0,0,0,0|2,0,0]=3 3493 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,1,0,0,0,0|2,0,1]=4 3494 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,1,0,0,0,0|2,0,1]=4 3495 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,1,0,0,0,0|1,0,0]=2 3496 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,1,0,0,0,0|1,0,0]=2 3497 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,1,0,0,0,0|2,0,0]=3 3498 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,1,0,0,0,0|2,0,0]=3 3499 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,1,0,0,0,0|1,0,0]=2 3500 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,1,0,0,0,0|2,0,0]=3 3501 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,1,0,0,0,0|1,0,0]=2 3502 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,1,0,0,0,0|1,0,0]=2 3503 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,1,0,0,0,0|1,0,0]=2 3504 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,1,0,0,0,0|1,0,0]=2 3505 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,1,0,0,0,0|2,0,1]=4 3506 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,1,0,0,0,0|2,0,1]=4 3507 B10R0.83 CCCCCC(C)N(C)CC 2230a_100000225621_200011218191 [0,1,0,0,0,0|2,0,1]=4 3508 B10R0.83 CCCCCC(C)N(C)CC 269982a_100000225621_200011218191 [0,1,0,0,0,0|2,0,1]=4 3509 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,1,0,0,0,0|3,0,0]=4 3510 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,1,0,0,0,0|3,0,0]=4 3511 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,1,0,0,0,0|3,0,0]=4 3512 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,1,0,0,0,0|3,0,0]=4 3513 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000223495_100000758301 [0,1,0,0,0,0|3,0,0]=4 3514 B10R0.83 CCCCCN(C)C(C)CC 2230a_100000741768_100000210326 [0,1,0,0,0,0|3,0,0]=4 3515 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000223495_100000758301 [0,1,0,0,0,0|3,0,0]=4 3516 B10R0.83 CCCCCN(C)C(C)CC 269982a_100000741768_100000210215 [0,1,0,0,0,0|3,0,0]=4 3517 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,1,0,0,0,0|3,0,0]=4 3518 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,1,0,0,0,0|3,0,0]=4 3519 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,1,0,0,0,0|3,0,0]=4 3520 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,1,0,0,0,0|3,0,0]=4 3521 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,1,0,0,0,0|3,0,0]=4 3522 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,1,0,0,0,0|3,0,0]=4 3523 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,1,0,0,0,0|3,0,0]=4 3524 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 3525 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 3526 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 3527 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,1,0,0,0,0|2,0,0]=3 3528 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,1,0,0,0,0|3,0,0]=4 3529 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,1,0,0,0,0|3,0,0]=4 3530 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,1,0,0,0,0|3,0,0]=4 3531 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,1,0,0,0,0|3,0,0]=4 3532 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,1,0,0,0,0|3,0,0]=4 3533 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,1,0,0,0,0|3,0,0]=4 3534 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,1,0,0,0,0|3,0,0]=4 3535 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,1,0,0,0,0|3,0,0]=4 3536 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,1,0,0,0,0|3,0,0]=4 3537 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,1,0,0,0,0|3,0,0]=4 3538 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,1,0,0,0,0|3,0,0]=4 3539 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,1,0,0,0,0|3,0,0]=4 3540 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,1,0,0,0,0|3,0,0]=4 3541 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,1,0,0,0,0|3,0,0]=4 3542 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,1,0,0,0,0|3,0,0]=4 3543 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,1,0,0,0,0|3,0,0]=4 3544 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,1,0,0,0,0|2,0,0]=3 3545 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,1,0,0,0,0|3,0,0]=4 3546 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,1,0,0,0,0|2,0,0]=3 3547 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,1,0,0,0,0|2,0,0]=3 3548 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,1,0,0,0,0|3,0,0]=4 3549 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,1,0,0,0,0|3,0,0]=4 3550 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,1,0,0,0,0|3,0,0]=4 3551 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,1,0,0,0,0|3,0,0]=4 3552 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,1,0,0,0,0|3,0,0]=4 3553 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,1,0,0,0,0|3,0,0]=4 3554 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,1,0,0,0,0|3,0,0]=4 3555 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,1,0,0,0,0|3,0,0]=4 3556 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,1,0,0,0,0|3,0,0]=4 3557 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,1,0,0,0,0|3,0,0]=4 3558 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,1,0,0,0,0|3,0,0]=4 3559 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,1,0,0,0,0|3,0,0]=4 3560 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,1,0,0,0,0|3,0,0]=4 3561 B10R0.83 CCCNNC(=O)C(C)CC 22a_100000740057_100011192722 [0,1,0,0,0,0|3,0,0]=4 3562 B10R0.83 CCCNNC(=O)C(O)CC 22a_100000740057_100011196387 [0,1,0,0,0,0|3,0,0]=4 3563 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,1,0,0,0,0|3,0,0]=4 3564 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,1,0,0,0,0|2,0,0]=3 3565 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,1,0,0,0,0|2,0,0]=3 3566 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,1,0,0,0,0|2,0,0]=3 3567 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,1,0,0,0,0|2,0,0]=3 3568 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,1,0,0,0,0|2,0,0]=3 3569 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,1,0,0,0,0|2,0,0]=3 3570 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,1,0,0,0,0|3,0,0]=4 3571 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,1,0,0,0,0|3,0,0]=4 3572 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,1,0,0,0,0|2,0,0]=3 3573 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,1,0,0,0,0|2,0,0]=3 3574 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,1,0,0,0,0|2,0,0]=3 3575 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,1,0,0,0,0|2,0,0]=3 3576 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,1,0,0,0,0|2,0,0]=3 3577 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,1,0,0,0,0|2,0,0]=3 3578 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,1,0,0,0,0|2,0,0]=3 3579 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,1,0,0,0,0|3,0,0]=4 3580 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,1,0,0,0,0|3,0,0]=4 3581 B10R0.83 CCN(C)C(=O)CCCC#N 11a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 3582 B10R0.83 CCN(C)C(=O)CCCC#N 1626a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 3583 B10R0.83 CCN(C)C(=O)CCCC#N 240690a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 3584 B10R0.83 CCN(C)C(=O)CCCC#N 527a_100000225621_100000075515 [0,1,0,0,0,0|2,0,1]=4 3585 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,1,0,0,0,0|2,0,0]=3 3586 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,1,0,0,0,0|2,0,0]=3 3587 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,1,0,0,0,0|2,0,0]=3 3588 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,1,0,0,0,0|2,0,0]=3 3589 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,1,0,0,0,0|2,0,0]=3 3590 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,1,0,0,0,0|2,0,0]=3 3591 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,1,0,0,0,0|2,0,0]=3 3592 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,1,0,0,0,0|2,0,0]=3 3593 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,1,0,0,0,0|2,0,0]=3 3594 B10R0.83 CCN(C)C(=O)CNCCF 34a_100000724931_100000738999 [0,1,0,0,0,0|3,0,0]=4 3595 B10R0.83 CCN(C)C(=O)CNCCO 2230a_100016997473_100000738999 [0,1,0,0,0,0|3,0,0]=4 3596 B10R0.83 CCN(C)C(=O)CNCCO 34a_100016990907_100000738999 [0,1,0,0,0,0|3,0,0]=4 3597 B10R0.83 CCN(C)C(=O)COCCBr 34a_100000211926_100000738999 [0,1,0,0,0,0|3,0,0]=4 3598 B10R0.83 CCN(C)C(=O)COCCN 34a_100000210304_100000738999 [0,1,0,0,0,0|3,0,0]=4 3599 B10R0.83 CCN(C)C(=O)COCCO 1626a_100000225621_100000708028 [0,1,0,0,0,0|3,0,0]=4 3600 B10R0.83 CCN(C)C(=O)COCCO 240690a_100000225621_100000708028 [0,1,0,0,0,0|3,0,0]=4 3601 B10R0.83 CCN(C)C(=O)CSCCF 62a_100000738999_100011217306 [0,1,0,0,0,0|3,0,0]=4 3602 B10R0.83 CCN(C)C(=O)CSCCF 62a_100011217306_100000738999 [0,1,0,0,0,0|3,0,0]=4 3603 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000211926_100000738999 [0,1,0,0,0,0|3,0,0]=4 3604 B10R0.83 CCN(C)C(=O)CSCCO 62a_100000738999_100000211926 [0,1,0,0,0,0|3,0,0]=4 3605 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000738999_100000766300 [0,1,0,0,0,0|3,0,0]=4 3606 B10R0.83 CCN(C)C(=O)CSCOC 62a_100000766300_100000738999 [0,1,0,0,0,0|3,0,0]=4 3607 B10R0.83 CCN(C)C(=O)CSCSC 62a_100000738999_100011218213 [0,1,0,0,0,0|3,0,0]=4 3608 B10R0.83 CCN(C)C(=O)CSCSC 62a_100011218213_100000738999 [0,1,0,0,0,0|3,0,0]=4 3609 B10R0.83 CCN(C)C(=O)NCCCF 2708a_100015189416_100000225621 [0,1,0,0,0,0|3,0,0]=4 3610 B10R0.83 CCN(C)C(=O)NCCCF 273464a_100015189416_100000225621 [0,1,0,0,0,0|3,0,0]=4 3611 B10R0.83 CCN(C)C(=O)NCCCO 273464a_100000182051_100000225621 [0,1,0,0,0,0|3,0,0]=4 3612 B10R0.83 CCN(C)C(=O)NCCOC 273464a_100000209980_100000225621 [0,1,0,0,0,0|3,0,0]=4 3613 B10R0.83 CCN(C)C(=O)NCCSC 2708a_100020590264_100000225621 [0,1,0,0,0,0|3,0,0]=4 3614 B10R0.83 CCN(C)C(=O)NCCSC 273464a_100020590264_100000225621 [0,1,0,0,0,0|3,0,0]=4 3615 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,1,0,0,0,0|3,0,0]=4 3616 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,1,0,0,0,0|2,0,0]=3 3617 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,1,0,0,0,0|2,0,0]=3 3618 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,1,0,0,0,0|3,0,0]=4 3619 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,1,0,0,0,0|3,0,0]=4 3620 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,1,0,0,0,0|2,0,0]=3 3621 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,1,0,0,0,0|3,0,0]=4 3622 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,1,0,0,0,0|2,0,0]=3 3623 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,1,0,0,0,0|2,0,0]=3 3624 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,1,0,0,0,0|2,0,0]=3 3625 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,1,0,0,0,0|2,0,0]=3 3626 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,1,0,0,0,0|3,0,0]=4 3627 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,1,0,0,0,0|2,0,0]=3 3628 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,1,0,0,0,0|2,0,0]=3 3629 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,1,0,0,0,0|3,0,0]=4 3630 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,1,0,0,0,0|3,0,0]=4 3631 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,1,0,0,0,0|2,0,0]=3 3632 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,1,0,0,0,0|3,0,0]=4 3633 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,1,0,0,0,0|2,0,0]=3 3634 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,1,0,0,0,0|2,0,0]=3 3635 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,1,0,0,0,0|2,0,0]=3 3636 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,1,0,0,0,0|2,0,0]=3 3637 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,1,0,0,0,0|3,0,0]=4 3638 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,1,0,0,0,0|3,0,0]=4 3639 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,1,0,0,0,0|3,0,0]=4 3640 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,1,0,0,0,0|3,0,0]=4 3641 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,1,0,0,0,0|3,0,0]=4 3642 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,1,0,0,0,0|3,0,0]=4 3643 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,1,0,0,0,0|3,0,0]=4 3644 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,1,0,0,0,0|3,0,0]=4 3645 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,1,0,0,0,0|3,0,0]=4 3646 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,1,0,0,0,0|3,0,0]=4 3647 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,1,0,0,0,0|3,0,0]=4 3648 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,1,0,0,0,0|3,0,0]=4 3649 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,1,0,0,0,0|3,0,0]=4 3650 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,1,0,0,0,0|3,0,0]=4 3651 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,1,0,0,0,0|3,0,0]=4 3652 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,1,0,0,0,0|3,0,0]=4 3653 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,1,0,0,0,0|3,0,0]=4 3654 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000212188_100000753159 [0,1,0,0,0,0|1,0,1]=3 3655 B10R0.91 C#CCCC(=O)CCCCC 1458a_100000692101_100000210326 [0,1,0,0,0,0|1,0,1]=3 3656 B10R0.91 C#CCCC(=O)CCCCF 1458a_100000692101_100000729493 [0,1,0,0,0,0|2,0,1]=4 3657 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000692101_100000210776 [0,1,0,0,0,0|2,0,1]=4 3658 B10R0.91 C#CCCC(=O)CCCCO 1458a_100000695505_100000753159 [0,1,0,0,0,0|2,0,1]=4 3659 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000692101_100000740836 [0,1,0,0,0,0|2,0,1]=4 3660 B10R0.91 C#CCCC(=O)CCCOC 1458a_100000741012_100000753159 [0,1,0,0,0,0|2,0,1]=4 3661 B10R0.91 C#CCCC(=O)CCCSC 1458a_100000173376_100000753159 [0,1,0,0,0,0|2,0,1]=4 3662 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000692101_100011215890 [0,1,0,0,0,0|2,0,1]=4 3663 B10R0.91 C#CCCC(=O)CCOCC 1458a_100000749530_100000753159 [0,1,0,0,0,0|2,0,1]=4 3664 B10R0.91 C#CCCC(=O)CCOCC 34a_100011064465_100000210202 [0,1,0,0,0,0|2,0,1]=4 3665 B10R0.91 C#CCCC(=O)CCOCC 7a_100011064465_100000210202 [0,1,0,0,0,0|2,0,1]=4 3666 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000230768_100000753159 [0,1,0,0,0,0|2,0,1]=4 3667 B10R0.91 C#CCCC(=O)CCSCC 1458a_100000692101_100000757381 [0,1,0,0,0,0|2,0,1]=4 3668 B10R0.91 C#CCCC(=O)COCCC 1458a_100000745993_100000753159 [0,1,0,0,0,0|2,0,1]=4 3669 B10R0.91 C#CCCC(=O)CSCCC 1458a_100000217233_100000753159 [0,1,0,0,0,0|2,0,1]=4 3670 B10R0.91 C#CCCC(=O)NCCCC 11a_100000102301_100000692101 [0,1,0,0,0,0|2,0,1]=4 3671 B10R0.91 C#CCCC(=O)NCCCC 1626a_100000102301_100000692101 [0,1,0,0,0,0|2,0,1]=4 3672 B10R0.91 C#CCCC(=O)NCCCC 240690a_100000102301_100000692101 [0,1,0,0,0,0|2,0,1]=4 3673 B10R0.91 C#CCCC(=O)NCCCC 527a_100000102301_100000692101 [0,1,0,0,0,0|2,0,1]=4 3674 B10R0.91 C#CCCCC(=O)C#CCC 1458a_100011827653_100000731252 [0,1,0,0,0,0|1,0,2]=4 3675 B10R0.91 C#CCCCC(=O)C=CCC 1458a_100000212282_100000731252 [0,1,0,0,0,0|1,0,2]=4 3676 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000210183_100000731252 [0,1,0,0,0,0|1,0,2]=4 3677 B10R0.91 C#CCCCC(=O)CCCC 1458a_100000690238_100000210211 [0,1,0,0,0,0|1,0,2]=4 3678 B10R0.91 C#CCCCC(=O)CCCF 1458a_100000690238_100011934791 [0,1,0,0,0,0|1,0,2]=4 3679 B10R0.91 C#CCCCC(=O)CCCO 1458a_100000690238_100011215043 [0,1,0,0,0,0|1,0,2]=4 3680 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000690238_100000233755 [0,1,0,0,0,0|1,0,2]=4 3681 B10R0.91 C#CCCCC(=O)CCOC 1458a_100000749529_100000731252 [0,1,0,0,0,0|1,0,2]=4 3682 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000174002_100000731252 [0,1,0,0,0,0|1,0,2]=4 3683 B10R0.91 C#CCCCC(=O)CCSC 1458a_100000690238_100000751147 [0,1,0,0,0,0|1,0,2]=4 3684 B10R0.91 C#CCCCC(=O)COCC 1458a_100000211967_100000731252 [0,1,0,0,0,0|0,0,2]=3 3685 B10R0.91 C#CCCCC(=O)CSCC 1458a_100000230394_100000731252 [0,1,0,0,0,0|0,1,2]=4 3686 B10R0.91 C#CCCCC(=O)NCCC 11a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 3687 B10R0.91 C#CCCCC(=O)NCCC 1626a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 3688 B10R0.91 C#CCCCC(=O)NCCC 240690a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 3689 B10R0.91 C#CCCCC(=O)NCCC 527a_100020643023_100000690238 [0,1,0,0,0,0|1,0,2]=4 3690 B10R0.91 C#CCCCC(=O)NCCF 11a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 3691 B10R0.91 C#CCCCC(=O)NCCF 1626a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 3692 B10R0.91 C#CCCCC(=O)NCCF 240690a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 3693 B10R0.91 C#CCCCC(=O)NCCF 527a_100000724931_100000690238 [0,1,0,0,0,0|1,0,2]=4 3694 B10R0.91 C#CCCCC(=O)NCCO 240690a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 3695 B10R0.91 C#CCCCC(=O)NCCO 527a_100000210304_100000690238 [0,1,0,0,0,0|1,0,2]=4 3696 B10R0.91 C#CCCCC(=O)NNCC 22a_100000756455_100000690238 [0,1,0,0,0,0|1,0,2]=4 3697 B10R0.91 C#CCCNC(=O)COCC 11a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 3698 B10R0.91 C#CCCNC(=O)COCC 1626a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 3699 B10R0.91 C#CCCNC(=O)COCC 240690a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 3700 B10R0.91 C#CCCNC(=O)COCC 527a_100000755551_100000211967 [0,1,0,0,0,0|1,0,2]=4 3701 B10R0.91 C#CCNC(=O)CCCCC 11a_100000212058_100000212188 [0,1,0,0,0,0|1,0,1]=3 3702 B10R0.91 C#CCNC(=O)CCCCC 1626a_100000212058_100000212188 [0,1,0,0,0,0|1,0,1]=3 3703 B10R0.91 C#CCNC(=O)CCCCC 240690a_100000212058_100000212188 [0,1,0,0,0,0|1,0,1]=3 3704 B10R0.91 C#CCNC(=O)CCCCC 527a_100000212058_100000212188 [0,1,0,0,0,0|1,0,1]=3 3705 B10R0.91 C#CCNC(=O)CCCCO 1626a_100000212058_100000695505 [0,1,0,0,0,0|2,0,1]=4 3706 B10R0.91 C#CCNC(=O)CCCOC 11a_100000212058_100000741012 [0,1,0,0,0,0|2,0,1]=4 3707 B10R0.91 C#CCNC(=O)CCCOC 1626a_100000212058_100000741012 [0,1,0,0,0,0|2,0,1]=4 3708 B10R0.91 C#CCNC(=O)CCCOC 240690a_100000212058_100000741012 [0,1,0,0,0,0|2,0,1]=4 3709 B10R0.91 C#CCNC(=O)CCCOC 527a_100000212058_100000741012 [0,1,0,0,0,0|2,0,1]=4 3710 B10R0.91 C#CCNC(=O)CCCSC 11a_100000212058_100000173376 [0,1,0,0,0,0|2,0,1]=4 3711 B10R0.91 C#CCNC(=O)CCCSC 1626a_100000212058_100000173376 [0,1,0,0,0,0|2,0,1]=4 3712 B10R0.91 C#CCNC(=O)CCCSC 240690a_100000212058_100000173376 [0,1,0,0,0,0|2,0,1]=4 3713 B10R0.91 C#CCNC(=O)CCCSC 527a_100000212058_100000173376 [0,1,0,0,0,0|2,0,1]=4 3714 B10R0.91 C#CCNC(=O)CCOCC 11a_100000212058_100000749530 [0,1,0,0,0,0|2,0,1]=4 3715 B10R0.91 C#CCNC(=O)CCOCC 1626a_100000212058_100000749530 [0,1,0,0,0,0|2,0,1]=4 3716 B10R0.91 C#CCNC(=O)CCOCC 240690a_100000212058_100000749530 [0,1,0,0,0,0|2,0,1]=4 3717 B10R0.91 C#CCNC(=O)CCOCC 527a_100000212058_100000749530 [0,1,0,0,0,0|2,0,1]=4 3718 B10R0.91 C#CCNC(=O)CCSCC 11a_100000212058_100000230768 [0,1,0,0,0,0|2,0,1]=4 3719 B10R0.91 C#CCNC(=O)CCSCC 1626a_100000212058_100000230768 [0,1,0,0,0,0|2,0,1]=4 3720 B10R0.91 C#CCNC(=O)CCSCC 240690a_100000212058_100000230768 [0,1,0,0,0,0|2,0,1]=4 3721 B10R0.91 C#CCNC(=O)CCSCC 527a_100000212058_100000230768 [0,1,0,0,0,0|2,0,1]=4 3722 B10R0.91 C#CCNC(=O)CNCCC 2230a_100000747989_100000210303 [0,1,0,0,0,0|2,0,1]=4 3723 B10R0.91 C#CCNC(=O)CNCCC 34a_100000747989_100000210303 [0,1,0,0,0,0|2,0,1]=4 3724 B10R0.91 C#CCNC(=O)COCCC 11a_100000212058_100000745993 [0,1,0,0,0,0|2,0,1]=4 3725 B10R0.91 C#CCNC(=O)COCCC 1626a_100000212058_100000745993 [0,1,0,0,0,0|2,0,1]=4 3726 B10R0.91 C#CCNC(=O)COCCC 240690a_100000212058_100000745993 [0,1,0,0,0,0|2,0,1]=4 3727 B10R0.91 C#CCNC(=O)COCCC 527a_100000212058_100000745993 [0,1,0,0,0,0|2,0,1]=4 3728 B10R0.91 C#CCNC(=O)CSCCC 11a_100000212058_100000217233 [0,1,0,0,0,0|2,0,1]=4 3729 B10R0.91 C#CCNC(=O)CSCCC 1626a_100000212058_100000217233 [0,1,0,0,0,0|2,0,1]=4 3730 B10R0.91 C#CCNC(=O)CSCCC 240690a_100000212058_100000217233 [0,1,0,0,0,0|2,0,1]=4 3731 B10R0.91 C#CCNC(=O)CSCCC 527a_100000212058_100000217233 [0,1,0,0,0,0|2,0,1]=4 3732 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000102301_100000212058 [0,1,0,0,0,0|2,0,1]=4 3733 B10R0.91 C#CCNC(=O)NCCCC 2708a_100000212058_100000102301 [0,1,0,0,0,0|2,0,1]=4 3734 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000102301_100000212058 [0,1,0,0,0,0|2,0,1]=4 3735 B10R0.91 C#CCNC(=O)NCCCC 273464a_100000212058_100000102301 [0,1,0,0,0,0|2,0,1]=4 3736 B10R0.91 C#CCNC(=O)NCCCC 512a_100000102301_100000212058 [0,1,0,0,0,0|2,0,1]=4 3737 B10R0.91 C#CCNC(=O)NCCCC 512a_100000212058_100000102301 [0,1,0,0,0,0|2,0,1]=4 3738 B10R0.91 C#CCNCC(=O)OCCC 34a_100000212058_200011215008 [0,1,0,0,0,0|1,0,2]=4 3739 B10R0.91 C#CCOC(C)CCCCC 34a_100000210247_200011218191 [0,1,0,0,0,0|1,0,2]=4 3740 B10R0.91 C#CCOC(C)CCCCC 34a_100011215632_100000184674 [0,1,0,0,0,0|1,0,2]=4 3741 B10R0.91 C#CCOC(C)CCCCC 7a_100011215632_100000038162 [0,1,0,0,0,0|1,0,2]=4 3742 B10R0.91 C#CCOCC(=O)OCCC 34a_100000210247_200011215008 [0,1,0,0,0,0|1,0,2]=4 3743 B10R0.91 C#CCSCC(=O)OCCC 62a_100000038162_200011215008 [0,1,0,0,0,0|1,0,2]=4 3744 B10R0.91 C/C=C/CC(=O)CCCCC 1458a_100000212188_100102629194 [0,1,0,0,0,0|1,0,1]=3 3745 B10R0.91 C/C=C/CC(=O)CCCCO 1458a_100000695505_100102629194 [0,1,0,0,0,0|2,0,1]=4 3746 B10R0.91 C/C=C/CC(=O)CCCOC 1458a_100000741012_100102629194 [0,1,0,0,0,0|2,0,1]=4 3747 B10R0.91 C/C=C/CC(=O)CCCSC 1458a_100000173376_100102629194 [0,1,0,0,0,0|2,0,1]=4 3748 B10R0.91 C/C=C/CC(=O)CCOCC 1458a_100000749530_100102629194 [0,1,0,0,0,0|2,0,1]=4 3749 B10R0.91 C/C=C/CC(=O)CCSCC 1458a_100000230768_100102629194 [0,1,0,0,0,0|2,0,1]=4 3750 B10R0.91 C/C=C/CC(=O)COCCC 1458a_100000745993_100102629194 [0,1,0,0,0,0|2,0,1]=4 3751 B10R0.91 C/C=C/CC(=O)CSCCC 1458a_100000217233_100102629194 [0,1,0,0,0,0|2,0,1]=4 3752 B10R0.91 C=C(CNCCF)OCOC 34a_100000724931_100000042856 [0,1,0,0,0,0|3,0,0]=4 3753 B10R0.91 C=C(CNCCO)OCOC 34a_100016990907_100000042856 [0,1,0,0,0,0|3,0,0]=4 3754 B10R0.91 C=C(COCCBr)OCOC 34a_100000211926_100000042856 [0,1,0,0,0,0|3,0,0]=4 3755 B10R0.91 C=C(COCCC)OCOC 34a_100000210258_100000042856 [0,1,0,0,0,0|2,0,0]=3 3756 B10R0.91 C=C(COCCN)OCOC 34a_100000210304_100000042856 [0,1,0,0,0,0|3,0,0]=4 3757 B10R0.91 C=C(CSCCC)OCOC 62a_100000042856_100000210303 [0,1,0,0,0,0|2,0,0]=3 3758 B10R0.91 C=C(CSCCC)OCOC 62a_100000210303_100000042856 [0,1,0,0,0,0|2,0,0]=3 3759 B10R0.91 C=C(CSCCF)OCOC 62a_100000042856_100011217306 [0,1,0,0,0,0|3,0,0]=4 3760 B10R0.91 C=C(CSCCF)OCOC 62a_100011217306_100000042856 [0,1,0,0,0,0|3,0,0]=4 3761 B10R0.91 C=C(CSCCO)OCOC 62a_100000042856_100000211926 [0,1,0,0,0,0|3,0,0]=4 3762 B10R0.91 C=C(CSCCO)OCOC 62a_100000211926_100000042856 [0,1,0,0,0,0|3,0,0]=4 3763 B10R0.91 C=C(CSCOC)OCOC 62a_100000042856_100000766300 [0,1,0,0,0,0|3,0,0]=4 3764 B10R0.91 C=C(CSCOC)OCOC 62a_100000766300_100000042856 [0,1,0,0,0,0|3,0,0]=4 3765 B10R0.91 C=C(CSCSC)OCOC 62a_100000042856_100011218213 [0,1,0,0,0,0|3,0,0]=4 3766 B10R0.91 C=C(CSCSC)OCOC 62a_100011218213_100000042856 [0,1,0,0,0,0|3,0,0]=4 3767 B10R0.91 C=CC=CC(=O)CCCCC 1458a_100016291481_100000210326 [0,1,0,0,0,0|1,0,2]=4 3768 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000212188_100000754431 [0,1,0,0,0,0|1,0,1]=3 3769 B10R0.91 C=CCCC(=O)CCCCC 1458a_100000749702_100000210326 [0,1,0,0,0,0|1,0,1]=3 3770 B10R0.91 C=CCCC(=O)CCCCF 1458a_100000749702_100000729493 [0,1,0,0,0,0|2,0,1]=4 3771 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000695505_100000754431 [0,1,0,0,0,0|2,0,1]=4 3772 B10R0.91 C=CCCC(=O)CCCCO 1458a_100000749702_100000210776 [0,1,0,0,0,0|2,0,1]=4 3773 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000741012_100000754431 [0,1,0,0,0,0|2,0,1]=4 3774 B10R0.91 C=CCCC(=O)CCCOC 1458a_100000749702_100000740836 [0,1,0,0,0,0|2,0,1]=4 3775 B10R0.91 C=CCCC(=O)CCCSC 1458a_100000173376_100000754431 [0,1,0,0,0,0|2,0,1]=4 3776 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749530_100000754431 [0,1,0,0,0,0|2,0,1]=4 3777 B10R0.91 C=CCCC(=O)CCOCC 1458a_100000749702_100011215890 [0,1,0,0,0,0|2,0,1]=4 3778 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000230768_100000754431 [0,1,0,0,0,0|2,0,1]=4 3779 B10R0.91 C=CCCC(=O)CCSCC 1458a_100000749702_100000757381 [0,1,0,0,0,0|2,0,1]=4 3780 B10R0.91 C=CCCC(=O)COCCC 1458a_100000745993_100000754431 [0,1,0,0,0,0|2,0,1]=4 3781 B10R0.91 C=CCCC(=O)CSCCC 1458a_100000217233_100000754431 [0,1,0,0,0,0|2,0,1]=4 3782 B10R0.91 C=CCCC(=O)NCCCC 11a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3783 B10R0.91 C=CCCC(=O)NCCCC 1626a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3784 B10R0.91 C=CCCC(=O)NCCCC 240690a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3785 B10R0.91 C=CCCC(=O)NCCCC 527a_100000102301_100000749702 [0,1,0,0,0,0|2,0,1]=4 3786 B10R0.91 C=CCCCC(=O)C#CCC 1458a_100011827653_100000757094 [0,1,0,0,0,0|1,0,2]=4 3787 B10R0.91 C=CCCCC(=O)C=CCC 1458a_100000212282_100000757094 [0,1,0,0,0,0|1,0,2]=4 3788 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000210183_100000757094 [0,1,0,0,0,0|1,0,2]=4 3789 B10R0.91 C=CCCCC(=O)CCCC 1458a_100000766728_100000210211 [0,1,0,0,0,0|1,0,2]=4 3790 B10R0.91 C=CCCCC(=O)CCCF 1458a_100000766728_100011934791 [0,1,0,0,0,0|1,0,2]=4 3791 B10R0.91 C=CCCCC(=O)CCCO 1458a_100000766728_100011215043 [0,1,0,0,0,0|1,0,2]=4 3792 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000749529_100000757094 [0,1,0,0,0,0|1,0,2]=4 3793 B10R0.91 C=CCCCC(=O)CCOC 1458a_100000766728_100000233755 [0,1,0,0,0,0|1,0,2]=4 3794 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000174002_100000757094 [0,1,0,0,0,0|1,0,2]=4 3795 B10R0.91 C=CCCCC(=O)CCSC 1458a_100000766728_100000751147 [0,1,0,0,0,0|1,0,2]=4 3796 B10R0.91 C=CCCCC(=O)COCC 1458a_100000211967_100000757094 [0,1,0,0,0,0|0,0,2]=3 3797 B10R0.91 C=CCCCC(=O)CSCC 1458a_100000230394_100000757094 [0,1,0,0,0,0|0,1,2]=4 3798 B10R0.91 C=CCCCC(=O)NCCC 11a_100020643023_100000766728 [0,1,0,0,0,0|1,0,2]=4 3799 B10R0.91 C=CCCCC(=O)NCCC 1626a_100020643023_100000766728 [0,1,0,0,0,0|1,0,2]=4 3800 B10R0.91 C=CCCCC(=O)NCCC 240690a_100020643023_100000766728 [0,1,0,0,0,0|1,0,2]=4 3801 B10R0.91 C=CCCCC(=O)NCCC 527a_100020643023_100000766728 [0,1,0,0,0,0|1,0,2]=4 3802 B10R0.91 C=CCCCC(=O)NCCF 11a_100000724931_100000766728 [0,1,0,0,0,0|1,0,2]=4 3803 B10R0.91 C=CCCCC(=O)NCCF 1626a_100000724931_100000766728 [0,1,0,0,0,0|1,0,2]=4 3804 B10R0.91 C=CCCCC(=O)NCCF 240690a_100000724931_100000766728 [0,1,0,0,0,0|1,0,2]=4 3805 B10R0.91 C=CCCCC(=O)NCCF 527a_100000724931_100000766728 [0,1,0,0,0,0|1,0,2]=4 3806 B10R0.91 C=CCCCC(=O)NCCO 240690a_100000210304_100000766728 [0,1,0,0,0,0|1,0,2]=4 3807 B10R0.91 C=CCCCC(=O)NCCO 527a_100000210304_100000766728 [0,1,0,0,0,0|1,0,2]=4 3808 B10R0.91 C=CCCCC(=O)NNCC 22a_100000756455_100000766728 [0,1,0,0,0,0|1,0,2]=4 3809 B10R0.91 C=CCCNC(=O)COCC 11a_100015191253_100000211967 [0,1,0,0,0,0|1,0,2]=4 3810 B10R0.91 C=CCCNC(=O)COCC 1626a_100015191253_100000211967 [0,1,0,0,0,0|1,0,2]=4 3811 B10R0.91 C=CCCNC(=O)COCC 240690a_100015191253_100000211967 [0,1,0,0,0,0|1,0,2]=4 3812 B10R0.91 C=CCCNC(=O)COCC 527a_100015191253_100000211967 [0,1,0,0,0,0|1,0,2]=4 3813 B10R0.91 C=CCNC(=O)CCCCC 1626a_100020586998_100000212188 [0,1,0,0,0,0|1,0,1]=3 3814 B10R0.91 C=CCNC(=O)CCCCC 240690a_100020586998_100000212188 [0,1,0,0,0,0|1,0,1]=3 3815 B10R0.91 C=CCNC(=O)CCCCC 527a_100020586998_100000212188 [0,1,0,0,0,0|1,0,1]=3 3816 B10R0.91 C=CCNC(=O)CCCCO 1626a_100020586998_100000695505 [0,1,0,0,0,0|2,0,1]=4 3817 B10R0.91 C=CCNC(=O)CCCOC 1626a_100020586998_100000741012 [0,1,0,0,0,0|2,0,1]=4 3818 B10R0.91 C=CCNC(=O)CCCOC 240690a_100020586998_100000741012 [0,1,0,0,0,0|2,0,1]=4 3819 B10R0.91 C=CCNC(=O)CCCOC 527a_100020586998_100000741012 [0,1,0,0,0,0|2,0,1]=4 3820 B10R0.91 C=CCNC(=O)CCCSC 1626a_100020586998_100000173376 [0,1,0,0,0,0|2,0,1]=4 3821 B10R0.91 C=CCNC(=O)CCCSC 240690a_100020586998_100000173376 [0,1,0,0,0,0|2,0,1]=4 3822 B10R0.91 C=CCNC(=O)CCCSC 527a_100020586998_100000173376 [0,1,0,0,0,0|2,0,1]=4 3823 B10R0.91 C=CCNC(=O)CCNCC 2230a_100015525214_100011222895 [0,1,0,0,0,0|2,0,1]=4 3824 B10R0.91 C=CCNC(=O)CCOCC 1626a_100020586998_100000749530 [0,1,0,0,0,0|2,0,1]=4 3825 B10R0.91 C=CCNC(=O)CCOCC 240690a_100020586998_100000749530 [0,1,0,0,0,0|2,0,1]=4 3826 B10R0.91 C=CCNC(=O)CCOCC 527a_100020586998_100000749530 [0,1,0,0,0,0|2,0,1]=4 3827 B10R0.91 C=CCNC(=O)CCSCC 1626a_100020586998_100000230768 [0,1,0,0,0,0|2,0,1]=4 3828 B10R0.91 C=CCNC(=O)CCSCC 240690a_100020586998_100000230768 [0,1,0,0,0,0|2,0,1]=4 3829 B10R0.91 C=CCNC(=O)CCSCC 527a_100020586998_100000230768 [0,1,0,0,0,0|2,0,1]=4 3830 B10R0.91 C=CCNC(=O)CCSCC 62a_100000210202_100011222895 [0,1,0,0,0,0|2,0,1]=4 3831 B10R0.91 C=CCNC(=O)CCSCC 62a_100011222895_100000210202 [0,1,0,0,0,0|2,0,1]=4 3832 B10R0.91 C=CCNC(=O)COCCC 1626a_100020586998_100000745993 [0,1,0,0,0,0|2,0,1]=4 3833 B10R0.91 C=CCNC(=O)COCCC 240690a_100020586998_100000745993 [0,1,0,0,0,0|2,0,1]=4 3834 B10R0.91 C=CCNC(=O)COCCC 527a_100020586998_100000745993 [0,1,0,0,0,0|2,0,1]=4 3835 B10R0.91 C=CCNC(=O)CSCCC 1626a_100020586998_100000217233 [0,1,0,0,0,0|2,0,1]=4 3836 B10R0.91 C=CCNC(=O)CSCCC 240690a_100020586998_100000217233 [0,1,0,0,0,0|2,0,1]=4 3837 B10R0.91 C=CCNC(=O)CSCCC 527a_100020586998_100000217233 [0,1,0,0,0,0|2,0,1]=4 3838 B10R0.91 C=CCNC(=O)CSCCC 62a_100000183597_100000210303 [0,1,0,0,0,0|2,0,1]=4 3839 B10R0.91 C=CCNC(=O)CSCCC 62a_100000210303_100000183597 [0,1,0,0,0,0|2,0,1]=4 3840 B10R0.91 C=CCNC(=O)NCCCC 2708a_100000102301_100020586998 [0,1,0,0,0,0|2,0,1]=4 3841 B10R0.91 C=CCNC(=O)NCCCC 273464a_100000102301_100020586998 [0,1,0,0,0,0|2,0,1]=4 3842 B10R0.91 C=CCNC(=O)NCCCC 273464a_100020586998_100000102301 [0,1,0,0,0,0|2,0,1]=4 3843 B10R0.91 C=CCNC(=O)NCCCC 512a_100000102301_100020586998 [0,1,0,0,0,0|2,0,1]=4 3844 B10R0.91 C=CCNC(=O)NCCCC 512a_100020586998_100000102301 [0,1,0,0,0,0|2,0,1]=4 3845 B10R0.91 C=CCNCC(=O)OCCC 2230a_100020586998_200011215008 [0,1,0,0,0,0|1,0,2]=4 3846 B10R0.91 C=CCOC(=O)CNCCF 34a_100000724931_100000033060 [0,1,0,0,0,0|2,0,1]=4 3847 B10R0.91 C=CCOC(=O)CNCCO 2230a_100016997473_100000033060 [0,1,0,0,0,0|2,0,1]=4 3848 B10R0.91 C=CCOC(=O)CNCCO 34a_100016990907_100000033060 [0,1,0,0,0,0|2,0,1]=4 3849 B10R0.91 C=CCOC(=O)COCCBr 34a_100000211926_100000033060 [0,1,0,0,0,0|2,0,1]=4 3850 B10R0.91 C=CCOC(=O)COCCC 34a_100000210258_100000033060 [0,1,0,0,0,0|1,0,1]=3 3851 B10R0.91 C=CCOC(=O)COCCN 34a_100000210304_100000033060 [0,1,0,0,0,0|2,0,1]=4 3852 B10R0.91 C=CCOC(=O)CSCCC 62a_100000033060_100000210303 [0,1,0,0,0,0|1,0,1]=3 3853 B10R0.91 C=CCOC(=O)CSCCC 62a_100000210303_100000033060 [0,1,0,0,0,0|1,0,1]=3 3854 B10R0.91 C=CCOC(=O)CSCCF 62a_100000033060_100011217306 [0,1,0,0,0,0|2,0,1]=4 3855 B10R0.91 C=CCOC(=O)CSCCF 62a_100011217306_100000033060 [0,1,0,0,0,0|2,0,1]=4 3856 B10R0.91 C=CCOC(=O)CSCCO 62a_100000033060_100000211926 [0,1,0,0,0,0|2,0,1]=4 3857 B10R0.91 C=CCOC(=O)CSCCO 62a_100000211926_100000033060 [0,1,0,0,0,0|2,0,1]=4 3858 B10R0.91 C=CCOC(=O)CSCOC 62a_100000033060_100000766300 [0,1,0,0,0,0|2,0,1]=4 3859 B10R0.91 C=CCOC(=O)CSCOC 62a_100000766300_100000033060 [0,1,0,0,0,0|2,0,1]=4 3860 B10R0.91 C=CCOC(=O)CSCSC 62a_100000033060_100011218213 [0,1,0,0,0,0|2,0,1]=4 3861 B10R0.91 C=CCOC(=O)CSCSC 62a_100011218213_100000033060 [0,1,0,0,0,0|2,0,1]=4 3862 B10R0.91 C=CCOC(C)CCCCC 34a_100011215632_100015514636 [0,1,0,0,0,0|1,0,2]=4 3863 B10R0.91 C=CCOC(C)CCCCC 34a_200000210373_200011218191 [0,1,0,0,0,0|1,0,2]=4 3864 B10R0.91 C=CCOC(C)CCCCC 7a_100011215632_100015514636 [0,1,0,0,0,0|1,0,2]=4 3865 B10R0.91 C=CCOCC(=O)OCCC 34a_200000210373_200011215008 [0,1,0,0,0,0|1,0,2]=4 3866 B10R0.91 C=CCSCC(=O)OCCC 62a_100000210623_200011215008 [0,1,0,0,0,0|1,0,2]=4 3867 B10R0.91 C=CCSCC(=O)OCCC 62a_200011215008_100000210623 [0,1,0,0,0,0|1,0,2]=4 3868 B10R0.91 C=COCCC(=O)COCC 1458a_100000211967_100000039644 [0,1,0,0,0,0|1,0,2]=4 3869 B10R0.91 CC#CCC(=O)CCCCC 1458a_100000212188_100000748600 [0,1,0,0,0,0|1,0,1]=3 3870 B10R0.91 CC#CCC(=O)CCCCO 1458a_100000695505_100000748600 [0,1,0,0,0,0|2,0,1]=4 3871 B10R0.91 CC#CCC(=O)CCCOC 1458a_100000741012_100000748600 [0,1,0,0,0,0|2,0,1]=4 3872 B10R0.91 CC#CCC(=O)CCCSC 1458a_100000173376_100000748600 [0,1,0,0,0,0|2,0,1]=4 3873 B10R0.91 CC#CCC(=O)CCOCC 1458a_100000749530_100000748600 [0,1,0,0,0,0|2,0,1]=4 3874 B10R0.91 CC#CCC(=O)CCSCC 1458a_100000230768_100000748600 [0,1,0,0,0,0|2,0,1]=4 3875 B10R0.91 CC#CCC(=O)COCCC 1458a_100000745993_100000748600 [0,1,0,0,0,0|2,0,1]=4 3876 B10R0.91 CC#CCC(=O)CSCCC 1458a_100000217233_100000748600 [0,1,0,0,0,0|2,0,1]=4 3877 B10R0.91 CC#CCNC(=O)COCC 11a_100000685387_100000211967 [0,1,0,0,0,0|1,0,2]=4 3878 B10R0.91 CC#CCNC(=O)COCC 1626a_100000685387_100000211967 [0,1,0,0,0,0|1,0,2]=4 3879 B10R0.91 CC#CCNC(=O)COCC 527a_100000685387_100000211967 [0,1,0,0,0,0|1,0,2]=4 3880 B10R0.91 CC/C=C/CC(=O)CCCC 1458a_100016274230_100000210211 [0,1,0,0,0,0|1,0,2]=4 3881 B10R0.91 CC/C=C/CC(=O)CCCF 1458a_100016274230_100011934791 [0,1,0,0,0,0|1,0,2]=4 3882 B10R0.91 CC/C=C/CC(=O)CCCO 1458a_100016274230_100011215043 [0,1,0,0,0,0|1,0,2]=4 3883 B10R0.91 CC/C=C/CC(=O)CCOC 1458a_100016274230_100000233755 [0,1,0,0,0,0|1,0,2]=4 3884 B10R0.91 CC/C=C/CC(=O)CCSC 1458a_100016274230_100000751147 [0,1,0,0,0,0|1,0,2]=4 3885 B10R0.91 CC/C=C/CC(=O)NCCC 11a_100020643023_100016274230 [0,1,0,0,0,0|1,0,2]=4 3886 B10R0.91 CC/C=C/CC(=O)NCCC 1626a_100020643023_100016274230 [0,1,0,0,0,0|1,0,2]=4 3887 B10R0.91 CC/C=C/CC(=O)NCCC 240690a_100020643023_100016274230 [0,1,0,0,0,0|1,0,2]=4 3888 B10R0.91 CC/C=C/CC(=O)NCCC 527a_100020643023_100016274230 [0,1,0,0,0,0|1,0,2]=4 3889 B10R0.91 CC/C=C/CC(=O)NCCF 11a_100000724931_100016274230 [0,1,0,0,0,0|1,0,2]=4 3890 B10R0.91 CC/C=C/CC(=O)NCCF 1626a_100000724931_100016274230 [0,1,0,0,0,0|1,0,2]=4 3891 B10R0.91 CC/C=C/CC(=O)NCCF 240690a_100000724931_100016274230 [0,1,0,0,0,0|1,0,2]=4 3892 B10R0.91 CC/C=C/CC(=O)NCCF 527a_100000724931_100016274230 [0,1,0,0,0,0|1,0,2]=4 3893 B10R0.91 CC/C=C/CC(=O)NCCO 240690a_100000210304_100016274230 [0,1,0,0,0,0|1,0,2]=4 3894 B10R0.91 CC/C=C/CC(=O)NCCO 527a_100000210304_100016274230 [0,1,0,0,0,0|1,0,2]=4 3895 B10R0.91 CC/C=C/CC(=O)NNCC 22a_100000756455_100016274230 [0,1,0,0,0,0|1,0,2]=4 3896 B10R0.91 CC/C=C\CC(=O)CCCC 1458a_100000210183_100103147603 [0,1,0,0,0,0|1,0,2]=4 3897 B10R0.91 CC/C=C\CC(=O)CCOC 1458a_100000749529_100103147603 [0,1,0,0,0,0|1,0,2]=4 3898 B10R0.91 CC/C=C\CC(=O)CCSC 1458a_100000174002_100103147603 [0,1,0,0,0,0|1,0,2]=4 3899 B10R0.91 CC/C=C\CC(=O)COCC 1458a_100000211967_100103147603 [0,1,0,0,0,0|0,0,2]=3 3900 B10R0.91 CC/C=C\CC(=O)CSCC 1458a_100000230394_100103147603 [0,1,0,0,0,0|0,1,2]=4 3901 B10R0.91 CC=CCC(=O)CCCCC 1458a_100000212188_100000070051 [0,1,0,0,0,0|1,0,1]=3 3902 B10R0.91 CC=CCC(=O)CCCCC 1458a_100121576822_100000210326 [0,1,0,0,0,0|1,0,1]=3 3903 B10R0.91 CC=CCC(=O)CCCCF 1458a_100121576822_100000729493 [0,1,0,0,0,0|2,0,1]=4 3904 B10R0.91 CC=CCC(=O)CCCCO 1458a_100000695505_100000070051 [0,1,0,0,0,0|2,0,1]=4 3905 B10R0.91 CC=CCC(=O)CCCCO 1458a_100121576822_100000210776 [0,1,0,0,0,0|2,0,1]=4 3906 B10R0.91 CC=CCC(=O)CCCOC 1458a_100000741012_100000070051 [0,1,0,0,0,0|2,0,1]=4 3907 B10R0.91 CC=CCC(=O)CCCOC 1458a_100121576822_100000740836 [0,1,0,0,0,0|2,0,1]=4 3908 B10R0.91 CC=CCC(=O)CCCSC 1458a_100000173376_100000070051 [0,1,0,0,0,0|2,0,1]=4 3909 B10R0.91 CC=CCC(=O)CCOCC 1458a_100000749530_100000070051 [0,1,0,0,0,0|2,0,1]=4 3910 B10R0.91 CC=CCC(=O)CCOCC 1458a_100121576822_100011215890 [0,1,0,0,0,0|2,0,1]=4 3911 B10R0.91 CC=CCC(=O)CCSCC 1458a_100000230768_100000070051 [0,1,0,0,0,0|2,0,1]=4 3912 B10R0.91 CC=CCC(=O)CCSCC 1458a_100121576822_100000757381 [0,1,0,0,0,0|2,0,1]=4 3913 B10R0.91 CC=CCC(=O)COCCC 1458a_100000745993_100000070051 [0,1,0,0,0,0|2,0,1]=4 3914 B10R0.91 CC=CCC(=O)CSCCC 1458a_100000217233_100000070051 [0,1,0,0,0,0|2,0,1]=4 3915 B10R0.91 CC=CCC(=O)NCCCC 11a_100000102301_100121576822 [0,1,0,0,0,0|2,0,1]=4 3916 B10R0.91 CC=CCC(=O)NCCCC 1626a_100000102301_100121576822 [0,1,0,0,0,0|2,0,1]=4 3917 B10R0.91 CC=CCC(=O)NCCCC 240690a_100000102301_100121576822 [0,1,0,0,0,0|2,0,1]=4 3918 B10R0.91 CC=CCC(=O)NCCCC 527a_100000102301_100121576822 [0,1,0,0,0,0|2,0,1]=4 3919 B10R0.91 CC=NNC(=O)CCCCC 4a_100000189784_200000210099 [0,1,0,0,0,0|1,0,1]=3 3920 B10R0.91 CCC#CC(=O)C/C=C\CC 1458a_100011827653_100103147603 [0,1,0,0,0,0|1,0,2]=4 3921 B10R0.91 CCC#CC(=O)CCCC#N 1458a_100011827653_100000211468 [0,1,0,0,0,0|2,0,1]=4 3922 B10R0.91 CCC#CC(=O)CCCCC 1458a_100011827653_100000210326 [0,1,0,0,0,0|1,0,0]=2 3923 B10R0.91 CCC#CC(=O)CCCCF 1458a_100011827653_100000729493 [0,1,0,0,0,0|2,0,0]=3 3924 B10R0.91 CCC#CC(=O)CCCCO 1458a_100011827653_100000210776 [0,1,0,0,0,0|2,0,0]=3 3925 B10R0.91 CCC#CC(=O)CCCOC 1458a_100011827653_100000740836 [0,1,0,0,0,0|2,0,0]=3 3926 B10R0.91 CCC#CC(=O)CCOCC 1458a_100011827653_100011215890 [0,1,0,0,0,0|2,0,0]=3 3927 B10R0.91 CCC#CC(=O)CCSCC 1458a_100011827653_100000757381 [0,1,0,0,0,0|2,0,0]=3 3928 B10R0.91 CCC#CC(=O)NNCCC 22a_100000740057_100011827653 [0,1,0,0,0,0|3,0,0]=4 3929 B10R0.91 CCC#CCC(=O)C#CCC 1458a_100011827653_100009813939 [0,1,0,0,0,0|1,0,2]=4 3930 B10R0.91 CCC#CCC(=O)C=CCC 1458a_100000212282_100009813939 [0,1,0,0,0,0|1,0,2]=4 3931 B10R0.91 CCC#CCC(=O)CCCC 1458a_100000210183_100009813939 [0,1,0,0,0,0|1,0,2]=4 3932 B10R0.91 CCC#CCC(=O)CCOC 1458a_100000749529_100009813939 [0,1,0,0,0,0|1,0,2]=4 3933 B10R0.91 CCC#CCC(=O)CCSC 1458a_100000174002_100009813939 [0,1,0,0,0,0|1,0,2]=4 3934 B10R0.91 CCC#CCC(=O)COCC 1458a_100000211967_100009813939 [0,1,0,0,0,0|0,0,2]=3 3935 B10R0.91 CCC#CCC(=O)CSCC 1458a_100000230394_100009813939 [0,1,0,0,0,0|0,1,2]=4 3936 B10R0.91 CCC=CC(=O)C/C=C\CC 1458a_100000212282_100103147603 [0,1,0,0,0,0|1,0,2]=4 3937 B10R0.91 CCC=CC(=O)CCCC#N 1458a_100000212282_100000211468 [0,1,0,0,0,0|2,0,1]=4 3938 B10R0.91 CCC=CC(=O)CCCCC 1458a_100000212282_100000210326 [0,1,0,0,0,0|1,0,0]=2 3939 B10R0.91 CCC=CC(=O)CCCCF 1458a_100000212282_100000729493 [0,1,0,0,0,0|2,0,0]=3 3940 B10R0.91 CCC=CC(=O)CCCCO 1458a_100000212282_100000210776 [0,1,0,0,0,0|2,0,0]=3 3941 B10R0.91 CCC=CC(=O)CCCOC 1458a_100000212282_100000740836 [0,1,0,0,0,0|2,0,0]=3 3942 B10R0.91 CCC=CC(=O)CCOCC 1458a_100000212282_100011215890 [0,1,0,0,0,0|2,0,0]=3 3943 B10R0.91 CCC=CC(=O)CCSCC 1458a_100000212282_100000757381 [0,1,0,0,0,0|2,0,0]=3 3944 B10R0.91 CCC=CC(=O)NCCCC 11a_100000102301_100000212282 [0,1,0,0,0,0|2,0,0]=3 3945 B10R0.91 CCC=CC(=O)NCCCC 1626a_100000102301_100000212282 [0,1,0,0,0,0|2,0,0]=3 3946 B10R0.91 CCC=CC(=O)NCCCC 240690a_100000102301_100000212282 [0,1,0,0,0,0|2,0,0]=3 3947 B10R0.91 CCC=CC(=O)NCCCF 11a_100015189416_100000212282 [0,1,0,0,0,0|3,0,0]=4 3948 B10R0.91 CCC=CC(=O)NCCCF 1626a_100015189416_100000212282 [0,1,0,0,0,0|3,0,0]=4 3949 B10R0.91 CCC=CC(=O)NCCCF 240690a_100015189416_100000212282 [0,1,0,0,0,0|3,0,0]=4 3950 B10R0.91 CCC=CC(=O)NCCCO 240690a_100000182051_100000212282 [0,1,0,0,0,0|3,0,0]=4 3951 B10R0.91 CCC=CC(=O)NCCOC 1626a_100000209980_100000212282 [0,1,0,0,0,0|3,0,0]=4 3952 B10R0.91 CCC=CC(=O)NCCOC 240690a_100000209980_100000212282 [0,1,0,0,0,0|3,0,0]=4 3953 B10R0.91 CCC=CC(=O)NCCSC 11a_100020590264_100000212282 [0,1,0,0,0,0|3,0,0]=4 3954 B10R0.91 CCC=CC(=O)NCCSC 1626a_100020590264_100000212282 [0,1,0,0,0,0|3,0,0]=4 3955 B10R0.91 CCC=CC(=O)NCCSC 240690a_100020590264_100000212282 [0,1,0,0,0,0|3,0,0]=4 3956 B10R0.91 CCC=CC(=O)NNCCC 22a_100000740057_100000212282 [0,1,0,0,0,0|3,0,0]=4 3957 B10R0.91 CCC=NNC(=O)COCC 4a_100000216846_100000210100 [0,1,0,0,0,0|2,0,1]=4 3958 B10R0.91 CCCC#CC(=O)CCCC 1458a_200011218047_100000210211 [0,1,0,0,0,0|1,0,2]=4 3959 B10R0.91 CCCC#CC(=O)CCCF 1458a_200011218047_100011934791 [0,1,0,0,0,0|1,0,2]=4 3960 B10R0.91 CCCC#CC(=O)CCCO 1458a_200011218047_100011215043 [0,1,0,0,0,0|1,0,2]=4 3961 B10R0.91 CCCC#CC(=O)CCOC 1458a_200011218047_100000233755 [0,1,0,0,0,0|1,0,2]=4 3962 B10R0.91 CCCC#CC(=O)CCSC 1458a_200011218047_100000751147 [0,1,0,0,0,0|1,0,2]=4 3963 B10R0.91 CCCC#CC(=O)NCCC 240690a_100020643023_200011218047 [0,1,0,0,0,0|1,0,2]=4 3964 B10R0.91 CCCC#CC(=O)NCCF 240690a_100000724931_200011218047 [0,1,0,0,0,0|1,0,2]=4 3965 B10R0.91 CCCC#CC(=O)NCCO 240690a_100000210304_200011218047 [0,1,0,0,0,0|1,0,2]=4 3966 B10R0.91 CCCC#CC(=O)NNCC 22a_100000756455_200011218047 [0,1,0,0,0,0|1,0,2]=4 3967 B10R0.91 CCCC=CC(=O)CCCC 1458a_100000212230_100000210211 [0,1,0,0,0,0|1,0,2]=4 3968 B10R0.91 CCCC=CC(=O)CCCF 1458a_100000212230_100011934791 [0,1,0,0,0,0|1,0,2]=4 3969 B10R0.91 CCCC=CC(=O)CCCO 1458a_100000212230_100011215043 [0,1,0,0,0,0|1,0,2]=4 3970 B10R0.91 CCCC=CC(=O)CCOC 1458a_100000212230_100000233755 [0,1,0,0,0,0|1,0,2]=4 3971 B10R0.91 CCCC=CC(=O)CCSC 1458a_100000212230_100000751147 [0,1,0,0,0,0|1,0,2]=4 3972 B10R0.91 CCCC=CC(=O)NCCC 11a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 3973 B10R0.91 CCCC=CC(=O)NCCC 1626a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 3974 B10R0.91 CCCC=CC(=O)NCCC 240690a_100020643023_100000212230 [0,1,0,0,0,0|1,0,2]=4 3975 B10R0.91 CCCC=CC(=O)NCCF 11a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 3976 B10R0.91 CCCC=CC(=O)NCCF 1626a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 3977 B10R0.91 CCCC=CC(=O)NCCF 240690a_100000724931_100000212230 [0,1,0,0,0,0|1,0,2]=4 3978 B10R0.91 CCCC=CC(=O)NCCO 240690a_100000210304_100000212230 [0,1,0,0,0,0|1,0,2]=4 3979 B10R0.91 CCCC=CC(=O)NNCC 22a_100000756455_100000212230 [0,1,0,0,0,0|1,0,2]=4 3980 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000075515_100000210211 [0,1,0,0,0,0|2,0,1]=4 3981 B10R0.91 CCCCC(=O)CCCC#N 1458a_100000210183_100000211468 [0,1,0,0,0,0|2,0,1]=4 3982 B10R0.91 CCCCC(=O)CCCCF 1458a_100000210183_100000729493 [0,1,0,0,0,0|2,0,0]=3 3983 B10R0.91 CCCCC(=O)CCCCO 1458a_100000210183_100000210776 [0,1,0,0,0,0|2,0,0]=3 3984 B10R0.91 CCCCC(=O)CCCCO 1458a_100000695505_100000210211 [0,1,0,0,0,0|2,0,0]=3 3985 B10R0.91 CCCCC(=O)CCCOC 1458a_100000210183_100000740836 [0,1,0,0,0,0|2,0,0]=3 3986 B10R0.91 CCCCC(=O)CCCOC 1458a_100000741012_100000210211 [0,1,0,0,0,0|2,0,0]=3 3987 B10R0.91 CCCCC(=O)CCCSC 1458a_100000173376_100000210211 [0,1,0,0,0,0|2,0,0]=3 3988 B10R0.91 CCCCC(=O)CCOCC 1458a_100000210183_100011215890 [0,1,0,0,0,0|2,0,0]=3 3989 B10R0.91 CCCCC(=O)CCOCC 1458a_100000749530_100000210211 [0,1,0,0,0,0|2,0,0]=3 3990 B10R0.91 CCCCC(=O)CCSCC 1458a_100000210183_100000757381 [0,1,0,0,0,0|2,0,0]=3 3991 B10R0.91 CCCCC(=O)CCSCC 1458a_100000230768_100000210211 [0,1,0,0,0,0|2,0,0]=3 3992 B10R0.91 CCCCC(=O)COCCC 1458a_100000745993_100000210211 [0,1,0,0,0,0|2,0,0]=3 3993 B10R0.91 CCCCC(=O)COCCO 1458a_100000708028_100000210211 [0,1,0,0,0,0|3,0,0]=4 3994 B10R0.91 CCCCC(=O)CSCCC 1458a_100000217233_100000210211 [0,1,0,0,0,0|2,0,0]=3 3995 B10R0.91 CCCCC(=O)NCCCF 11a_100015189416_100000210183 [0,1,0,0,0,0|3,0,0]=4 3996 B10R0.91 CCCCC(=O)NCCCF 1626a_100015189416_100000210183 [0,1,0,0,0,0|3,0,0]=4 3997 B10R0.91 CCCCC(=O)NCCCF 240690a_100015189416_100000210183 [0,1,0,0,0,0|3,0,0]=4 3998 B10R0.91 CCCCC(=O)NCCCF 527a_100015189416_100000210183 [0,1,0,0,0,0|3,0,0]=4 3999 B10R0.91 CCCCC(=O)NCCCO 240690a_100000182051_100000210183 [0,1,0,0,0,0|3,0,0]=4 4000 B10R0.91 CCCCC(=O)NCCCO 527a_100000182051_100000210183 [0,1,0,0,0,0|3,0,0]=4 4001 B10R0.91 CCCCC(=O)NCCOC 1626a_100000209980_100000210183 [0,1,0,0,0,0|3,0,0]=4 4002 B10R0.91 CCCCC(=O)NCCOC 240690a_100000209980_100000210183 [0,1,0,0,0,0|3,0,0]=4 4003 B10R0.91 CCCCC(=O)NCCOC 527a_100000209980_100000210183 [0,1,0,0,0,0|3,0,0]=4 4004 B10R0.91 CCCCC(=O)NCCSC 11a_100020590264_100000210183 [0,1,0,0,0,0|3,0,0]=4 4005 B10R0.91 CCCCC(=O)NCCSC 1626a_100020590264_100000210183 [0,1,0,0,0,0|3,0,0]=4 4006 B10R0.91 CCCCC(=O)NCCSC 240690a_100020590264_100000210183 [0,1,0,0,0,0|3,0,0]=4 4007 B10R0.91 CCCCC(=O)NCCSC 527a_100020590264_100000210183 [0,1,0,0,0,0|3,0,0]=4 4008 B10R0.91 CCCCC(=O)NNCCC 22a_100000740057_100000210183 [0,1,0,0,0,0|3,0,0]=4 4009 B10R0.91 CCCCCC(=NNCC)C 4a_100000756455_100000211708 [0,1,0,0,0,0|2,0,0]=3 4010 B10R0.91 CCCCCC(=O)C#CCO 1458a_100000049017_100000210326 [0,1,0,0,0,0|1,0,1]=3 4011 B10R0.91 CCCCCC(=O)C=COC 1458a_100016268678_100000210326 [0,1,0,0,0,0|1,0,1]=3 4012 B10R0.91 CCCCCC(=O)CCC#N 1458a_100000212188_100011215226 [0,1,0,0,0,0|1,0,1]=3 4013 B10R0.91 CCCCCC(=O)CCC#N 1458a_100011934036_100000210326 [0,1,0,0,0,0|1,0,1]=3 4014 B10R0.91 CCCCCC(=O)CCCC 1458a_100000210183_100000210326 [0,1,0,0,0,0|1,0,0]=2 4015 B10R0.91 CCCCCC(=O)CCCC 1458a_100000212188_100000210211 [0,1,0,0,0,0|1,0,0]=2 4016 B10R0.91 CCCCCC(=O)CCCF 1458a_100000212188_100011934791 [0,1,0,0,0,0|1,0,0]=2 4017 B10R0.91 CCCCCC(=O)CCCO 1458a_100000212188_100011215043 [0,1,0,0,0,0|1,0,0]=2 4018 B10R0.91 CCCCCC(=O)CCOC 1458a_100000212188_100000233755 [0,1,0,0,0,0|1,0,0]=2 4019 B10R0.91 CCCCCC(=O)CCOC 1458a_100000749529_100000210326 [0,1,0,0,0,0|1,0,0]=2 4020 B10R0.91 CCCCCC(=O)CCSC 1458a_100000174002_100000210326 [0,1,0,0,0,0|1,0,0]=2 4021 B10R0.91 CCCCCC(=O)CCSC 1458a_100000212188_100000751147 [0,1,0,0,0,0|1,0,0]=2 4022 B10R0.91 CCCCCC(=O)CNCC 2230a_100015525214_200012276598 [0,1,0,0,0,0|1,0,0]=2 4023 B10R0.91 CCCCCC(=O)COCC 1458a_100000211967_100000210326 [0,1,0,0,0,0|0,0,0]=1 4024 B10R0.91 CCCCCC(=O)COCC 34a_100121572206_200012276598 [0,1,0,0,0,0|0,0,0]=1 4025 B10R0.91 CCCCCC(=O)CSCC 1458a_100000230394_100000210326 [0,1,0,0,0,0|0,1,0]=2 4026 B10R0.91 CCCCCC(=O)CSCC 62a_100000210202_200012276598 [0,1,0,0,0,0|0,1,0]=2 4027 B10R0.91 CCCCCC(=O)CSCC 62a_200012276598_100000210202 [0,1,0,0,0,0|0,1,0]=2 4028 B10R0.91 CCCCCC(=O)CSCF 62a_100015361967_200012276598 [0,1,0,0,0,0|1,1,0]=3 4029 B10R0.91 CCCCCC(=O)CSCF 62a_200012276598_100015361967 [0,1,0,0,0,0|1,1,0]=3 4030 B10R0.91 CCCCCC(=O)NCC#N 1626a_100000734998_100000212188 [0,1,0,0,0,0|1,0,1]=3 4031 B10R0.91 CCCCCC(=O)NCC#N 527a_100000734998_100000212188 [0,1,0,0,0,0|1,0,1]=3 4032 B10R0.91 CCCCCC(=O)NCCC 11a_100020643023_100000212188 [0,1,0,0,0,0|1,0,0]=2 4033 B10R0.91 CCCCCC(=O)NCCC 1626a_100020643023_100000212188 [0,1,0,0,0,0|1,0,0]=2 4034 B10R0.91 CCCCCC(=O)NCCC 240690a_100020643023_100000212188 [0,1,0,0,0,0|1,0,0]=2 4035 B10R0.91 CCCCCC(=O)NCCC 527a_100020643023_100000212188 [0,1,0,0,0,0|1,0,0]=2 4036 B10R0.91 CCCCCC(=O)NCCF 11a_100000724931_100000212188 [0,1,0,0,0,0|1,0,0]=2 4037 B10R0.91 CCCCCC(=O)NCCF 1626a_100000724931_100000212188 [0,1,0,0,0,0|1,0,0]=2 4038 B10R0.91 CCCCCC(=O)NCCF 240690a_100000724931_100000212188 [0,1,0,0,0,0|1,0,0]=2 4039 B10R0.91 CCCCCC(=O)NCCF 527a_100000724931_100000212188 [0,1,0,0,0,0|1,0,0]=2 4040 B10R0.91 CCCCCC(=O)NCCO 240690a_100000210304_100000212188 [0,1,0,0,0,0|1,0,0]=2 4041 B10R0.91 CCCCCC(=O)NCCO 527a_100000210304_100000212188 [0,1,0,0,0,0|1,0,0]=2 4042 B10R0.91 CCCCCC(=O)NNCC 22a_100000756455_100000212188 [0,1,0,0,0,0|1,0,0]=2 4043 B10R0.91 CCCCCC(C)NCCC 2230a_100000211957_100000210303 [0,1,0,0,0,0|2,0,1]=4 4044 B10R0.91 CCCCCC(C)NCCC 270004a_100020643023_100000211708 [0,1,0,0,0,0|2,0,1]=4 4045 B10R0.91 CCCCCC(C)NCCF 2230a_100000211957_100011217306 [0,1,0,0,0,0|2,0,1]=4 4046 B10R0.91 CCCCCC(C)NCCF 34a_100000724931_200011218191 [0,1,0,0,0,0|2,0,1]=4 4047 B10R0.91 CCCCCC(C)NCCO 2230a_100000211957_100000211926 [0,1,0,0,0,0|2,0,1]=4 4048 B10R0.91 CCCCCC(C)NCCO 2230a_100016997473_200011218191 [0,1,0,0,0,0|2,0,1]=4 4049 B10R0.91 CCCCCC(C)NCCO 270004a_100000210304_100000211708 [0,1,0,0,0,0|2,0,1]=4 4050 B10R0.91 CCCCCC(C)NCCO 34a_100016990907_200011218191 [0,1,0,0,0,0|2,0,1]=4 4051 B10R0.91 CCCCCC(C)NCOC 2230a_100000211957_100000766300 [0,1,0,0,0,0|2,0,1]=4 4052 B10R0.91 CCCCCC(C)NCSC 2230a_100000211957_100011218213 [0,1,0,0,0,0|2,0,1]=4 4053 B10R0.91 CCCCCC(C)OCC#N 7a_100011215632_100011215382 [0,1,0,0,0,0|1,0,2]=4 4054 B10R0.91 CCCCCC(C)OCC=O 34a_100011215632_200009817547 [0,1,0,0,0,0|1,0,2]=4 4055 B10R0.91 CCCCCC(C)OCC=O 7a_100011215632_200015260668 [0,1,0,0,0,0|1,0,2]=4 4056 B10R0.91 CCCCCC(C)OCCBr 34a_100000211926_200011218191 [0,1,0,0,0,0|1,0,1]=3 4057 B10R0.91 CCCCCC(C)OCCC 34a_100000210258_200011218191 [0,1,0,0,0,0|1,0,1]=3 4058 B10R0.91 CCCCCC(C)OCCC 34a_100011215632_100000210303 [0,1,0,0,0,0|1,0,1]=3 4059 B10R0.91 CCCCCC(C)OCCC 7a_100011215632_100000210303 [0,1,0,0,0,0|1,0,1]=3 4060 B10R0.91 CCCCCC(C)OCCF 34a_100011215632_100011217306 [0,1,0,0,0,0|1,0,1]=3 4061 B10R0.91 CCCCCC(C)OCCF 7a_100011215632_100011217306 [0,1,0,0,0,0|1,0,1]=3 4062 B10R0.91 CCCCCC(C)OCCN 34a_100000210304_200011218191 [0,1,0,0,0,0|1,0,1]=3 4063 B10R0.91 CCCCCC(C)OCCO 34a_100011215632_100000211926 [0,1,0,0,0,0|1,0,1]=3 4064 B10R0.91 CCCCCC(C)OCCO 7a_100011215632_100000211926 [0,1,0,0,0,0|1,0,1]=3 4065 B10R0.91 CCCCCC(C)OCSC 34a_100011215632_100011218213 [0,1,0,0,0,0|1,0,1]=3 4066 B10R0.91 CCCCCC(C)SCCC 62a_100000210303_200011218191 [0,1,0,0,0,0|1,1,1]=4 4067 B10R0.91 CCCCCC(C)SCCC 62a_200011218191_100000210303 [0,1,0,0,0,0|1,1,1]=4 4068 B10R0.91 CCCCCC(C)SCCF 62a_100011217306_200011218191 [0,1,0,0,0,0|1,1,1]=4 4069 B10R0.91 CCCCCC(C)SCCF 62a_200011218191_100011217306 [0,1,0,0,0,0|1,1,1]=4 4070 B10R0.91 CCCCCC(C)SCCO 62a_100000211926_200011218191 [0,1,0,0,0,0|1,1,1]=4 4071 B10R0.91 CCCCCC(C)SCCO 62a_200011218191_100000211926 [0,1,0,0,0,0|1,1,1]=4 4072 B10R0.91 CCCCCC(C)SCOC 62a_100000766300_200011218191 [0,1,0,0,0,0|1,1,1]=4 4073 B10R0.91 CCCCCC(C)SCOC 62a_200011218191_100000766300 [0,1,0,0,0,0|1,1,1]=4 4074 B10R0.91 CCCCCC(C)SCSC 62a_100011218213_200011218191 [0,1,0,0,0,0|1,1,1]=4 4075 B10R0.91 CCCCCC(C)SCSC 62a_200011218191_100011218213 [0,1,0,0,0,0|1,1,1]=4 4076 B10R0.91 CCCCCN(C)CCCC 2230a_100000207549_100000210326 [0,1,0,0,0,0|3,0,0]=4 4077 B10R0.91 CCCCCN(C)CCCC 2230a_100000223495_100000210211 [0,1,0,0,0,0|3,0,0]=4 4078 B10R0.91 CCCCCN(C)CCCC 269982a_100000207549_100000210215 [0,1,0,0,0,0|3,0,0]=4 4079 B10R0.91 CCCCCN(C)CCCC 269982a_100000223495_100000210211 [0,1,0,0,0,0|3,0,0]=4 4080 B10R0.91 CCCCCN(C)CCCF 2230a_100000223495_100011934791 [0,1,0,0,0,0|3,0,0]=4 4081 B10R0.91 CCCCCN(C)CCCF 269982a_100000223495_100011934791 [0,1,0,0,0,0|3,0,0]=4 4082 B10R0.91 CCCCCN(C)CCCO 2230a_100000213112_100000210326 [0,1,0,0,0,0|3,0,0]=4 4083 B10R0.91 CCCCCN(C)CCCO 2230a_100000223495_100000230001 [0,1,0,0,0,0|3,0,0]=4 4084 B10R0.91 CCCCCN(C)CCCO 269982a_100000213112_100000210215 [0,1,0,0,0,0|3,0,0]=4 4085 B10R0.91 CCCCCN(C)CCCO 269982a_100000223495_100011215043 [0,1,0,0,0,0|3,0,0]=4 4086 B10R0.91 CCCCCN(C)CCOC 2230a_100000223495_100011201679 [0,1,0,0,0,0|3,0,0]=4 4087 B10R0.91 CCCCCN(C)CCOC 2230a_100000743101_100000210326 [0,1,0,0,0,0|3,0,0]=4 4088 B10R0.91 CCCCCN(C)CCOC 269982a_100000223495_100000233755 [0,1,0,0,0,0|3,0,0]=4 4089 B10R0.91 CCCCCN(C)CCOC 269982a_100000743101_100000210215 [0,1,0,0,0,0|3,0,0]=4 4090 B10R0.91 CCCCCN(C)CCSC 2230a_100000223495_100000751147 [0,1,0,0,0,0|3,0,0]=4 4091 B10R0.91 CCCCCN(C)CCSC 2230a_100000686725_100000210326 [0,1,0,0,0,0|3,0,0]=4 4092 B10R0.91 CCCCCN(C)CCSC 269982a_100000223495_100000212216 [0,1,0,0,0,0|3,0,0]=4 4093 B10R0.91 CCCCCN(C)CCSC 269982a_100000686725_100000210215 [0,1,0,0,0,0|3,0,0]=4 4094 B10R0.91 CCCCCN(C)COCC 269982a_100000223495_100000739092 [0,1,0,0,0,0|2,0,0]=3 4095 B10R0.91 CCCCNC(=O)C=COC 1626a_100000102301_100016268678 [0,1,0,0,0,0|2,0,1]=4 4096 B10R0.91 CCCCNC(=O)C=COC 240690a_100000102301_100016268678 [0,1,0,0,0,0|2,0,1]=4 4097 B10R0.91 CCCCNC(=O)CCC#N 11a_100000102301_100011934036 [0,1,0,0,0,0|2,0,1]=4 4098 B10R0.91 CCCCNC(=O)CCC#N 1626a_100000102301_100011934036 [0,1,0,0,0,0|2,0,1]=4 4099 B10R0.91 CCCCNC(=O)CCC#N 240690a_100000102301_100011934036 [0,1,0,0,0,0|2,0,1]=4 4100 B10R0.91 CCCCNC(=O)CCC#N 527a_100000102301_100011934036 [0,1,0,0,0,0|2,0,1]=4 4101 B10R0.91 CCCCNC(=O)CCCC 11a_100000102301_100000210183 [0,1,0,0,0,0|2,0,0]=3 4102 B10R0.91 CCCCNC(=O)CCCC 1626a_100000102301_100000210183 [0,1,0,0,0,0|2,0,0]=3 4103 B10R0.91 CCCCNC(=O)CCCC 240690a_100000102301_100000210183 [0,1,0,0,0,0|2,0,0]=3 4104 B10R0.91 CCCCNC(=O)CCCC 527a_100000102301_100000210183 [0,1,0,0,0,0|2,0,0]=3 4105 B10R0.91 CCCCNC(=O)CCOC 11a_100000102301_100000749529 [0,1,0,0,0,0|2,0,0]=3 4106 B10R0.91 CCCCNC(=O)CCOC 1626a_100000102301_100000749529 [0,1,0,0,0,0|2,0,0]=3 4107 B10R0.91 CCCCNC(=O)CCOC 240690a_100000102301_100000749529 [0,1,0,0,0,0|2,0,0]=3 4108 B10R0.91 CCCCNC(=O)CCOC 527a_100000102301_100000749529 [0,1,0,0,0,0|2,0,0]=3 4109 B10R0.91 CCCCNC(=O)CCSC 11a_100000102301_100000174002 [0,1,0,0,0,0|2,0,0]=3 4110 B10R0.91 CCCCNC(=O)CCSC 1626a_100000102301_100000174002 [0,1,0,0,0,0|2,0,0]=3 4111 B10R0.91 CCCCNC(=O)CCSC 240690a_100000102301_100000174002 [0,1,0,0,0,0|2,0,0]=3 4112 B10R0.91 CCCCNC(=O)CCSC 527a_100000102301_100000174002 [0,1,0,0,0,0|2,0,0]=3 4113 B10R0.91 CCCCNC(=O)CNCC 2230a_100015525214_100000182744 [0,1,0,0,0,0|2,0,0]=3 4114 B10R0.91 CCCCNC(=O)COCC 11a_100000102301_100000211967 [0,1,0,0,0,0|1,0,0]=2 4115 B10R0.91 CCCCNC(=O)COCC 1626a_100000102301_100000211967 [0,1,0,0,0,0|1,0,0]=2 4116 B10R0.91 CCCCNC(=O)COCC 240690a_100000102301_100000211967 [0,1,0,0,0,0|1,0,0]=2 4117 B10R0.91 CCCCNC(=O)COCC 34a_100121572206_100000182744 [0,1,0,0,0,0|1,0,0]=2 4118 B10R0.91 CCCCNC(=O)COCC 527a_100000102301_100000211967 [0,1,0,0,0,0|1,0,0]=2 4119 B10R0.91 CCCCNC(=O)CSCC 11a_100000102301_100000230394 [0,1,0,0,0,0|1,1,0]=3 4120 B10R0.91 CCCCNC(=O)CSCC 1626a_100000102301_100000230394 [0,1,0,0,0,0|1,1,0]=3 4121 B10R0.91 CCCCNC(=O)CSCC 240690a_100000102301_100000230394 [0,1,0,0,0,0|1,1,0]=3 4122 B10R0.91 CCCCNC(=O)CSCC 527a_100000102301_100000230394 [0,1,0,0,0,0|1,1,0]=3 4123 B10R0.91 CCCCNC(=O)CSCC 62a_100000182744_100000210202 [0,1,0,0,0,0|1,1,0]=3 4124 B10R0.91 CCCCNC(=O)CSCC 62a_100000210202_100000182744 [0,1,0,0,0,0|1,1,0]=3 4125 B10R0.91 CCCCNC(=O)CSCF 62a_100000182744_100015361967 [0,1,0,0,0,0|2,1,0]=4 4126 B10R0.91 CCCCNC(=O)CSCF 62a_100015361967_100000182744 [0,1,0,0,0,0|2,1,0]=4 4127 B10R0.91 CCCCNC(=O)NCC#N 2708a_100000734998_100000102301 [0,1,0,0,0,0|2,0,1]=4 4128 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000102301_100000734998 [0,1,0,0,0,0|2,0,1]=4 4129 B10R0.91 CCCCNC(=O)NCC#N 273464a_100000734998_100000102301 [0,1,0,0,0,0|2,0,1]=4 4130 B10R0.91 CCCCNC(=O)NCC#N 512a_100000102301_100000734998 [0,1,0,0,0,0|2,0,1]=4 4131 B10R0.91 CCCCNC(=O)NCC#N 512a_100000734998_100000102301 [0,1,0,0,0,0|2,0,1]=4 4132 B10R0.91 CCCCNC(=O)NCCC 2708a_100000102301_100020643023 [0,1,0,0,0,0|2,0,0]=3 4133 B10R0.91 CCCCNC(=O)NCCC 2708a_100020643023_100000102301 [0,1,0,0,0,0|2,0,0]=3 4134 B10R0.91 CCCCNC(=O)NCCC 273464a_100000102301_100020643023 [0,1,0,0,0,0|2,0,0]=3 4135 B10R0.91 CCCCNC(=O)NCCC 273464a_100020643023_100000102301 [0,1,0,0,0,0|2,0,0]=3 4136 B10R0.91 CCCCNC(=O)NCCC 512a_100000102301_100020643023 [0,1,0,0,0,0|2,0,0]=3 4137 B10R0.91 CCCCNC(=O)NCCC 512a_100020643023_100000102301 [0,1,0,0,0,0|2,0,0]=3 4138 B10R0.91 CCCCNC(=O)NCCF 2708a_100000102301_100000724931 [0,1,0,0,0,0|2,0,0]=3 4139 B10R0.91 CCCCNC(=O)NCCF 273464a_100000102301_100000724931 [0,1,0,0,0,0|2,0,0]=3 4140 B10R0.91 CCCCNC(=O)NCCF 273464a_100000724931_100000102301 [0,1,0,0,0,0|2,0,0]=3 4141 B10R0.91 CCCCNC(=O)NCCF 512a_100000102301_100000724931 [0,1,0,0,0,0|2,0,0]=3 4142 B10R0.91 CCCCNC(=O)NCCO 2708a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 4143 B10R0.91 CCCCNC(=O)NCCO 273464a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 4144 B10R0.91 CCCCNC(=O)NCCO 273464a_100000210304_100000102301 [0,1,0,0,0,0|2,0,0]=3 4145 B10R0.91 CCCCNC(=O)NCCO 512a_100000102301_100000210304 [0,1,0,0,0,0|2,0,0]=3 4146 B10R0.91 CCCCNC(=O)NNCC 273464a_100000102301_100000756455 [0,1,0,0,0,0|2,0,0]=3 4147 B10R0.91 CCCCNC(=O)NNCC 512a_100000102301_100000756455 [0,1,0,0,0,0|2,0,0]=3 4148 B10R0.91 CCCCNC(=O)NNCC 512a_100000756455_100000102301 [0,1,0,0,0,0|2,0,0]=3 4149 B10R0.91 CCCCOC(=O)CNCC 2230a_100015525214_100000211628 [0,1,0,0,0,0|2,0,0]=3 4150 B10R0.91 CCCCOC(=O)COCC 34a_100121572206_100000211628 [0,1,0,0,0,0|1,0,0]=2 4151 B10R0.91 CCCCOC(=O)CSCC 62a_100000210202_100000211628 [0,1,0,0,0,0|1,1,0]=3 4152 B10R0.91 CCCCOC(=O)CSCC 62a_100000211628_100000210202 [0,1,0,0,0,0|1,1,0]=3 4153 B10R0.91 CCCCOC(=O)CSCF 62a_100000211628_100015361967 [0,1,0,0,0,0|2,1,0]=4 4154 B10R0.91 CCCCOC(=O)CSCF 62a_100015361967_100000211628 [0,1,0,0,0,0|2,1,0]=4 4155 B10R0.91 CCCCOC(C)COCC 34a_100000718985_100000210210 [0,1,0,0,0,0|2,0,1]=4 4156 B10R0.91 CCCCOC(C)COCC 7a_100000718985_100000210211 [0,1,0,0,0,0|2,0,1]=4 4157 B10R0.91 CCCNC(=O)CCCC#N 11a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 4158 B10R0.91 CCCNC(=O)CCCC#N 1626a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 4159 B10R0.91 CCCNC(=O)CCCC#N 240690a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 4160 B10R0.91 CCCNC(=O)CCCC#N 527a_100020643023_100000075515 [0,1,0,0,0,0|2,0,1]=4 4161 B10R0.91 CCCNC(=O)CCCCO 1626a_100020643023_100000695505 [0,1,0,0,0,0|2,0,0]=3 4162 B10R0.91 CCCNC(=O)CCCNC 2230a_106832991635_100011194427 [0,1,0,0,0,0|2,0,0]=3 4163 B10R0.91 CCCNC(=O)CCCNC 7a_106832991635_100011194427 [0,1,0,0,0,0|2,0,0]=3 4164 B10R0.91 CCCNC(=O)CCCOC 11a_100020643023_100000741012 [0,1,0,0,0,0|2,0,0]=3 4165 B10R0.91 CCCNC(=O)CCCOC 1626a_100020643023_100000741012 [0,1,0,0,0,0|2,0,0]=3 4166 B10R0.91 CCCNC(=O)CCCOC 240690a_100020643023_100000741012 [0,1,0,0,0,0|2,0,0]=3 4167 B10R0.91 CCCNC(=O)CCCOC 527a_100020643023_100000741012 [0,1,0,0,0,0|2,0,0]=3 4168 B10R0.91 CCCNC(=O)CCCSC 11a_100020643023_100000173376 [0,1,0,0,0,0|2,0,0]=3 4169 B10R0.91 CCCNC(=O)CCCSC 1626a_100020643023_100000173376 [0,1,0,0,0,0|2,0,0]=3 4170 B10R0.91 CCCNC(=O)CCCSC 240690a_100020643023_100000173376 [0,1,0,0,0,0|2,0,0]=3 4171 B10R0.91 CCCNC(=O)CCCSC 527a_100020643023_100000173376 [0,1,0,0,0,0|2,0,0]=3 4172 B10R0.91 CCCNC(=O)CCCSC 62a_100011194427_200000210301 [0,1,0,0,0,0|2,0,0]=3 4173 B10R0.91 CCCNC(=O)CCCSC 62a_200000210301_100011194427 [0,1,0,0,0,0|2,0,0]=3 4174 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_100011194427_200025704644 [0,1,0,0,0,0|2,0,0]=3 4175 B10R0.91 CCCNC(=O)CCCS[13CH3] 62a_200025704644_100011194427 [0,1,0,0,0,0|2,0,0]=3 4176 B10R0.91 CCCNC(=O)CCOCC 11a_100020643023_100000749530 [0,1,0,0,0,0|2,0,0]=3 4177 B10R0.91 CCCNC(=O)CCOCC 1626a_100020643023_100000749530 [0,1,0,0,0,0|2,0,0]=3 4178 B10R0.91 CCCNC(=O)CCOCC 240690a_100020643023_100000749530 [0,1,0,0,0,0|2,0,0]=3 4179 B10R0.91 CCCNC(=O)CCOCC 527a_100020643023_100000749530 [0,1,0,0,0,0|2,0,0]=3 4180 B10R0.91 CCCNC(=O)CCSCC 11a_100020643023_100000230768 [0,1,0,0,0,0|2,0,0]=3 4181 B10R0.91 CCCNC(=O)CCSCC 1626a_100020643023_100000230768 [0,1,0,0,0,0|2,0,0]=3 4182 B10R0.91 CCCNC(=O)CCSCC 240690a_100020643023_100000230768 [0,1,0,0,0,0|2,0,0]=3 4183 B10R0.91 CCCNC(=O)CCSCC 527a_100020643023_100000230768 [0,1,0,0,0,0|2,0,0]=3 4184 B10R0.91 CCCNC(=O)CNCCF 2230a_100000174927_100011217306 [0,1,0,0,0,0|3,0,0]=4 4185 B10R0.91 CCCNC(=O)CNCCF 34a_100000724931_100000183358 [0,1,0,0,0,0|3,0,0]=4 4186 B10R0.91 CCCNC(=O)CNCCO 2230a_100000174927_100000211926 [0,1,0,0,0,0|3,0,0]=4 4187 B10R0.91 CCCNC(=O)CNCCO 2230a_100016997473_100000183358 [0,1,0,0,0,0|3,0,0]=4 4188 B10R0.91 CCCNC(=O)CNCCO 34a_100016990907_100000183358 [0,1,0,0,0,0|3,0,0]=4 4189 B10R0.91 CCCNC(=O)CNCOC 2230a_100000174927_100000766300 [0,1,0,0,0,0|3,0,0]=4 4190 B10R0.91 CCCNC(=O)CNCSC 2230a_100000174927_100011218213 [0,1,0,0,0,0|3,0,0]=4 4191 B10R0.91 CCCNC(=O)COCCBr 34a_100000211926_100000183358 [0,1,0,0,0,0|3,0,0]=4 4192 B10R0.91 CCCNC(=O)COCCC 11a_100020643023_100000745993 [0,1,0,0,0,0|2,0,0]=3 4193 B10R0.91 CCCNC(=O)COCCC 1626a_100020643023_100000745993 [0,1,0,0,0,0|2,0,0]=3 4194 B10R0.91 CCCNC(=O)COCCC 240690a_100020643023_100000745993 [0,1,0,0,0,0|2,0,0]=3 4195 B10R0.91 CCCNC(=O)COCCC 34a_100000210258_100000183358 [0,1,0,0,0,0|2,0,0]=3 4196 B10R0.91 CCCNC(=O)COCCC 527a_100020643023_100000745993 [0,1,0,0,0,0|2,0,0]=3 4197 B10R0.91 CCCNC(=O)COCCN 34a_100000210304_100000183358 [0,1,0,0,0,0|3,0,0]=4 4198 B10R0.91 CCCNC(=O)COCCO 1626a_100020643023_100000708028 [0,1,0,0,0,0|3,0,0]=4 4199 B10R0.91 CCCNC(=O)COCCO 240690a_100020643023_100000708028 [0,1,0,0,0,0|3,0,0]=4 4200 B10R0.91 CCCNC(=O)CSCCC 11a_100020643023_100000217233 [0,1,0,0,0,0|2,0,0]=3 4201 B10R0.91 CCCNC(=O)CSCCC 1626a_100020643023_100000217233 [0,1,0,0,0,0|2,0,0]=3 4202 B10R0.91 CCCNC(=O)CSCCC 240690a_100020643023_100000217233 [0,1,0,0,0,0|2,0,0]=3 4203 B10R0.91 CCCNC(=O)CSCCC 527a_100020643023_100000217233 [0,1,0,0,0,0|2,0,0]=3 4204 B10R0.91 CCCNC(=O)CSCCC 62a_100000183358_100000210303 [0,1,0,0,0,0|2,0,0]=3 4205 B10R0.91 CCCNC(=O)CSCCC 62a_100000210303_100000183358 [0,1,0,0,0,0|2,0,0]=3 4206 B10R0.91 CCCNC(=O)CSCCF 62a_100000183358_100011217306 [0,1,0,0,0,0|3,0,0]=4 4207 B10R0.91 CCCNC(=O)CSCCF 62a_100011217306_100000183358 [0,1,0,0,0,0|3,0,0]=4 4208 B10R0.91 CCCNC(=O)CSCCO 62a_100000183358_100000211926 [0,1,0,0,0,0|3,0,0]=4 4209 B10R0.91 CCCNC(=O)CSCCO 62a_100000211926_100000183358 [0,1,0,0,0,0|3,0,0]=4 4210 B10R0.91 CCCNC(=O)CSCOC 62a_100000183358_100000766300 [0,1,0,0,0,0|3,0,0]=4 4211 B10R0.91 CCCNC(=O)CSCOC 62a_100000766300_100000183358 [0,1,0,0,0,0|3,0,0]=4 4212 B10R0.91 CCCNC(=O)CSCSC 62a_100000183358_100011218213 [0,1,0,0,0,0|3,0,0]=4 4213 B10R0.91 CCCNC(=O)CSCSC 62a_100011218213_100000183358 [0,1,0,0,0,0|3,0,0]=4 4214 B10R0.91 CCCNC(=O)NCCCF 2708a_100015189416_100020643023 [0,1,0,0,0,0|3,0,0]=4 4215 B10R0.91 CCCNC(=O)NCCCF 2708a_100020643023_100015189416 [0,1,0,0,0,0|3,0,0]=4 4216 B10R0.91 CCCNC(=O)NCCCF 273464a_100015189416_100020643023 [0,1,0,0,0,0|3,0,0]=4 4217 B10R0.91 CCCNC(=O)NCCCF 273464a_100020643023_100015189416 [0,1,0,0,0,0|3,0,0]=4 4218 B10R0.91 CCCNC(=O)NCCCF 512a_100015189416_100020643023 [0,1,0,0,0,0|3,0,0]=4 4219 B10R0.91 CCCNC(=O)NCCCF 512a_100020643023_100015189416 [0,1,0,0,0,0|3,0,0]=4 4220 B10R0.91 CCCNC(=O)NCCCO 2708a_100020643023_100000182051 [0,1,0,0,0,0|3,0,0]=4 4221 B10R0.91 CCCNC(=O)NCCCO 273464a_100000182051_100020643023 [0,1,0,0,0,0|3,0,0]=4 4222 B10R0.91 CCCNC(=O)NCCCO 273464a_100020643023_100000182051 [0,1,0,0,0,0|3,0,0]=4 4223 B10R0.91 CCCNC(=O)NCCCO 512a_100020643023_100000182051 [0,1,0,0,0,0|3,0,0]=4 4224 B10R0.91 CCCNC(=O)NCCOC 2708a_100020643023_100000209980 [0,1,0,0,0,0|3,0,0]=4 4225 B10R0.91 CCCNC(=O)NCCOC 273464a_100000209980_100020643023 [0,1,0,0,0,0|3,0,0]=4 4226 B10R0.91 CCCNC(=O)NCCOC 273464a_100020643023_100000209980 [0,1,0,0,0,0|3,0,0]=4 4227 B10R0.91 CCCNC(=O)NCCSC 2708a_100020590264_100020643023 [0,1,0,0,0,0|3,0,0]=4 4228 B10R0.91 CCCNC(=O)NCCSC 2708a_100020643023_100020590264 [0,1,0,0,0,0|3,0,0]=4 4229 B10R0.91 CCCNC(=O)NCCSC 273464a_100020590264_100020643023 [0,1,0,0,0,0|3,0,0]=4 4230 B10R0.91 CCCNC(=O)NCCSC 273464a_100020643023_100020590264 [0,1,0,0,0,0|3,0,0]=4 4231 B10R0.91 CCCNC(=O)NCCSC 512a_100020590264_100020643023 [0,1,0,0,0,0|3,0,0]=4 4232 B10R0.91 CCCNC(=O)NCCSC 512a_100020643023_100020590264 [0,1,0,0,0,0|3,0,0]=4 4233 B10R0.91 CCCNCC(=O)NCCC 2230a_100000174927_100000210303 [0,1,0,0,0,0|2,0,0]=3 4234 B10R0.91 CCCNCC(=O)NCCF 2230a_100000725713_100000210303 [0,1,0,0,0,0|2,0,0]=3 4235 B10R0.91 CCCNCC(C)OCCC 2230a_100015185124_100000210303 [0,1,0,0,0,0|2,0,1]=4 4236 B10R0.91 CCCNCC(C)OCCC 34a_100015185124_100000210303 [0,1,0,0,0,0|2,0,1]=4 4237 B10R0.91 CCCNCC(O)COCC 2230a_102515437182_100000210303 [0,1,0,0,0,0|1,0,2]=4 4238 B10R0.91 CCCNCC(O)COCC 34a_102515437182_100000210303 [0,1,0,0,0,0|1,0,2]=4 4239 B10R0.91 CCCNNC(=O)CCOC 22a_100000740057_100000749529 [0,1,0,0,0,0|3,0,0]=4 4240 B10R0.91 CCCNNC(=O)CCSC 22a_100000740057_100000174002 [0,1,0,0,0,0|3,0,0]=4 4241 B10R0.91 CCCNNC(=O)COCC 22a_100000740057_100000211967 [0,1,0,0,0,0|2,0,0]=3 4242 B10R0.91 CCCNNC(=O)CSCC 22a_100000740057_100000230394 [0,1,0,0,0,0|2,1,0]=4 4243 B10R0.91 CCCNNC(=O)NCCC 273464a_100020643023_100000740057 [0,1,0,0,0,0|3,0,0]=4 4244 B10R0.91 CCCNNC(=O)NCCC 512a_100000740057_100020643023 [0,1,0,0,0,0|3,0,0]=4 4245 B10R0.91 CCCNNC(=O)NCCC 512a_100020643023_100000740057 [0,1,0,0,0,0|3,0,0]=4 4246 B10R0.91 CCCNNC(=O)NCCF 273464a_100000724931_100000740057 [0,1,0,0,0,0|3,0,0]=4 4247 B10R0.91 CCCNNC(=O)NCCF 512a_100000740057_100000724931 [0,1,0,0,0,0|3,0,0]=4 4248 B10R0.91 CCCNNC(=O)NCCO 273464a_100000210304_100000740057 [0,1,0,0,0,0|3,0,0]=4 4249 B10R0.91 CCCNNC(=O)NCCO 512a_100000740057_100000210304 [0,1,0,0,0,0|3,0,0]=4 4250 B10R0.91 CCCNNC(=O)NNCC 512a_100000740057_100000756455 [0,1,0,0,0,0|3,0,0]=4 4251 B10R0.91 CCCNNC(=O)NNCC 512a_100000756455_100000740057 [0,1,0,0,0,0|3,0,0]=4 4252 B10R0.91 CCCOC(=O)CNCCF 34a_100000724931_200011215008 [0,1,0,0,0,0|2,0,0]=3 4253 B10R0.91 CCCOC(=O)CNCCO 2230a_100016997473_200011215008 [0,1,0,0,0,0|2,0,0]=3 4254 B10R0.91 CCCOC(=O)CNCCO 34a_100016990907_200011215008 [0,1,0,0,0,0|2,0,0]=3 4255 B10R0.91 CCCOC(=O)COCCBr 34a_100000211926_200011215008 [0,1,0,0,0,0|2,0,0]=3 4256 B10R0.91 CCCOC(=O)COCCN 34a_100000210304_200011215008 [0,1,0,0,0,0|2,0,0]=3 4257 B10R0.91 CCCOC(=O)CSCC#N 62a_100011215382_200011215008 [0,1,0,0,0,0|2,0,1]=4 4258 B10R0.91 CCCOC(=O)CSCC#N 62a_200011215008_100011215382 [0,1,0,0,0,0|2,0,1]=4 4259 B10R0.91 CCCOC(=O)CSCC=O 62a_200011215008_200015260668 [0,1,0,0,0,0|2,0,1]=4 4260 B10R0.91 CCCOC(=O)CSCC=O 62a_200015260668_200011215008 [0,1,0,0,0,0|2,0,1]=4 4261 B10R0.91 CCCOC(=O)CSCCC 62a_100000210303_200011215008 [0,1,0,0,0,0|1,0,0]=2 4262 B10R0.91 CCCOC(=O)CSCCC 62a_200011215008_100000210303 [0,1,0,0,0,0|1,0,0]=2 4263 B10R0.91 CCCOC(=O)CSCCF 62a_100011217306_200011215008 [0,1,0,0,0,0|2,0,0]=3 4264 B10R0.91 CCCOC(=O)CSCCF 62a_200011215008_100011217306 [0,1,0,0,0,0|2,0,0]=3 4265 B10R0.91 CCCOC(=O)CSCCO 62a_100000211926_200011215008 [0,1,0,0,0,0|2,0,0]=3 4266 B10R0.91 CCCOC(=O)CSCCO 62a_200011215008_100000211926 [0,1,0,0,0,0|2,0,0]=3 4267 B10R0.91 CCCOC(=O)CSCOC 62a_100000766300_200011215008 [0,1,0,0,0,0|2,0,0]=3 4268 B10R0.91 CCCOC(=O)CSCOC 62a_200011215008_100000766300 [0,1,0,0,0,0|2,0,0]=3 4269 B10R0.91 CCCOC(=O)CSCSC 62a_100011218213_200011215008 [0,1,0,0,0,0|2,0,0]=3 4270 B10R0.91 CCCOC(=O)CSCSC 62a_200011215008_100011218213 [0,1,0,0,0,0|2,0,0]=3 4271 B10R0.91 CCCOC(=O)OCOCC 34a_100121572206_200000139673 [0,1,0,0,0,0|2,0,0]=3 4272 B10R0.91 CCCOC(=O)OCSCC 62a_100000210202_200000139673 [0,1,0,0,0,0|2,0,0]=3 4273 B10R0.91 CCCOC(=O)OCSCF 62a_100015361967_200000139673 [0,1,0,0,0,0|3,0,0]=4 4274 B10R0.91 CCCOC(C)CCCOC 34a_200011539412_100000210303 [0,1,0,0,0,0|2,0,1]=4 4275 B10R0.91 CCCOC(C)CCCOC 7a_200011539412_100000210303 [0,1,0,0,0,0|2,0,1]=4 4276 B10R0.91 CCCOCC(=O)CCC#N 1458a_100000745993_100011215226 [0,1,0,0,0,0|2,0,1]=4 4277 B10R0.91 CCCOCC(=O)CCCF 1458a_100000745993_100011934791 [0,1,0,0,0,0|2,0,0]=3 4278 B10R0.91 CCCOCC(=O)CCCO 1458a_100000745993_100011215043 [0,1,0,0,0,0|2,0,0]=3 4279 B10R0.91 CCCOCC(=O)CCOC 1458a_100000745993_100000233755 [0,1,0,0,0,0|2,0,0]=3 4280 B10R0.91 CCCOCC(=O)CCSC 1458a_100000745993_100000751147 [0,1,0,0,0,0|2,0,0]=3 4281 B10R0.91 CCCOCC(=O)NCC#N 1626a_100000734998_100000745993 [0,1,0,0,0,0|2,0,1]=4 4282 B10R0.91 CCCOCC(=O)NCC#N 527a_100000734998_100000745993 [0,1,0,0,0,0|2,0,1]=4 4283 B10R0.91 CCCOCC(=O)NCCF 11a_100000724931_100000745993 [0,1,0,0,0,0|2,0,0]=3 4284 B10R0.91 CCCOCC(=O)NCCF 1626a_100000724931_100000745993 [0,1,0,0,0,0|2,0,0]=3 4285 B10R0.91 CCCOCC(=O)NCCF 240690a_100000724931_100000745993 [0,1,0,0,0,0|2,0,0]=3 4286 B10R0.91 CCCOCC(=O)NCCF 527a_100000724931_100000745993 [0,1,0,0,0,0|2,0,0]=3 4287 B10R0.91 CCCOCC(=O)NCCO 240690a_100000210304_100000745993 [0,1,0,0,0,0|2,0,0]=3 4288 B10R0.91 CCCOCC(=O)NCCO 527a_100000210304_100000745993 [0,1,0,0,0,0|2,0,0]=3 4289 B10R0.91 CCCOCC(=O)NNCC 22a_100000756455_100000745993 [0,1,0,0,0,0|2,0,0]=3 4290 B10R0.91 CCCOCC(=O)OCCC 34a_100000210258_200011215008 [0,1,0,0,0,0|1,0,0]=2 4291 B10R0.91 CCCOC[C@@H](C)OCOC 34a_100016172286_100000210303 [0,1,0,0,0,0|2,0,1]=4 4292 B10R0.91 CCCOC[C@@H](C)OCOC 7a_100016172286_100000210303 [0,1,0,0,0,0|2,0,1]=4 4293 B10R0.91 CCCSCC(=NNCC)C 4a_100000756455_100011343953 [0,1,0,0,0,0|3,0,0]=4 4294 B10R0.91 CCCSCC(=O)CCC#N 1458a_100000217233_100011215226 [0,1,0,0,0,0|2,0,1]=4 4295 B10R0.91 CCCSCC(=O)CCCF 1458a_100000217233_100011934791 [0,1,0,0,0,0|2,0,0]=3 4296 B10R0.91 CCCSCC(=O)CCCO 1458a_100000217233_100011215043 [0,1,0,0,0,0|2,0,0]=3 4297 B10R0.91 CCCSCC(=O)CCOC 1458a_100000217233_100000233755 [0,1,0,0,0,0|2,0,0]=3 4298 B10R0.91 CCCSCC(=O)CCSC 1458a_100000217233_100000751147 [0,1,0,0,0,0|2,0,0]=3 4299 B10R0.91 CCCSCC(=O)NCC#N 1626a_100000734998_100000217233 [0,1,0,0,0,0|2,0,1]=4 4300 B10R0.91 CCCSCC(=O)NCC#N 527a_100000734998_100000217233 [0,1,0,0,0,0|2,0,1]=4 4301 B10R0.91 CCCSCC(=O)NCC#N 62a_100000210303_100000736037 [0,1,0,0,0,0|2,0,1]=4 4302 B10R0.91 CCCSCC(=O)NCC#N 62a_100000736037_100000210303 [0,1,0,0,0,0|2,0,1]=4 4303 B10R0.91 CCCSCC(=O)NCCF 11a_100000724931_100000217233 [0,1,0,0,0,0|2,0,0]=3 4304 B10R0.91 CCCSCC(=O)NCCF 1626a_100000724931_100000217233 [0,1,0,0,0,0|2,0,0]=3 4305 B10R0.91 CCCSCC(=O)NCCF 240690a_100000724931_100000217233 [0,1,0,0,0,0|2,0,0]=3 4306 B10R0.91 CCCSCC(=O)NCCF 527a_100000724931_100000217233 [0,1,0,0,0,0|2,0,0]=3 4307 B10R0.91 CCCSCC(=O)NCCO 240690a_100000210304_100000217233 [0,1,0,0,0,0|2,0,0]=3 4308 B10R0.91 CCCSCC(=O)NCCO 527a_100000210304_100000217233 [0,1,0,0,0,0|2,0,0]=3 4309 B10R0.91 CCCSCC(=O)NNCC 22a_100000756455_100000217233 [0,1,0,0,0,0|2,0,0]=3 4310 B10R0.91 CCNCC(=O)NCCOC 2230a_100000754632_100000210202 [0,1,0,0,0,0|3,0,0]=4 4311 B10R0.91 CCNCC(=O)NCCOC 2230a_100015525214_100000183275 [0,1,0,0,0,0|3,0,0]=4 4312 B10R0.91 CCNCC(=O)OCCOC 2230a_100015525214_200000040189 [0,1,0,0,0,0|3,0,0]=4 4313 B10R0.91 CCNN=C(C)CCCSC 4a_100000756455_100011399439 [0,1,0,0,0,0|3,0,0]=4 4314 B10R0.91 CCNN=C(C)CCOCC 4a_100000756455_200011216536 [0,1,0,0,0,0|3,0,0]=4 4315 B10R0.91 CCNNC(=O)CCCC#N 22a_100000756455_100000075515 [0,1,0,0,0,0|2,0,1]=4 4316 B10R0.91 CCNNC(=O)CCCOC 22a_100000756455_100000741012 [0,1,0,0,0,0|2,0,0]=3 4317 B10R0.91 CCNNC(=O)CCCSC 22a_100000756455_100000173376 [0,1,0,0,0,0|2,0,0]=3 4318 B10R0.91 CCNNC(=O)CCOCC 22a_100000756455_100000749530 [0,1,0,0,0,0|2,0,0]=3 4319 B10R0.91 CCNNC(=O)CCSCC 22a_100000756455_100000230768 [0,1,0,0,0,0|2,0,0]=3 4320 B10R0.91 CCNNC(=O)NCCCF 273464a_100015189416_100000756455 [0,1,0,0,0,0|3,0,0]=4 4321 B10R0.91 CCNNC(=O)NCCCF 512a_100000756455_100015189416 [0,1,0,0,0,0|3,0,0]=4 4322 B10R0.91 CCNNC(=O)NCCCF 512a_100015189416_100000756455 [0,1,0,0,0,0|3,0,0]=4 4323 B10R0.91 CCNNC(=O)NCCCO 273464a_100000182051_100000756455 [0,1,0,0,0,0|3,0,0]=4 4324 B10R0.91 CCNNC(=O)NCCCO 512a_100000756455_100000182051 [0,1,0,0,0,0|3,0,0]=4 4325 B10R0.91 CCNNC(=O)NCCOC 273464a_100000209980_100000756455 [0,1,0,0,0,0|3,0,0]=4 4326 B10R0.91 CCNNC(=O)NCCSC 273464a_100020590264_100000756455 [0,1,0,0,0,0|3,0,0]=4 4327 B10R0.91 CCNNC(=O)NCCSC 512a_100000756455_100020590264 [0,1,0,0,0,0|3,0,0]=4 4328 B10R0.91 CCNNC(=O)NCCSC 512a_100020590264_100000756455 [0,1,0,0,0,0|3,0,0]=4 4329 B10R0.91 CCOCC(=O)CC#CCO 1458a_100000211967_200000047223 [0,1,0,0,0,0|1,0,2]=4 4330 B10R0.91 CCOCC(=O)CCCC#N 1458a_100000211967_100000211468 [0,1,0,0,0,0|1,0,1]=3 4331 B10R0.91 CCOCC(=O)CCCCF 1458a_100000211967_100000729493 [0,1,0,0,0,0|1,0,0]=2 4332 B10R0.91 CCOCC(=O)CCCCO 1458a_100000211967_100000210776 [0,1,0,0,0,0|1,0,0]=2 4333 B10R0.91 CCOCC(=O)CCCOC 1458a_100000211967_100000740836 [0,1,0,0,0,0|1,0,0]=2 4334 B10R0.91 CCOCC(=O)CCSCC 1458a_100000211967_100000757381 [0,1,0,0,0,0|1,0,0]=2 4335 B10R0.91 CCOCC(=O)NCCC#N 11a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 4336 B10R0.91 CCOCC(=O)NCCC#N 1626a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 4337 B10R0.91 CCOCC(=O)NCCC#N 240690a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 4338 B10R0.91 CCOCC(=O)NCCC#N 527a_100000720768_100000211967 [0,1,0,0,0,0|2,0,1]=4 4339 B10R0.91 CCOCC(=O)NCCCF 11a_100015189416_100000211967 [0,1,0,0,0,0|2,0,0]=3 4340 B10R0.91 CCOCC(=O)NCCCF 1626a_100015189416_100000211967 [0,1,0,0,0,0|2,0,0]=3 4341 B10R0.91 CCOCC(=O)NCCCF 240690a_100015189416_100000211967 [0,1,0,0,0,0|2,0,0]=3 4342 B10R0.91 CCOCC(=O)NCCCF 527a_100015189416_100000211967 [0,1,0,0,0,0|2,0,0]=3 4343 B10R0.91 CCOCC(=O)NCCCO 240690a_100000182051_100000211967 [0,1,0,0,0,0|2,0,0]=3 4344 B10R0.91 CCOCC(=O)NCCCO 527a_100000182051_100000211967 [0,1,0,0,0,0|2,0,0]=3 4345 B10R0.91 CCOCC(=O)NCCOC 1626a_100000209980_100000211967 [0,1,0,0,0,0|2,0,0]=3 4346 B10R0.91 CCOCC(=O)NCCOC 240690a_100000209980_100000211967 [0,1,0,0,0,0|2,0,0]=3 4347 B10R0.91 CCOCC(=O)NCCOC 34a_100121572206_100000183275 [0,1,0,0,0,0|2,0,0]=3 4348 B10R0.91 CCOCC(=O)NCCOC 527a_100000209980_100000211967 [0,1,0,0,0,0|2,0,0]=3 4349 B10R0.91 CCOCC(=O)NCCSC 11a_100020590264_100000211967 [0,1,0,0,0,0|2,0,0]=3 4350 B10R0.91 CCOCC(=O)NCCSC 1626a_100020590264_100000211967 [0,1,0,0,0,0|2,0,0]=3 4351 B10R0.91 CCOCC(=O)NCCSC 240690a_100020590264_100000211967 [0,1,0,0,0,0|2,0,0]=3 4352 B10R0.91 CCOCC(=O)NCCSC 527a_100020590264_100000211967 [0,1,0,0,0,0|2,0,0]=3 4353 B10R0.91 CCOCC(=O)NNCCO 22a_100000210001_100000211967 [0,1,0,0,0,0|3,0,0]=4 4354 B10R0.91 CCOCC(=O)OCCOC 34a_100121572206_200000040189 [0,1,0,0,0,0|2,0,0]=3 4355 B10R0.91 CCOCCC(=O)C#CCO 1458a_100000049017_100011215890 [0,1,0,0,0,0|2,0,1]=4 4356 B10R0.91 CCOCCC(=O)C=COC 1458a_100016268678_100011215890 [0,1,0,0,0,0|2,0,1]=4 4357 B10R0.91 CCOCCC(=O)CCC#N 1458a_100000749530_100011215226 [0,1,0,0,0,0|2,0,1]=4 4358 B10R0.91 CCOCCC(=O)CCC#N 1458a_100011934036_100011215890 [0,1,0,0,0,0|2,0,1]=4 4359 B10R0.91 CCOCCC(=O)CCCF 1458a_100000749530_100011934791 [0,1,0,0,0,0|2,0,0]=3 4360 B10R0.91 CCOCCC(=O)CCCO 1458a_100000749530_100011215043 [0,1,0,0,0,0|2,0,0]=3 4361 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749529_100011215890 [0,1,0,0,0,0|2,0,0]=3 4362 B10R0.91 CCOCCC(=O)CCOC 1458a_100000749530_100000233755 [0,1,0,0,0,0|2,0,0]=3 4363 B10R0.91 CCOCCC(=O)CCSC 1458a_100000174002_100011215890 [0,1,0,0,0,0|2,0,0]=3 4364 B10R0.91 CCOCCC(=O)CCSC 1458a_100000749530_100000751147 [0,1,0,0,0,0|2,0,0]=3 4365 B10R0.91 CCOCCC(=O)COCC 1458a_100000211967_100011215890 [0,1,0,0,0,0|1,0,0]=2 4366 B10R0.91 CCOCCC(=O)CSCC 1458a_100000230394_100011215890 [0,1,0,0,0,0|1,1,0]=3 4367 B10R0.91 CCOCCC(=O)NCC#N 1626a_100000734998_100000749530 [0,1,0,0,0,0|2,0,1]=4 4368 B10R0.91 CCOCCC(=O)NCC#N 527a_100000734998_100000749530 [0,1,0,0,0,0|2,0,1]=4 4369 B10R0.91 CCOCCC(=O)NCCF 11a_100000724931_100000749530 [0,1,0,0,0,0|2,0,0]=3 4370 B10R0.91 CCOCCC(=O)NCCF 1626a_100000724931_100000749530 [0,1,0,0,0,0|2,0,0]=3 4371 B10R0.91 CCOCCC(=O)NCCF 240690a_100000724931_100000749530 [0,1,0,0,0,0|2,0,0]=3 4372 B10R0.91 CCOCCC(=O)NCCF 527a_100000724931_100000749530 [0,1,0,0,0,0|2,0,0]=3 4373 B10R0.91 CCOCCC(=O)NCCO 240690a_100000210304_100000749530 [0,1,0,0,0,0|2,0,0]=3 4374 B10R0.91 CCOCCC(=O)NCCO 527a_100000210304_100000749530 [0,1,0,0,0,0|2,0,0]=3 4375 B10R0.91 CCOCN(C)CCCCO 269982a_100000717598_100000739092 [0,1,0,0,0,0|3,0,0]=4 4376 B10R0.91 CCOCN(C)CCCOC 269982a_100000224831_100000739092 [0,1,0,0,0,0|3,0,0]=4 4377 B10R0.91 CCOC[C@@H](N)CCCCN 34a_100016993712_100000210202 [0,1,0,0,0,0|2,0,1]=4 4378 B10R0.91 CCSCC(=O)CCCC#N 1458a_100000230394_100000211468 [0,1,0,0,0,0|1,1,1]=4 4379 B10R0.91 CCSCC(=O)CCCCF 1458a_100000230394_100000729493 [0,1,0,0,0,0|1,1,0]=3 4380 B10R0.91 CCSCC(=O)CCCCO 1458a_100000230394_100000210776 [0,1,0,0,0,0|1,1,0]=3 4381 B10R0.91 CCSCC(=O)CCCOC 1458a_100000230394_100000740836 [0,1,0,0,0,0|1,1,0]=3 4382 B10R0.91 CCSCC(=O)NCCCF 11a_100015189416_100000230394 [0,1,0,0,0,0|2,1,0]=4 4383 B10R0.91 CCSCC(=O)NCCCF 1626a_100015189416_100000230394 [0,1,0,0,0,0|2,1,0]=4 4384 B10R0.91 CCSCC(=O)NCCCF 240690a_100015189416_100000230394 [0,1,0,0,0,0|2,1,0]=4 4385 B10R0.91 CCSCC(=O)NCCCF 527a_100015189416_100000230394 [0,1,0,0,0,0|2,1,0]=4 4386 B10R0.91 CCSCC(=O)NCCCO 240690a_100000182051_100000230394 [0,1,0,0,0,0|2,1,0]=4 4387 B10R0.91 CCSCC(=O)NCCCO 527a_100000182051_100000230394 [0,1,0,0,0,0|2,1,0]=4 4388 B10R0.91 CCSCC(=O)NCCOC 1626a_100000209980_100000230394 [0,1,0,0,0,0|2,1,0]=4 4389 B10R0.91 CCSCC(=O)NCCOC 240690a_100000209980_100000230394 [0,1,0,0,0,0|2,1,0]=4 4390 B10R0.91 CCSCC(=O)NCCOC 527a_100000209980_100000230394 [0,1,0,0,0,0|2,1,0]=4 4391 B10R0.91 CCSCC(=O)NCCOC 62a_100000183275_100000210202 [0,1,0,0,0,0|2,1,0]=4 4392 B10R0.91 CCSCC(=O)NCCOC 62a_100000210202_100000183275 [0,1,0,0,0,0|2,1,0]=4 4393 B10R0.91 CCSCC(=O)NCCSC 11a_100020590264_100000230394 [0,1,0,0,0,0|2,1,0]=4 4394 B10R0.91 CCSCC(=O)NCCSC 1626a_100020590264_100000230394 [0,1,0,0,0,0|2,1,0]=4 4395 B10R0.91 CCSCC(=O)NCCSC 240690a_100020590264_100000230394 [0,1,0,0,0,0|2,1,0]=4 4396 B10R0.91 CCSCC(=O)NCCSC 527a_100020590264_100000230394 [0,1,0,0,0,0|2,1,0]=4 4397 B10R0.91 CCSCC(=O)OCCOC 62a_100000210202_200000040189 [0,1,0,0,0,0|2,1,0]=4 4398 B10R0.91 CCSCC(=O)OCCOC 62a_200000040189_100000210202 [0,1,0,0,0,0|2,1,0]=4 4399 B10R0.91 CCSCCC(=O)C#CCO 1458a_100000049017_100000757381 [0,1,0,0,0,0|2,0,1]=4 4400 B10R0.91 CCSCCC(=O)C=COC 1458a_100016268678_100000757381 [0,1,0,0,0,0|2,0,1]=4 4401 B10R0.91 CCSCCC(=O)CCC#N 1458a_100000230768_100011215226 [0,1,0,0,0,0|2,0,1]=4 4402 B10R0.91 CCSCCC(=O)CCC#N 1458a_100011934036_100000757381 [0,1,0,0,0,0|2,0,1]=4 4403 B10R0.91 CCSCCC(=O)CCCF 1458a_100000230768_100011934791 [0,1,0,0,0,0|2,0,0]=3 4404 B10R0.91 CCSCCC(=O)CCCO 1458a_100000230768_100011215043 [0,1,0,0,0,0|2,0,0]=3 4405 B10R0.91 CCSCCC(=O)CCOC 1458a_100000230768_100000233755 [0,1,0,0,0,0|2,0,0]=3 4406 B10R0.91 CCSCCC(=O)CCOC 1458a_100000749529_100000757381 [0,1,0,0,0,0|2,0,0]=3 4407 B10R0.91 CCSCCC(=O)CCSC 1458a_100000174002_100000757381 [0,1,0,0,0,0|2,0,0]=3 4408 B10R0.91 CCSCCC(=O)CCSC 1458a_100000230768_100000751147 [0,1,0,0,0,0|2,0,0]=3 4409 B10R0.91 CCSCCC(=O)CSCC 1458a_100000230394_100000757381 [0,1,0,0,0,0|1,1,0]=3 4410 B10R0.91 CCSCCC(=O)NCC#N 1626a_100000734998_100000230768 [0,1,0,0,0,0|2,0,1]=4 4411 B10R0.91 CCSCCC(=O)NCC#N 527a_100000734998_100000230768 [0,1,0,0,0,0|2,0,1]=4 4412 B10R0.91 CCSCCC(=O)NCCF 11a_100000724931_100000230768 [0,1,0,0,0,0|2,0,0]=3 4413 B10R0.91 CCSCCC(=O)NCCF 1626a_100000724931_100000230768 [0,1,0,0,0,0|2,0,0]=3 4414 B10R0.91 CCSCCC(=O)NCCF 240690a_100000724931_100000230768 [0,1,0,0,0,0|2,0,0]=3 4415 B10R0.91 CCSCCC(=O)NCCF 527a_100000724931_100000230768 [0,1,0,0,0,0|2,0,0]=3 4416 B10R0.91 CCSCCC(=O)NCCO 240690a_100000210304_100000230768 [0,1,0,0,0,0|2,0,0]=3 4417 B10R0.91 CCSCCC(=O)NCCO 527a_100000210304_100000230768 [0,1,0,0,0,0|2,0,0]=3 4418 B10R0.91 COC=CC(=O)CCCCF 1458a_100016268678_100000729493 [0,1,0,0,0,0|2,0,1]=4 4419 B10R0.91 COC=CC(=O)CCCCO 1458a_100016268678_100000210776 [0,1,0,0,0,0|2,0,1]=4 4420 B10R0.91 COC=CC(=O)CCCOC 1458a_100016268678_100000740836 [0,1,0,0,0,0|2,0,1]=4 4421 B10R0.91 COCCC(=O)CCCC#N 1458a_100000075515_100000233755 [0,1,0,0,0,0|2,0,1]=4 4422 B10R0.91 COCCC(=O)CCCC#N 1458a_100000749529_100000211468 [0,1,0,0,0,0|2,0,1]=4 4423 B10R0.91 COCCC(=O)CCCCF 1458a_100000749529_100000729493 [0,1,0,0,0,0|2,0,0]=3 4424 B10R0.91 COCCC(=O)CCCCO 1458a_100000695505_100000233755 [0,1,0,0,0,0|2,0,0]=3 4425 B10R0.91 COCCC(=O)CCCCO 1458a_100000749529_100000210776 [0,1,0,0,0,0|2,0,0]=3 4426 B10R0.91 COCCC(=O)CCCSC 1458a_100000173376_100000233755 [0,1,0,0,0,0|2,0,0]=3 4427 B10R0.91 COCCC(=O)COCCO 1458a_100000708028_100000233755 [0,1,0,0,0,0|3,0,0]=4 4428 B10R0.91 COCCC(=O)NCCCF 11a_100015189416_100000749529 [0,1,0,0,0,0|3,0,0]=4 4429 B10R0.91 COCCC(=O)NCCCF 1626a_100015189416_100000749529 [0,1,0,0,0,0|3,0,0]=4 4430 B10R0.91 COCCC(=O)NCCCF 240690a_100015189416_100000749529 [0,1,0,0,0,0|3,0,0]=4 4431 B10R0.91 COCCC(=O)NCCCF 527a_100015189416_100000749529 [0,1,0,0,0,0|3,0,0]=4 4432 B10R0.91 COCCC(=O)NCCCO 240690a_100000182051_100000749529 [0,1,0,0,0,0|3,0,0]=4 4433 B10R0.91 COCCC(=O)NCCCO 527a_100000182051_100000749529 [0,1,0,0,0,0|3,0,0]=4 4434 B10R0.91 COCCC(=O)NCCSC 11a_100020590264_100000749529 [0,1,0,0,0,0|3,0,0]=4 4435 B10R0.91 COCCC(=O)NCCSC 1626a_100020590264_100000749529 [0,1,0,0,0,0|3,0,0]=4 4436 B10R0.91 COCCC(=O)NCCSC 240690a_100020590264_100000749529 [0,1,0,0,0,0|3,0,0]=4 4437 B10R0.91 COCCC(=O)NCCSC 527a_100020590264_100000749529 [0,1,0,0,0,0|3,0,0]=4 4438 B10R0.91 COCCCC(=O)C#CCO 1458a_100000049017_100000740836 [0,1,0,0,0,0|2,0,1]=4 4439 B10R0.91 COCCCC(=O)CCC#N 1458a_100000741012_100011215226 [0,1,0,0,0,0|2,0,1]=4 4440 B10R0.91 COCCCC(=O)CCC#N 1458a_100011934036_100000740836 [0,1,0,0,0,0|2,0,1]=4 4441 B10R0.91 COCCCC(=O)CCCF 1458a_100000741012_100011934791 [0,1,0,0,0,0|2,0,0]=3 4442 B10R0.91 COCCCC(=O)CCCO 1458a_100000741012_100011215043 [0,1,0,0,0,0|2,0,0]=3 4443 B10R0.91 COCCCC(=O)CCOC 1458a_100000741012_100000233755 [0,1,0,0,0,0|2,0,0]=3 4444 B10R0.91 COCCCC(=O)CCOC 1458a_100000749529_100000740836 [0,1,0,0,0,0|2,0,0]=3 4445 B10R0.91 COCCCC(=O)CCSC 1458a_100000174002_100000740836 [0,1,0,0,0,0|2,0,0]=3 4446 B10R0.91 COCCCC(=O)CCSC 1458a_100000741012_100000751147 [0,1,0,0,0,0|2,0,0]=3 4447 B10R0.91 COCCCC(=O)NCC#N 1626a_100000734998_100000741012 [0,1,0,0,0,0|2,0,1]=4 4448 B10R0.91 COCCCC(=O)NCC#N 527a_100000734998_100000741012 [0,1,0,0,0,0|2,0,1]=4 4449 B10R0.91 COCCCC(=O)NCCF 11a_100000724931_100000741012 [0,1,0,0,0,0|2,0,0]=3 4450 B10R0.91 COCCCC(=O)NCCF 1626a_100000724931_100000741012 [0,1,0,0,0,0|2,0,0]=3 4451 B10R0.91 COCCCC(=O)NCCF 240690a_100000724931_100000741012 [0,1,0,0,0,0|2,0,0]=3 4452 B10R0.91 COCCCC(=O)NCCF 527a_100000724931_100000741012 [0,1,0,0,0,0|2,0,0]=3 4453 B10R0.91 COCCCC(=O)NCCO 240690a_100000210304_100000741012 [0,1,0,0,0,0|2,0,0]=3 4454 B10R0.91 COCCCC(=O)NCCO 527a_100000210304_100000741012 [0,1,0,0,0,0|2,0,0]=3 4455 B10R0.91 COCCCC(C)OCCF 34a_200011539412_100011217306 [0,1,0,0,0,0|2,0,1]=4 4456 B10R0.91 COCCCC(C)OCCF 7a_200011539412_100011217306 [0,1,0,0,0,0|2,0,1]=4 4457 B10R0.91 COCCCC(C)OCCO 34a_200011539412_100000211926 [0,1,0,0,0,0|2,0,1]=4 4458 B10R0.91 COCCCC(C)OCCO 7a_200011539412_100000211926 [0,1,0,0,0,0|2,0,1]=4 4459 B10R0.91 COCCCC(C)OCSC 34a_200011539412_100011218213 [0,1,0,0,0,0|2,0,1]=4 4460 B10R0.91 COCCNC(=O)CCOC 1626a_100000209980_100000749529 [0,1,0,0,0,0|3,0,0]=4 4461 B10R0.91 COCCNC(=O)CCOC 240690a_100000209980_100000749529 [0,1,0,0,0,0|3,0,0]=4 4462 B10R0.91 COCCNC(=O)CCOC 527a_100000209980_100000749529 [0,1,0,0,0,0|3,0,0]=4 4463 B10R0.91 COCCNC(=O)CCSC 1626a_100000209980_100000174002 [0,1,0,0,0,0|3,0,0]=4 4464 B10R0.91 COCCNC(=O)CCSC 240690a_100000209980_100000174002 [0,1,0,0,0,0|3,0,0]=4 4465 B10R0.91 COCCNC(=O)CCSC 527a_100000209980_100000174002 [0,1,0,0,0,0|3,0,0]=4 4466 B10R0.91 COCCNC(=O)NCCF 273464a_100000209980_100000724931 [0,1,0,0,0,0|3,0,0]=4 4467 B10R0.91 COCCNC(=O)NCCF 273464a_100000724931_100000209980 [0,1,0,0,0,0|3,0,0]=4 4468 B10R0.91 COCCNC(=O)NCCO 273464a_100000209980_100000210304 [0,1,0,0,0,0|3,0,0]=4 4469 B10R0.91 COCCNC(=O)NCCO 273464a_100000210304_100000209980 [0,1,0,0,0,0|3,0,0]=4 4470 B10R0.91 COCNCC(=O)NCCF 2230a_100000725713_100000766300 [0,1,0,0,0,0|3,0,0]=4 4471 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000075515_100000751147 [0,1,0,0,0,0|2,0,1]=4 4472 B10R0.91 CSCCC(=O)CCCC#N 1458a_100000174002_100000211468 [0,1,0,0,0,0|2,0,1]=4 4473 B10R0.91 CSCCC(=O)CCCCF 1458a_100000174002_100000729493 [0,1,0,0,0,0|2,0,0]=3 4474 B10R0.91 CSCCC(=O)CCCCO 1458a_100000174002_100000210776 [0,1,0,0,0,0|2,0,0]=3 4475 B10R0.91 CSCCC(=O)CCCCO 1458a_100000695505_100000751147 [0,1,0,0,0,0|2,0,0]=3 4476 B10R0.91 CSCCC(=O)COCCO 1458a_100000708028_100000751147 [0,1,0,0,0,0|3,0,0]=4 4477 B10R0.91 CSCCC(=O)NCCCF 11a_100015189416_100000174002 [0,1,0,0,0,0|3,0,0]=4 4478 B10R0.91 CSCCC(=O)NCCCF 1626a_100015189416_100000174002 [0,1,0,0,0,0|3,0,0]=4 4479 B10R0.91 CSCCC(=O)NCCCF 240690a_100015189416_100000174002 [0,1,0,0,0,0|3,0,0]=4 4480 B10R0.91 CSCCC(=O)NCCCF 527a_100015189416_100000174002 [0,1,0,0,0,0|3,0,0]=4 4481 B10R0.91 CSCCC(=O)NCCCO 240690a_100000182051_100000174002 [0,1,0,0,0,0|3,0,0]=4 4482 B10R0.91 CSCCC(=O)NCCCO 527a_100000182051_100000174002 [0,1,0,0,0,0|3,0,0]=4 4483 B10R0.91 CSCCCC(=O)CCC#N 1458a_100000173376_100011215226 [0,1,0,0,0,0|2,0,1]=4 4484 B10R0.91 CSCCCC(=O)CCCF 1458a_100000173376_100011934791 [0,1,0,0,0,0|2,0,0]=3 4485 B10R0.91 CSCCCC(=O)CCCO 1458a_100000173376_100011215043 [0,1,0,0,0,0|2,0,0]=3 4486 B10R0.91 CSCCCC(=O)CCSC 1458a_100000173376_100000751147 [0,1,0,0,0,0|2,0,0]=3 4487 B10R0.91 CSCCCC(=O)NCC#N 1626a_100000734998_100000173376 [0,1,0,0,0,0|2,0,1]=4 4488 B10R0.91 CSCCCC(=O)NCC#N 527a_100000734998_100000173376 [0,1,0,0,0,0|2,0,1]=4 4489 B10R0.91 CSCCCC(=O)NCCF 11a_100000724931_100000173376 [0,1,0,0,0,0|2,0,0]=3 4490 B10R0.91 CSCCCC(=O)NCCF 1626a_100000724931_100000173376 [0,1,0,0,0,0|2,0,0]=3 4491 B10R0.91 CSCCCC(=O)NCCF 240690a_100000724931_100000173376 [0,1,0,0,0,0|2,0,0]=3 4492 B10R0.91 CSCCCC(=O)NCCF 527a_100000724931_100000173376 [0,1,0,0,0,0|2,0,0]=3 4493 B10R0.91 CSCCCC(=O)NCCO 240690a_100000210304_100000173376 [0,1,0,0,0,0|2,0,0]=3 4494 B10R0.91 CSCCCC(=O)NCCO 527a_100000210304_100000173376 [0,1,0,0,0,0|2,0,0]=3 4495 B10R0.91 CSCCNC(=O)CCSC 11a_100020590264_100000174002 [0,1,0,0,0,0|3,0,0]=4 4496 B10R0.91 CSCCNC(=O)CCSC 1626a_100020590264_100000174002 [0,1,0,0,0,0|3,0,0]=4 4497 B10R0.91 CSCCNC(=O)CCSC 240690a_100020590264_100000174002 [0,1,0,0,0,0|3,0,0]=4 4498 B10R0.91 CSCCNC(=O)CCSC 527a_100020590264_100000174002 [0,1,0,0,0,0|3,0,0]=4 4499 B10R0.91 CSCCNC(=O)NCCF 2708a_100020590264_100000724931 [0,1,0,0,0,0|3,0,0]=4 4500 B10R0.91 CSCCNC(=O)NCCF 273464a_100000724931_100020590264 [0,1,0,0,0,0|3,0,0]=4 4501 B10R0.91 CSCCNC(=O)NCCF 273464a_100020590264_100000724931 [0,1,0,0,0,0|3,0,0]=4 4502 B10R0.91 CSCCNC(=O)NCCF 512a_100020590264_100000724931 [0,1,0,0,0,0|3,0,0]=4 4503 B10R0.91 CSCCNC(=O)NCCO 2708a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 4504 B10R0.91 CSCCNC(=O)NCCO 273464a_100000210304_100020590264 [0,1,0,0,0,0|3,0,0]=4 4505 B10R0.91 CSCCNC(=O)NCCO 273464a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 4506 B10R0.91 CSCCNC(=O)NCCO 512a_100020590264_100000210304 [0,1,0,0,0,0|3,0,0]=4 4507 B10R0.91 CSCNCC(=O)NCCF 2230a_100000725713_100011218213 [0,1,0,0,0,0|3,0,0]=4 4508 B10R0.91 N#CCCC(=O)CCCCF 1458a_100011934036_100000729493 [0,1,0,0,0,0|2,0,1]=4 4509 B10R0.91 N#CCCC(=O)CCCCO 1458a_100000695505_100011215226 [0,1,0,0,0,0|2,0,1]=4 4510 B10R0.91 N#CCCC(=O)CCCCO 1458a_100011934036_100000210776 [0,1,0,0,0,0|2,0,1]=4 4511 B10R0.91 N#CCCCC(=O)CCCF 1458a_100000075515_100011934791 [0,1,0,0,0,0|2,0,1]=4 4512 B10R0.91 N#CCCCC(=O)CCCO 1458a_100000075515_100011215043 [0,1,0,0,0,0|2,0,1]=4 4513 B10R0.91 N#CCCCC(=O)NCCF 11a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 4514 B10R0.91 N#CCCCC(=O)NCCF 1626a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 4515 B10R0.91 N#CCCCC(=O)NCCF 240690a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 4516 B10R0.91 N#CCCCC(=O)NCCF 527a_100000724931_100000075515 [0,1,0,0,0,0|2,0,1]=4 4517 B10R0.91 N#CCCCC(=O)NCCO 240690a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 4518 B10R0.91 N#CCCCC(=O)NCCO 527a_100000210304_100000075515 [0,1,0,0,0,0|2,0,1]=4 4519 B10R0.91 N#CCNC(=O)CCCCO 1626a_100000734998_100000695505 [0,1,0,0,0,0|2,0,1]=4 4520 B10R0.91 O=C(C#CCO)CCCCF 1458a_100000049017_100000729493 [0,1,0,0,0,0|2,0,1]=4 4521 B10R0.91 O=C(C#CCO)CCCCO 1458a_100000049017_100000210776 [0,1,0,0,0,0|2,0,1]=4 4522 B10R0.91 O=C(CCCCO)NCCF 1626a_100000724931_100000695505 [0,1,0,0,0,0|2,0,0]=3 4523 B10R0.91 O=C(CCCF)CCCCO 1458a_100000695505_100011934791 [0,1,0,0,0,0|2,0,0]=3 4524 B10R0.91 O=C(CCCF)COCCO 1458a_100000708028_100011934791 [0,1,0,0,0,0|3,0,0]=4 4525 B10R0.91 O=C(CCCO)CCCCO 1458a_100000695505_100011215043 [0,1,0,0,0,0|2,0,0]=3 4526 B10R0.91 O=C(CCCO)COCCO 1458a_100000708028_100011215043 [0,1,0,0,0,0|3,0,0]=4 4527 B10R0.91 O=C(CNCCF)NCCF 2230a_100000725713_100011217306 [0,1,0,0,0,0|3,0,0]=4 4528 B10R0.91 O=C(CNCCO)NCCF 2230a_100000725713_100000211926 [0,1,0,0,0,0|3,0,0]=4 4529 B10R0.91 O=C(COCCO)NCCF 1626a_100000724931_100000708028 [0,1,0,0,0,0|3,0,0]=4 4530 B10R0.91 O=C(COCCO)NCCF 240690a_100000724931_100000708028 [0,1,0,0,0,0|3,0,0]=4 4531 B10R0.91 O=C(COCCO)NCCO 240690a_100000210304_100000708028 [0,1,0,0,0,0|3,0,0]=4 4532 B10R0.91 O=C(NCCF)NCCCF 2708a_100015189416_100000724931 [0,1,0,0,0,0|3,0,0]=4 4533 B10R0.91 O=C(NCCF)NCCCF 273464a_100000724931_100015189416 [0,1,0,0,0,0|3,0,0]=4 4534 B10R0.91 O=C(NCCF)NCCCF 273464a_100015189416_100000724931 [0,1,0,0,0,0|3,0,0]=4 4535 B10R0.91 O=C(NCCF)NCCCF 512a_100015189416_100000724931 [0,1,0,0,0,0|3,0,0]=4 4536 B10R0.91 O=C(NCCF)NCCCO 273464a_100000182051_100000724931 [0,1,0,0,0,0|3,0,0]=4 4537 B10R0.91 O=C(NCCF)NCCCO 273464a_100000724931_100000182051 [0,1,0,0,0,0|3,0,0]=4 4538 B10R0.91 O=C(NCCO)NCCCF 2708a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 4539 B10R0.91 O=C(NCCO)NCCCF 273464a_100000210304_100015189416 [0,1,0,0,0,0|3,0,0]=4 4540 B10R0.91 O=C(NCCO)NCCCF 273464a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 4541 B10R0.91 O=C(NCCO)NCCCF 512a_100015189416_100000210304 [0,1,0,0,0,0|3,0,0]=4 4542 B10R0.91 O=C(NCCO)NCCCO 273464a_100000182051_100000210304 [0,1,0,0,0,0|3,0,0]=4 4543 B10R0.91 O=C(NCCO)NCCCO 273464a_100000210304_100000182051 [0,1,0,0,0,0|3,0,0]=4 4544 B10R0.108 C#CC(C)NCC(=O)OCC 2230a_100000707721_100000188475 [0,1,0,0,0,0|1,0,2]=4 4545 B10R0.108 C#CC(C)NCC(=O)OCC 34a_100000707721_100000188475 [0,1,0,0,0,0|1,0,2]=4 4546 B10R0.108 C#CC(C)SCC(=O)OCC 62a_200000035995_100000188475 [0,1,0,0,0,0|1,0,2]=4 4547 B10R0.108 C#CCC(=O)CCC(C)CC 1458a_100000701222_100000184674 [0,1,0,0,0,0|1,0,2]=4 4548 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 34a_100009815206_100000188475 [0,1,0,0,0,0|1,0,2]=4 4549 B10R0.108 C#C[C@@H](C)OCC(=O)OCC 7a_100009815206_100000188475 [0,1,0,0,0,0|1,0,2]=4 4550 B10R0.108 C=CC(C)OCC(=O)OCC 34a_100000695699_100000188475 [0,1,0,0,0,0|1,0,2]=4 4551 B10R0.108 C=CC(C)SCC(=O)OCC 62a_100011215867_100000188475 [0,1,0,0,0,0|1,0,2]=4 4552 B10R0.108 C=CCC(=O)CCC(C)CC 1458a_100000701222_100000210623 [0,1,0,0,0,0|1,0,2]=4 4553 B10R0.108 C=COC(=O)CNC(C)CC 2230a_100000209981_100000036128 [0,1,0,0,0,0|1,0,2]=4 4554 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000036128_100000758301 [0,1,0,0,0,0|1,0,2]=4 4555 B10R0.108 C=COC(=O)CSC(C)CC 62a_100000758301_100000036128 [0,1,0,0,0,0|1,0,2]=4 4556 B10R0.108 CC=CC(=O)NCC(C)CC 11a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 4557 B10R0.108 CC=CC(=O)NCC(C)CC 1626a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 4558 B10R0.108 CC=CC(=O)NCC(C)CC 240690a_100020588543_100000210699 [0,1,0,0,0,0|2,0,1]=4 4559 B10R0.108 CC=CC(=O)NCC(O)CC 11a_100011218483_100000210699 [0,1,0,0,0,0|2,0,1]=4 4560 B10R0.108 CC=CC(=O)NCC(O)CC 240690a_100011218483_100000210699 [0,1,0,0,0,0|2,0,1]=4 4561 B10R0.108 CCC(C)CCC(=O)CC#N 1458a_100000701222_100011214920 [0,1,0,0,0,0|2,0,1]=4 4562 B10R0.108 CCC(C)CCC(=O)CCF 1458a_100000701222_100011217306 [0,1,0,0,0,0|2,0,0]=3 4563 B10R0.108 CCC(C)CCC(=O)CCO 1458a_100000701222_100000211926 [0,1,0,0,0,0|2,0,0]=3 4564 B10R0.108 CCC(C)CCC(=O)NNC 22a_100016993582_100000701222 [0,1,0,0,0,0|2,0,0]=3 4565 B10R0.108 CCC(C)CCC(C)OCF 7a_200011216552_100015361967 [0,1,0,0,0,0|2,0,1]=4 4566 B10R0.108 CCC(C)CNC(=O)CCO 240690a_100020588543_100011216618 [0,1,0,0,0,0|3,0,0]=4 4567 B10R0.108 CCC(C)CNC(=O)COC 11a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 4568 B10R0.108 CCC(C)CNC(=O)COC 1626a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 4569 B10R0.108 CCC(C)CNC(=O)COC 240690a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 4570 B10R0.108 CCC(C)CNC(=O)COC 527a_100020588543_100000210968 [0,1,0,0,0,0|3,0,0]=4 4571 B10R0.108 CCC(C)CNC(=O)CSC 11a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 4572 B10R0.108 CCC(C)CNC(=O)CSC 1626a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 4573 B10R0.108 CCC(C)CNC(=O)CSC 240690a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 4574 B10R0.108 CCC(C)CNC(=O)CSC 527a_100020588543_100000184570 [0,1,0,0,0,0|3,0,0]=4 4575 B10R0.108 CCC(C)CNC(=O)NNC 273464a_100020588543_100016993582 [0,1,0,0,0,0|3,0,0]=4 4576 B10R0.108 CCC(C)CNC(=O)NNC 512a_100016993582_100020588543 [0,1,0,0,0,0|3,0,0]=4 4577 B10R0.108 CCC(C)CNC(=O)NNC 512a_100020588543_100016993582 [0,1,0,0,0,0|3,0,0]=4 4578 B10R0.108 CCC(C)NCC(=O)NCO 2230a_100000209981_100000185155 [0,1,0,0,0,0|3,0,0]=4 4579 B10R0.108 CCC(C)OCC(=O)NCO 7a_100000210228_100000185155 [0,1,0,0,0,0|3,0,0]=4 4580 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000185155_100000758301 [0,1,0,0,0,0|3,0,0]=4 4581 B10R0.108 CCC(C)SCC(=O)NCO 62a_100000758301_100000185155 [0,1,0,0,0,0|3,0,0]=4 4582 B10R0.108 CCC(O)CCC(=O)NNC 22a_100016993582_203496584001 [0,1,0,0,0,0|2,0,0]=3 4583 B10R0.108 CCC(O)CNC(=O)CCO 240690a_100011218483_100011216618 [0,1,0,0,0,0|3,0,0]=4 4584 B10R0.108 CCC(O)CNC(=O)COC 11a_100011218483_100000210968 [0,1,0,0,0,0|3,0,0]=4 4585 B10R0.108 CCC(O)CNC(=O)COC 240690a_100011218483_100000210968 [0,1,0,0,0,0|3,0,0]=4 4586 B10R0.108 CCC(O)CNC(=O)COC 527a_100011218483_100000210968 [0,1,0,0,0,0|3,0,0]=4 4587 B10R0.108 CCC(O)CNC(=O)CSC 11a_100011218483_100000184570 [0,1,0,0,0,0|3,0,0]=4 4588 B10R0.108 CCC(O)CNC(=O)CSC 240690a_100011218483_100000184570 [0,1,0,0,0,0|3,0,0]=4 4589 B10R0.108 CCC(O)CNC(=O)CSC 527a_100011218483_100000184570 [0,1,0,0,0,0|3,0,0]=4 4590 B10R0.108 CCC(O)CNC(=O)NNC 273464a_100011218483_100016993582 [0,1,0,0,0,0|3,0,0]=4 4591 B10R0.108 CCC(O)CNC(=O)NNC 512a_100011218483_100016993582 [0,1,0,0,0,0|3,0,0]=4 4592 B10R0.108 CCCC(=O)CCC(=O)NC 1458a_100011309844_100000210303 [0,1,0,0,0,0|2,0,1]=4 4593 B10R0.108 CCCC(=O)CCC(=O)OC 1458a_100000187943_100000210303 [0,1,0,0,0,0|2,0,1]=4 4594 B10R0.108 CCCC(=O)CCC(C)CC 1458a_100000701222_100000210303 [0,1,0,0,0,0|1,0,0]=2 4595 B10R0.108 CCCC(=O)CCN(C)CC 1458a_100000755305_100000210303 [0,1,0,0,0,0|2,0,0]=3 4596 B10R0.108 CCCC(=O)CCS(=O)CC 1458a_100011387550_100000210303 [0,1,0,0,0,0|2,0,0]=3 4597 B10R0.108 CCCC(=O)CNC(=O)CC 1458a_100000194589_100000210303 [0,1,0,0,0,0|2,0,1]=4 4598 B10R0.108 CCCC(=O)CNC(C)CC 2230a_100000209981_100000747444 [0,1,0,0,0,0|2,0,0]=3 4599 B10R0.108 CCCC(=O)CN[C@H](C)CO 2230a_100000737577_100000747444 [0,1,0,0,0,0|3,0,0]=4 4600 B10R0.108 CCCC(=O)COC(C)CC 7a_100000210228_100000747444 [0,1,0,0,0,0|2,0,0]=3 4601 B10R0.108 CCCC(=O)COC(C)CF 7a_100016041109_100000747444 [0,1,0,0,0,0|3,0,0]=4 4602 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000747444_100000758301 [0,1,0,0,0,0|2,0,0]=3 4603 B10R0.108 CCCC(=O)CSC(C)CC 62a_100000758301_100000747444 [0,1,0,0,0,0|2,0,0]=3 4604 B10R0.108 CCCC(=O)CSC(C)CO 62a_100012180447_100000747444 [0,1,0,0,0,0|3,0,0]=4 4605 B10R0.108 CCCC(=O)CSC(C)OC 62a_100000747444_100009879195 [0,1,0,0,0,0|3,0,0]=4 4606 B10R0.108 CCCC(=O)CSC(C)OC 62a_100009879195_100000747444 [0,1,0,0,0,0|3,0,0]=4 4607 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100000747444_100016084084 [0,1,0,0,0,0|3,0,0]=4 4608 B10R0.108 CCCC(=O)CS[C@H](C)CO 62a_100016084084_100000747444 [0,1,0,0,0,0|3,0,0]=4 4609 B10R0.108 CCCC(=O)NCC(C)CC 11a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 4610 B10R0.108 CCCC(=O)NCC(C)CC 1626a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 4611 B10R0.108 CCCC(=O)NCC(C)CC 240690a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 4612 B10R0.108 CCCC(=O)NCC(C)CC 527a_100020588543_100000211992 [0,1,0,0,0,0|2,0,0]=3 4613 B10R0.108 CCCC(=O)NCC(C)CO 240690a_100000744482_100000211992 [0,1,0,0,0,0|3,0,0]=4 4614 B10R0.108 CCCC(=O)NCC(C)CO 527a_100000744482_100000211992 [0,1,0,0,0,0|3,0,0]=4 4615 B10R0.108 CCCC(=O)NCC(O)CC 11a_100011218483_100000211992 [0,1,0,0,0,0|2,0,0]=3 4616 B10R0.108 CCCC(=O)NCC(O)CC 240690a_100011218483_100000211992 [0,1,0,0,0,0|2,0,0]=3 4617 B10R0.108 CCCC(=O)NCC(O)CC 527a_100011218483_100000211992 [0,1,0,0,0,0|2,0,0]=3 4618 B10R0.108 CCCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211992 [0,1,0,0,0,0|3,0,0]=4 4619 B10R0.108 CCCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211992 [0,1,0,0,0,0|3,0,0]=4 4620 B10R0.108 CCCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211992 [0,1,0,0,0,0|3,0,0]=4 4621 B10R0.108 CCCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211992 [0,1,0,0,0,0|3,0,0]=4 4622 B10R0.108 CCCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211992 [0,1,0,0,0,0|3,0,0]=4 4623 B10R0.108 CCCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211992 [0,1,0,0,0,0|3,0,0]=4 4624 B10R0.108 CCCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211992 [0,1,0,0,0,0|3,0,0]=4 4625 B10R0.108 CCCC(=O)NC[C@H](O)CO 527a_100020644852_100000211992 [0,1,0,0,0,0|3,0,0]=4 4626 B10R0.108 CCCC(=O)NNC(C)CC 22a_100000718999_100000211992 [0,1,0,0,0,0|3,0,0]=4 4627 B10R0.108 CCCC(=O)OCC(=O)CC 1458a_100000210414_100000034017 [0,1,0,0,0,0|2,0,1]=4 4628 B10R0.108 CCCC(=O)OCN(C)CC 2230a_100000225621_100000034017 [0,1,0,0,0,0|3,0,0]=4 4629 B10R0.108 CCCC(=O)OCN(C)CC 269982a_100000225621_100000034017 [0,1,0,0,0,0|3,0,0]=4 4630 B10R0.108 CCN(C)CCC(=O)CCF 1458a_100000755305_100011217306 [0,1,0,0,0,0|3,0,0]=4 4631 B10R0.108 CCN(C)CCC(=O)CCO 1458a_100000755305_100000211926 [0,1,0,0,0,0|3,0,0]=4 4632 B10R0.108 CCN(C)CCC(=O)NNC 22a_100016993582_100000755305 [0,1,0,0,0,0|3,0,0]=4 4633 B10R0.108 CCNC(=O)CCC(=O)CC 1458a_100000199579_100000210202 [0,1,0,0,0,0|1,0,1]=3 4634 B10R0.108 CCNC(=O)CCC(=O)CF 1458a_100000199579_100015361967 [0,1,0,0,0,0|2,0,1]=4 4635 B10R0.108 CCNC(=O)CCC(=O)NC 11a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 4636 B10R0.108 CCNC(=O)CCC(=O)NC 11a_106832991635_100000199579 [0,1,0,0,0,0|2,0,1]=4 4637 B10R0.108 CCNC(=O)CCC(=O)NC 1626a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 4638 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 4639 B10R0.108 CCNC(=O)CCC(=O)NC 240690a_100102657272_100000199579 [0,1,0,0,0,0|2,0,1]=4 4640 B10R0.108 CCNC(=O)CCC(=O)NC 527a_100015525214_100011309844 [0,1,0,0,0,0|2,0,1]=4 4641 B10R0.108 CCNC(=O)CCC(=O)OC 11a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 4642 B10R0.108 CCNC(=O)CCC(=O)OC 240690a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 4643 B10R0.108 CCNC(=O)CCC(=O)OC 527a_100015525214_100000187943 [0,1,0,0,0,0|2,0,1]=4 4644 B10R0.108 CCNC(=O)CCC(C)CC 11a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 4645 B10R0.108 CCNC(=O)CCC(C)CC 240690a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 4646 B10R0.108 CCNC(=O)CCC(C)CC 527a_100015525214_100000701222 [0,1,0,0,0,0|1,0,0]=2 4647 B10R0.108 CCNC(=O)CCC(O)CC 240690a_100015525214_203496584001 [0,1,0,0,0,0|1,0,0]=2 4648 B10R0.108 CCNC(=O)CCN(C)CC 2230a_100000225621_100000737597 [0,1,0,0,0,0|2,0,0]=3 4649 B10R0.108 CCNC(=O)CCN(C)CC 240690a_100015525214_100000755305 [0,1,0,0,0,0|2,0,0]=3 4650 B10R0.108 CCNC(=O)CCN(C)CC 269982a_100000225621_100000737597 [0,1,0,0,0,0|2,0,0]=3 4651 B10R0.108 CCNC(=O)CCS(=O)CC 11a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 4652 B10R0.108 CCNC(=O)CCS(=O)CC 240690a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 4653 B10R0.108 CCNC(=O)CCS(=O)CC 527a_100015525214_100011387550 [0,1,0,0,0,0|2,0,0]=3 4654 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 4655 B10R0.108 CCNC(=O)CNC(=O)CC 11a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 4656 B10R0.108 CCNC(=O)CNC(=O)CC 1626a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 4657 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 4658 B10R0.108 CCNC(=O)CNC(=O)CC 240690a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 4659 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100015525214_100000194589 [0,1,0,0,0,0|2,0,1]=4 4660 B10R0.108 CCNC(=O)CNC(=O)CC 527a_100016988866_100000210414 [0,1,0,0,0,0|2,0,1]=4 4661 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100000209981_100000183381 [0,1,0,0,0,0|2,0,0]=3 4662 B10R0.108 CCNC(=O)CNC(C)CC 2230a_100016988866_100000758301 [0,1,0,0,0,0|2,0,0]=3 4663 B10R0.108 CCNC(=O)CNC(C)CO 2230a_100016988866_100012180447 [0,1,0,0,0,0|3,0,0]=4 4664 B10R0.108 CCNC(=O)CN[C@H](C)CO 2230a_100000737577_100000183381 [0,1,0,0,0,0|3,0,0]=4 4665 B10R0.108 CCNC(=O)COC(C)CC 7a_100000210228_100000183381 [0,1,0,0,0,0|2,0,0]=3 4666 B10R0.108 CCNC(=O)COC(C)CF 34a_100016041109_100000183381 [0,1,0,0,0,0|3,0,0]=4 4667 B10R0.108 CCNC(=O)COC(C)CF 7a_100016041109_100000183381 [0,1,0,0,0,0|3,0,0]=4 4668 B10R0.108 CCNC(=O)COC(C)CN 34a_100000210904_100000183381 [0,1,0,0,0,0|3,0,0]=4 4669 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000183381_100000758301 [0,1,0,0,0,0|2,0,0]=3 4670 B10R0.108 CCNC(=O)CSC(C)CC 62a_100000758301_100000183381 [0,1,0,0,0,0|2,0,0]=3 4671 B10R0.108 CCNC(=O)CSC(C)CO 62a_100012180447_100000183381 [0,1,0,0,0,0|3,0,0]=4 4672 B10R0.108 CCNC(=O)CSC(C)OC 62a_100000183381_100009879195 [0,1,0,0,0,0|3,0,0]=4 4673 B10R0.108 CCNC(=O)CSC(C)OC 62a_100009879195_100000183381 [0,1,0,0,0,0|3,0,0]=4 4674 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100000183381_100016084084 [0,1,0,0,0,0|3,0,0]=4 4675 B10R0.108 CCNC(=O)CS[C@H](C)CO 62a_100016084084_100000183381 [0,1,0,0,0,0|3,0,0]=4 4676 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 4677 B10R0.108 CCNC(=O)NCC(C)CC 2708a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 4678 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 4679 B10R0.108 CCNC(=O)NCC(C)CC 273464a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 4680 B10R0.108 CCNC(=O)NCC(C)CC 512a_100015525214_100020588543 [0,1,0,0,0,0|2,0,0]=3 4681 B10R0.108 CCNC(=O)NCC(C)CC 512a_100020588543_100015525214 [0,1,0,0,0,0|2,0,0]=3 4682 B10R0.108 CCNC(=O)NCC(C)CO 2708a_100015525214_100000744482 [0,1,0,0,0,0|3,0,0]=4 4683 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100000744482_100015525214 [0,1,0,0,0,0|3,0,0]=4 4684 B10R0.108 CCNC(=O)NCC(C)CO 273464a_100015525214_100000744482 [0,1,0,0,0,0|3,0,0]=4 4685 B10R0.108 CCNC(=O)NCC(C)CO 512a_100000744482_100015525214 [0,1,0,0,0,0|3,0,0]=4 4686 B10R0.108 CCNC(=O)NCC(C)CO 512a_100015525214_100000744482 [0,1,0,0,0,0|3,0,0]=4 4687 B10R0.108 CCNC(=O)NCC(O)CC 2708a_100015525214_100011218483 [0,1,0,0,0,0|2,0,0]=3 4688 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100011218483_100015525214 [0,1,0,0,0,0|2,0,0]=3 4689 B10R0.108 CCNC(=O)NCC(O)CC 273464a_100015525214_100011218483 [0,1,0,0,0,0|2,0,0]=3 4690 B10R0.108 CCNC(=O)NCC(O)CC 512a_100011218483_100015525214 [0,1,0,0,0,0|2,0,0]=3 4691 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100015525214_100020591295 [0,1,0,0,0,0|3,0,0]=4 4692 B10R0.108 CCNC(=O)NC[C@@H](C)OC 2708a_100020591295_100015525214 [0,1,0,0,0,0|3,0,0]=4 4693 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100015525214_100020591295 [0,1,0,0,0,0|3,0,0]=4 4694 B10R0.108 CCNC(=O)NC[C@@H](C)OC 273464a_100020591295_100015525214 [0,1,0,0,0,0|3,0,0]=4 4695 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100015525214_100020591295 [0,1,0,0,0,0|3,0,0]=4 4696 B10R0.108 CCNC(=O)NC[C@@H](C)OC 512a_100020591295_100015525214 [0,1,0,0,0,0|3,0,0]=4 4697 B10R0.108 CCNC(=O)NC[C@@H](F)CO 2708a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 4698 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 4699 B10R0.108 CCNC(=O)NC[C@@H](F)CO 273464a_100015665980_100015525214 [0,1,0,0,0,0|3,0,0]=4 4700 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015525214_100015665980 [0,1,0,0,0,0|3,0,0]=4 4701 B10R0.108 CCNC(=O)NC[C@@H](F)CO 512a_100015665980_100015525214 [0,1,0,0,0,0|3,0,0]=4 4702 B10R0.108 CCNC(=O)NC[C@H](O)CO 2708a_100015525214_100020644852 [0,1,0,0,0,0|3,0,0]=4 4703 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100015525214_100020644852 [0,1,0,0,0,0|3,0,0]=4 4704 B10R0.108 CCNC(=O)NC[C@H](O)CO 273464a_100020644852_100015525214 [0,1,0,0,0,0|3,0,0]=4 4705 B10R0.108 CCNC(=O)NNC(C)CC 273464a_100015525214_100000718999 [0,1,0,0,0,0|3,0,0]=4 4706 B10R0.108 CCNC(=O)NNC(C)CC 512a_100000718999_100015525214 [0,1,0,0,0,0|3,0,0]=4 4707 B10R0.108 CCNC(=O)NNC(C)CC 512a_100015525214_100000718999 [0,1,0,0,0,0|3,0,0]=4 4708 B10R0.108 CCOC(=O)C=CC(=O)CC 1458a_100000210415_100000210202 [0,1,0,0,0,0|0,0,3]=4 4709 B10R0.108 CCOC(=O)CCC(=O)CC 1458a_100000183558_100000210202 [0,1,0,0,0,0|0,0,1]=2 4710 B10R0.108 CCOC(=O)CCC(=O)CF 1458a_100000183558_100015361967 [0,1,0,0,0,0|1,0,1]=3 4711 B10R0.108 CCOC(=O)CCC(=O)NC 11a_106832991635_100000183558 [0,1,0,0,0,0|1,0,1]=3 4712 B10R0.108 CCOC(=O)CCC(=O)NC 1626a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 4713 B10R0.108 CCOC(=O)CCC(=O)NC 240690a_100102657272_100000183558 [0,1,0,0,0,0|1,0,1]=3 4714 B10R0.108 CCOC(=O)CCC(C)NC 2230a_106832991635_100000748298 [0,1,0,0,0,0|1,0,0]=2 4715 B10R0.108 CCOC(=O)CCC(C)NC 34a_100102657272_100000748298 [0,1,0,0,0,0|1,0,0]=2 4716 B10R0.108 CCOC(=O)CCC(C)NC 7a_106832991635_100000748298 [0,1,0,0,0,0|1,0,0]=2 4717 B10R0.108 CCOC(=O)CCC(C)OC 34a_100138415774_100000748298 [0,1,0,0,0,0|1,0,0]=2 4718 B10R0.108 CCOC(=O)CCC(C)SC 62a_100000748298_200000210301 [0,1,0,0,0,0|1,0,0]=2 4719 B10R0.108 CCOC(=O)CCC(C)SC 62a_200000210301_100000748298 [0,1,0,0,0,0|1,0,0]=2 4720 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_100000748298_200025704644 [0,1,0,0,0,0|1,0,0]=2 4721 B10R0.108 CCOC(=O)CCC(C)S[13CH3] 62a_200025704644_100000748298 [0,1,0,0,0,0|1,0,0]=2 4722 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000225621_100011206558 [0,1,0,0,0,0|1,0,0]=2 4723 B10R0.108 CCOC(=O)CCN(C)CC 2230a_100000745921_100000210202 [0,1,0,0,0,0|1,0,0]=2 4724 B10R0.108 CCOC(=O)CCN(C)CC 2230a_200011277716_200000210301 [0,1,0,0,0,0|1,0,0]=2 4725 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000225621_100011206558 [0,1,0,0,0,0|1,0,0]=2 4726 B10R0.108 CCOC(=O)CCN(C)CC 269982a_100000745921_100000204670 [0,1,0,0,0,0|1,0,0]=2 4727 B10R0.108 CCOC(=O)CCN(C)CC 269982a_200011277716_200000210301 [0,1,0,0,0,0|1,0,0]=2 4728 B10R0.108 CCOC(=O)CCN(C)CF 269982a_100000745921_100015361967 [0,1,0,0,0,0|2,0,0]=3 4729 B10R0.108 CCOC(=O)CCN([13CH3])CC 2230a_200011277716_200025704644 [0,1,0,0,0,0|1,0,0]=2 4730 B10R0.108 CCOC(=O)CCN([13CH3])CC 269982a_200011277716_200025704644 [0,1,0,0,0,0|1,0,0]=2 4731 B10R0.108 CCOC(=O)CNC(=O)CC 188690a_100000741813_100000210414 [0,1,0,0,0,0|1,0,1]=3 4732 B10R0.108 CCOC(=O)CNC(=O)CO 188690a_100000741813_100000210174 [0,1,0,0,0,0|2,0,1]=4 4733 B10R0.108 CCOC(=O)CNC(C)C#N 2230a_100000737613_100000188475 [0,1,0,0,0,0|2,0,1]=4 4734 B10R0.108 CCOC(=O)CNC(C)CC 2230a_100000209981_100000188475 [0,1,0,0,0,0|1,0,0]=2 4735 B10R0.108 CCOC(=O)CN[C@H](C)CO 2230a_100000737577_100000188475 [0,1,0,0,0,0|2,0,0]=3 4736 B10R0.108 CCOC(=O)COC(C)C#N 34a_100011218135_100000188475 [0,1,0,0,0,0|2,0,1]=4 4737 B10R0.108 CCOC(=O)COC(C)CC 7a_100000210228_100000188475 [0,1,0,0,0,0|1,0,0]=2 4738 B10R0.108 CCOC(=O)COC(C)CF 34a_100016041109_100000188475 [0,1,0,0,0,0|2,0,0]=3 4739 B10R0.108 CCOC(=O)COC(C)CF 7a_100016041109_100000188475 [0,1,0,0,0,0|2,0,0]=3 4740 B10R0.108 CCOC(=O)COC(C)CN 34a_100000210904_100000188475 [0,1,0,0,0,0|2,0,0]=3 4741 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000188475_100000703298 [0,1,0,0,0,0|2,0,1]=4 4742 B10R0.108 CCOC(=O)CSC(C)C#N 62a_100000703298_100000188475 [0,1,0,0,0,0|2,0,1]=4 4743 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000188475_100000758301 [0,1,0,0,0,0|1,0,0]=2 4744 B10R0.108 CCOC(=O)CSC(C)CC 62a_100000758301_100000188475 [0,1,0,0,0,0|1,0,0]=2 4745 B10R0.108 CCOC(=O)CSC(C)CO 62a_100012180447_100000188475 [0,1,0,0,0,0|2,0,0]=3 4746 B10R0.108 CCOC(=O)CSC(C)OC 62a_100000188475_100009879195 [0,1,0,0,0,0|2,0,0]=3 4747 B10R0.108 CCOC(=O)CSC(C)OC 62a_100009879195_100000188475 [0,1,0,0,0,0|2,0,0]=3 4748 B10R0.108 CCOC(=O)CSC(F)C#N 62a_100000188475_200000117898 [0,1,0,0,0,0|2,0,1]=4 4749 B10R0.108 CCOC(=O)CSC(F)C#N 62a_200000117898_100000188475 [0,1,0,0,0,0|2,0,1]=4 4750 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100000188475_100016084084 [0,1,0,0,0,0|2,0,0]=3 4751 B10R0.108 CCOC(=O)CS[C@H](C)CO 62a_100016084084_100000188475 [0,1,0,0,0,0|2,0,0]=3 4752 B10R0.108 CCOC(=O)NCC(=O)CC 1458a_100000190774_100000210202 [0,1,0,0,0,0|1,0,1]=3 4753 B10R0.108 CCOC(=O)NCC(=O)CF 1458a_100000190774_100015361967 [0,1,0,0,0,0|2,0,1]=4 4754 B10R0.108 CCOC(=O)NCC(=O)NC 11a_106832991635_100000190774 [0,1,0,0,0,0|2,0,1]=4 4755 B10R0.108 CCOC(=O)NCC(=O)NC 1626a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 4756 B10R0.108 CCOC(=O)NCC(=O)NC 240690a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 4757 B10R0.108 CCOC(=O)NCC(=O)NC 527a_100102657272_100000190774 [0,1,0,0,0,0|2,0,1]=4 4758 B10R0.108 CCOC(C)CCC(C)CC 7a_200011216552_100000210202 [0,1,0,0,0,0|1,0,1]=3 4759 B10R0.108 CCS(=O)CCC(=O)CCF 1458a_100011387550_100011217306 [0,1,0,0,0,0|3,0,0]=4 4760 B10R0.108 CCS(=O)CCC(=O)CCO 1458a_100011387550_100000211926 [0,1,0,0,0,0|3,0,0]=4 4761 B10R0.156 CCCCCS(=O)(=O)NCC 270084a_100015525214_100000753860 [0,1,0,0,0,0|2,0,0]=3 4762 B10R0.156 CCCCCS(=O)(=O)NCC 274078a_100015525214_100000753860 [0,1,0,0,0,0|2,0,0]=3 4763 B10R0.156 CCCCNS(=O)(=O)CCC 270084a_100000102301_100000211391 [0,1,0,0,0,0|3,0,0]=4 4764 B10R0.156 CCCCNS(=O)(=O)CCC 274078a_100000102301_100000211391 [0,1,0,0,0,0|3,0,0]=4 4765 B10R0.156 CCCCNS(=O)(=O)CCC 40a_100000102301_100000054278 [0,1,0,0,0,0|3,0,0]=4 4766 B10R0.156 CCCSC[Si](C)(C)OCC 62a_100000210303_200000065227 [0,1,0,0,0,0|2,1,0]=4 4767 B10R0.156 CCCSC[Si](C)(C)OCC 62a_200000065227_100000210303 [0,1,0,0,0,0|2,1,0]=4 4768 B10R0.156 CCNS(=O)(=O)CCCCCl 270084a_100015525214_100000021705 [0,1,0,0,0,0|3,0,0]=4 4769 B10R0.156 CCNS(=O)(=O)CCOCC 270084a_100015525214_100000747040 [0,1,0,0,0,0|3,0,0]=4 4770 B10R0.156 CCNS(=O)(=O)CCOCC 274078a_100015525214_100000747040 [0,1,0,0,0,0|3,0,0]=4 4771 B10R0.156 CCO[Si](C)(C)CCCNC 2230a_106832991635_100000070546 [0,1,0,0,0,0|2,1,0]=4 4772 B10R0.156 CCO[Si](C)(C)CCCNC 34a_100102657272_100000070546 [0,1,0,0,0,0|2,1,0]=4 4773 B10R0.156 CCO[Si](C)(C)CCCNC 7a_106832991635_100000070546 [0,1,0,0,0,0|2,1,0]=4 4774 B10R0.156 CCO[Si](C)(C)CCCOC 34a_100138415774_100000070546 [0,1,0,0,0,0|2,1,0]=4 4775 B10R0.156 CCO[Si](C)(C)CCCSC 62a_100000070546_200000210301 [0,1,0,0,0,0|2,1,0]=4 4776 B10R0.156 CCO[Si](C)(C)CCCSC 62a_200000210301_100000070546 [0,1,0,0,0,0|2,1,0]=4 4777 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_100000070546_200025704644 [0,1,0,0,0,0|2,1,0]=4 4778 B10R0.156 CCO[Si](C)(C)CCCS[13CH3] 62a_200025704644_100000070546 [0,1,0,0,0,0|2,1,0]=4 4779 B10R1.10 C#CCN1CCOC(=O)C1 2230a_100000131268_100000038162 [0,0,0,1,0,0|1,0,2]=4 4780 B10R1.10 C=CCN1CCOC(=O)C1 2230a_100000131268_100000210623 [0,0,0,1,0,0|1,0,2]=4 4781 B10R1.10 CC1CCCC(C1)OCF 34a_100000211399_100015361967 [0,0,0,1,0,0|2,0,1]=4 4782 B10R1.10 CCCN1CCC=C(C1)C 2230a_100000725631_100000210303 [0,0,0,1,0,0|3,0,0]=4 4783 B10R1.10 CCCN1CCC=C(C1)C 269982a_100000725631_100000210303 [0,0,0,1,0,0|3,0,0]=4 4784 B10R1.10 CCCN1CCC=C(C1)C 34a_100000725631_100000210303 [0,0,0,1,0,0|3,0,0]=4 4785 B10R1.10 CCCN1CCC[C@@H](C1)C 2230a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 4786 B10R1.10 CCCN1CCC[C@@H](C1)C 269982a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 4787 B10R1.10 CCCN1CCC[C@@H](C1)C 34a_100000717927_100000210303 [0,0,0,1,0,0|3,0,0]=4 4788 B10R1.10 CCCN1CCNC(=O)C1 2230a_100000184651_100000210303 [0,0,0,1,0,0|2,0,0]=3 4789 B10R1.10 CCCN1CCOC(=O)C1 2230a_100000131268_100000210303 [0,0,0,1,0,0|1,0,0]=2 4790 B10R1.10 CCCN1CCOC(C1)C 2230a_100000729577_100000210303 [0,0,0,1,0,0|2,0,1]=4 4791 B10R1.10 CCCN1CCOC(C1)C 269982a_100000729577_100000210303 [0,0,0,1,0,0|2,0,1]=4 4792 B10R1.10 CCCN1CCOC(C1)C 34a_100000729577_100000210303 [0,0,0,1,0,0|2,0,1]=4 4793 B10R1.10 CCCN1CCOC(C1)O 2230a_100000688207_100000210303 [0,0,0,1,0,0|1,0,2]=4 4794 B10R1.10 CCCN1CCOC(C1)O 269982a_100000688207_100000210303 [0,0,0,1,0,0|1,0,2]=4 4795 B10R1.10 CCNC1CCCC(C1)C 2230a_100011194320_100000210202 [0,0,0,1,0,0|2,0,1]=4 4796 B10R1.10 CCNC1CCCC(C1)C 270004a_100015525214_100000183594 [0,0,0,1,0,0|2,0,1]=4 4797 B10R1.10 CCNC1CCCC(C1)C 34a_100011194320_100000210202 [0,0,0,1,0,0|2,0,1]=4 4798 B10R1.10 CCNC1CCNC(=O)C1 2230a_100016994916_100000210202 [0,0,0,1,0,0|2,0,0]=3 4799 B10R1.10 CCNC1CCNC(=O)C1 34a_100016994916_100000210202 [0,0,0,1,0,0|2,0,0]=3 4800 B10R1.10 CCNC1CCOC(C1)C 270004a_100015525214_100000755752 [0,0,0,1,0,0|2,0,1]=4 4801 B10R1.10 CCOC1C=C(CCC1)C 34a_100011218613_100000210202 [0,0,0,1,0,0|1,0,2]=4 4802 B10R1.10 CCOC1CCCC(=O)C1 34a_100012613340_100000210202 [0,0,0,1,0,0|2,0,0]=3 4803 B10R1.10 CCOC1CCCC(C1)C 34a_100000211399_100000210202 [0,0,0,1,0,0|1,0,1]=3 4804 B10R1.10 CCOC1CCCN(C1)C 2230a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 4805 B10R1.10 CCOC1CCCN(C1)C 269982a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 4806 B10R1.10 CCOC1CCCN(C1)C 34a_100000745229_200000210301 [0,0,0,1,0,0|2,0,1]=4 4807 B10R1.10 CCOC1CCCN(C1)[13CH3] 2230a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 4808 B10R1.10 CCOC1CCCN(C1)[13CH3] 269982a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 4809 B10R1.10 CCOC1CCCN(C1)[13CH3] 34a_100000745229_200025704644 [0,0,0,1,0,0|2,0,1]=4 4810 B10R1.10 CCOC1CCOC(C1)C 34a_100011986385_100000210202 [0,0,0,1,0,0|2,0,1]=4 4811 B10R1.10 CCOC1CCOC(C1)C 7a_100011986385_100000210202 [0,0,0,1,0,0|2,0,1]=4 4812 B10R1.10 CCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210202 [0,0,0,1,0,0|2,0,0]=3 4813 B10R1.10 COCC1CCCC(=O)N1 34a_200000102386_200000210301 [0,0,0,1,0,0|3,0,0]=4 4814 B10R1.10 COCC1CCNC(=O)C1 34a_100009886756_200000210301 [0,0,0,1,0,0|2,0,0]=3 4815 B10R1.10 COCN1CCNC(=O)C1 2230a_100000184651_100000766300 [0,0,0,1,0,0|3,0,0]=4 4816 B10R1.10 COCN1CCOC(=O)C1 2230a_100000131268_100000766300 [0,0,0,1,0,0|2,0,0]=3 4817 B10R1.10 CSCN1CCNC(=O)C1 2230a_100000184651_100011218213 [0,0,0,1,0,0|3,0,0]=4 4818 B10R1.10 CSCN1CCOC(=O)C1 2230a_100000131268_100011218213 [0,0,0,1,0,0|2,0,0]=3 4819 B10R1.10 N#CCN1CCOC(=O)C1 2230a_100000131268_100011215382 [0,0,0,1,0,0|2,0,1]=4 4820 B10R1.10 O=C1CC(CCN1)NCF 34a_100016994916_100015361967 [0,0,0,1,0,0|3,0,0]=4 4821 B10R1.10 O=C1CCCC(C1)OCF 34a_100012613340_100015361967 [0,0,0,1,0,0|3,0,0]=4 4822 B10R1.10 O=C1CN(CCN1)CCF 2230a_100000184651_100011217306 [0,0,0,1,0,0|3,0,0]=4 4823 B10R1.10 O=C1CN(CCN1)CCO 2230a_100000184651_100000211926 [0,0,0,1,0,0|3,0,0]=4 4824 B10R1.10 O=C1CN(CCO1)CCF 2230a_100000131268_100011217306 [0,0,0,1,0,0|2,0,0]=3 4825 B10R1.10 O=C1CN(CCO1)CCO 2230a_100000131268_100000211926 [0,0,0,1,0,0|2,0,0]=3 4826 B10R1.10 O=C1C[C@@H](CCN1)OCF 34a_100015189427_100015361967 [0,0,0,1,0,0|3,0,0]=4 4827 B10R1.10 O=CCN1CCOC(=O)C1 2230a_100000131268_200015260668 [0,0,0,1,0,0|2,0,1]=4 4828 B10R1.10 [13CH3]OCC1CCCC(=O)N1 34a_200000102386_200025704644 [0,0,0,1,0,0|3,0,0]=4 4829 B10R1.10 [13CH3]OCC1CCNC(=O)C1 34a_100009886756_200025704644 [0,0,0,1,0,0|2,0,0]=3 4830 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100000210718_100000184674 [0,0,0,1,0,0|1,0,2]=4 4831 B10R1.11 C#CCC(=O)C1CCCC1 1458a_100011220946_100000179811 [0,0,0,1,0,0|1,0,2]=4 4832 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210193_100000179811 [0,0,0,1,0,0|1,0,2]=4 4833 B10R1.11 C=CCC(=O)C1CCCC1 1458a_100000210718_100000210623 [0,0,0,1,0,0|1,0,2]=4 4834 B10R1.11 CC#CC(=O)C1CCCC1 1458a_100000763181_100000179811 [0,0,0,1,0,0|1,0,1]=3 4835 B10R1.11 CC#CC(=O)C1CCOC1 1458a_100000763181_100000690089 [0,0,0,1,0,0|2,0,1]=4 4836 B10R1.11 CC(OCF)C1CCCC1 34a_100011216366_100015361967 [0,0,0,1,0,0|2,0,1]=4 4837 B10R1.11 CC(OCF)C1CCCC1 7a_100011216366_100015361967 [0,0,0,1,0,0|2,0,1]=4 4838 B10R1.11 CC=CC(=O)C1CCCC1 1458a_100000210699_100000179811 [0,0,0,1,0,0|1,0,1]=3 4839 B10R1.11 CC=CC(=O)C1CCOC1 1458a_100000210699_100000690089 [0,0,0,1,0,0|2,0,1]=4 4840 B10R1.11 CC=CC(=O)N1CCCC1 240690a_100000188435_100000210699 [0,0,0,1,0,0|2,0,1]=4 4841 B10R1.11 CCCC(=O)C1=CCCC1 1458a_100000038896_100000210303 [0,0,0,1,0,0|1,0,2]=4 4842 B10R1.11 CCCC(=O)C1CC=CC1 1458a_100000759439_100000210303 [0,0,0,1,0,0|1,0,2]=4 4843 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000210718_100000210303 [0,0,0,1,0,0|1,0,0]=2 4844 B10R1.11 CCCC(=O)C1CCCC1 1458a_100000211992_100000179811 [0,0,0,1,0,0|1,0,0]=2 4845 B10R1.11 CCCC(=O)C1CCCS1 1458a_100012002731_100000210303 [0,0,0,1,0,0|2,0,0]=3 4846 B10R1.11 CCCC(=O)C1CCOC1 1458a_100000211992_100000690089 [0,0,0,1,0,0|2,0,0]=3 4847 B10R1.11 CCCC(=O)C1CCOC1 1458a_100011219752_100000210303 [0,0,0,1,0,0|2,0,0]=3 4848 B10R1.11 CCCC(=O)N1CCCC1 240690a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 4849 B10R1.11 CCCC(=O)N1CCCC1 527a_100000188435_100000211992 [0,0,0,1,0,0|2,0,0]=3 4850 B10R1.11 CCCC(=O)N1CCSC1 11a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 4851 B10R1.11 CCCC(=O)N1CCSC1 240690a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 4852 B10R1.11 CCCC(=O)N1CCSC1 527a_100011215254_100000211992 [0,0,0,1,0,0|3,0,0]=4 4853 B10R1.11 CCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210303 [0,0,0,1,0,0|2,0,0]=3 4854 B10R1.11 CCCN(C)C1CCCC1 2230a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 4855 B10R1.11 CCCN(C)C1CCCC1 2230a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 4856 B10R1.11 CCCN(C)C1CCCC1 2230a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 4857 B10R1.11 CCCN(C)C1CCCC1 269982a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 4858 B10R1.11 CCCN(C)C1CCCC1 269982a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 4859 B10R1.11 CCCN(C)C1CCCC1 269982a_100000747261_100000179811 [0,0,0,1,0,0|3,0,0]=4 4860 B10R1.11 CCCN(C)C1CCCC1 270004a_100000747261_100000210133 [0,0,0,1,0,0|3,0,0]=4 4861 B10R1.11 CCCN(C)C1CCCC1 34a_100000201646_200000210301 [0,0,0,1,0,0|3,0,0]=4 4862 B10R1.11 CCCN(C)C1CCCC1 34a_100000207505_100000210303 [0,0,0,1,0,0|3,0,0]=4 4863 B10R1.11 CCCN([13CH3])C1CCCC1 2230a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 4864 B10R1.11 CCCN([13CH3])C1CCCC1 269982a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 4865 B10R1.11 CCCN([13CH3])C1CCCC1 34a_100000201646_200025704644 [0,0,0,1,0,0|3,0,0]=4 4866 B10R1.11 CCNC(=O)C1=CCCC1 11a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 4867 B10R1.11 CCNC(=O)C1=CCCC1 240690a_100015525214_100000038896 [0,0,0,1,0,0|1,0,2]=4 4868 B10R1.11 CCNC(=O)C1CC=CC1 11a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 4869 B10R1.11 CCNC(=O)C1CC=CC1 240690a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 4870 B10R1.11 CCNC(=O)C1CC=CC1 527a_100015525214_100000759439 [0,0,0,1,0,0|1,0,2]=4 4871 B10R1.11 CCNC(=O)C1CCCC1 11a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 4872 B10R1.11 CCNC(=O)C1CCCC1 240690a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 4873 B10R1.11 CCNC(=O)C1CCCC1 527a_100015525214_100000210718 [0,0,0,1,0,0|1,0,0]=2 4874 B10R1.11 CCNC(=O)C1CCCS1 11a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 4875 B10R1.11 CCNC(=O)C1CCCS1 240690a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 4876 B10R1.11 CCNC(=O)C1CCCS1 527a_100015525214_100012002731 [0,0,0,1,0,0|2,0,0]=3 4877 B10R1.11 CCNC(=O)C1CCOC1 11a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 4878 B10R1.11 CCNC(=O)C1CCOC1 240690a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 4879 B10R1.11 CCNC(=O)C1CCOC1 527a_100015525214_100011219752 [0,0,0,1,0,0|2,0,0]=3 4880 B10R1.11 CCNC(=O)N1CCCC1 2708a_100015525214_100000188435 [0,0,0,1,0,0|2,0,0]=3 4881 B10R1.11 CCNC(=O)N1CCCC1 273464a_100015525214_100000188435 [0,0,0,1,0,0|2,0,0]=3 4882 B10R1.11 CCNC(=O)N1CCSC1 2708a_100015525214_100011215254 [0,0,0,1,0,0|3,0,0]=4 4883 B10R1.11 CCNC(=O)N1CCSC1 273464a_100015525214_100011215254 [0,0,0,1,0,0|3,0,0]=4 4884 B10R1.11 CCNC(=O)[C@@H]1CCCO1 11a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 4885 B10R1.11 CCNC(=O)[C@@H]1CCCO1 240690a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 4886 B10R1.11 CCNC(=O)[C@@H]1CCCO1 527a_100015525214_100000686382 [0,0,0,1,0,0|2,0,0]=3 4887 B10R1.11 CCNC(C)C1CCCC1 2230a_100015185923_100000210202 [0,0,0,1,0,0|2,0,1]=4 4888 B10R1.11 CCNC(C)C1CCCC1 269862a_100015525214_100000749594 [0,0,0,1,0,0|2,0,1]=4 4889 B10R1.11 CCNC(C)C1CCCC1 270004a_100015525214_100000749594 [0,0,0,1,0,0|2,0,1]=4 4890 B10R1.11 CCNC(C)C1CCCC1 34a_100015185923_100000210202 [0,0,0,1,0,0|2,0,1]=4 4891 B10R1.11 CCOC(C)C1CCCC1 34a_100011216366_100000210202 [0,0,0,1,0,0|1,0,1]=3 4892 B10R1.11 CCOC(C)C1CCCC1 7a_100011216366_100000210202 [0,0,0,1,0,0|1,0,1]=3 4893 B10R1.11 CNCC(=O)N1CCCC1 2230a_100000751844_200000210301 [0,0,0,1,0,0|3,0,0]=4 4894 B10R1.11 CNCC(=O)N1CCCC1 2230a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 4895 B10R1.11 CNCC(=O)N1CCCC1 34a_100102657272_100000183516 [0,0,0,1,0,0|3,0,0]=4 4896 B10R1.11 CNCC(=O)N1CCCC1 7a_106832991635_100000183516 [0,0,0,1,0,0|3,0,0]=4 4897 B10R1.11 CNNC(=O)C1CCCC1 22a_100016993582_100000210718 [0,0,0,1,0,0|2,0,0]=3 4898 B10R1.11 CNNC(=O)C1CCCS1 22a_100016993582_100012002731 [0,0,0,1,0,0|3,0,0]=4 4899 B10R1.11 CNNC(=O)C1CCOC1 22a_100016993582_100011219752 [0,0,0,1,0,0|3,0,0]=4 4900 B10R1.11 CNNC(=O)[C@@H]1CCCO1 22a_100016993582_100000686382 [0,0,0,1,0,0|3,0,0]=4 4901 B10R1.11 COCC(=O)C1CCCC1 1458a_100000210968_100000179811 [0,0,0,1,0,0|2,0,0]=3 4902 B10R1.11 COCC(=O)C1CCOC1 1458a_100000210968_100000690089 [0,0,0,1,0,0|3,0,0]=4 4903 B10R1.11 COCC(=O)N1CCCC1 240690a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 4904 B10R1.11 COCC(=O)N1CCCC1 34a_100138415774_100000183516 [0,0,0,1,0,0|3,0,0]=4 4905 B10R1.11 COCC(=O)N1CCCC1 527a_100000188435_100000210968 [0,0,0,1,0,0|3,0,0]=4 4906 B10R1.11 COCC(=O)N1CCCC1 7a_200000752455_200000210301 [0,0,0,1,0,0|3,0,0]=4 4907 B10R1.11 CSCC(=O)C1CCCC1 1458a_100000184570_100000179811 [0,0,0,1,0,0|2,0,0]=3 4908 B10R1.11 CSCC(=O)C1CCOC1 1458a_100000184570_100000690089 [0,0,0,1,0,0|3,0,0]=4 4909 B10R1.11 CSCC(=O)N1CCCC1 240690a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 4910 B10R1.11 CSCC(=O)N1CCCC1 527a_100000188435_100000184570 [0,0,0,1,0,0|3,0,0]=4 4911 B10R1.11 CSCC(=O)N1CCCC1 62a_100000183516_200000210301 [0,0,0,1,0,0|3,0,0]=4 4912 B10R1.11 CSCC(=O)N1CCCC1 62a_200000210301_100000183516 [0,0,0,1,0,0|3,0,0]=4 4913 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100000210718_100011214920 [0,0,0,1,0,0|2,0,1]=4 4914 B10R1.11 N#CCC(=O)C1CCCC1 1458a_100051588842_100000179811 [0,0,0,1,0,0|2,0,1]=4 4915 B10R1.11 O=C(C=CBr)C1CCCC1 1458a_100016273825_100000179811 [0,0,0,1,0,0|2,0,1]=4 4916 B10R1.11 O=C(C=CCl)C1CCCC1 1458a_200016279998_100000179811 [0,0,0,1,0,0|2,0,1]=4 4917 B10R1.11 O=C(C=CI)C1CCCC1 1458a_100016256311_100000179811 [0,0,0,1,0,0|2,0,1]=4 4918 B10R1.11 O=C(CCF)C1CCCC1 1458a_100000210718_100011217306 [0,0,0,1,0,0|2,0,0]=3 4919 B10R1.11 O=C(CCF)C1CCCS1 1458a_100012002731_100011217306 [0,0,0,1,0,0|3,0,0]=4 4920 B10R1.11 O=C(CCF)C1CCOC1 1458a_100011219752_100011217306 [0,0,0,1,0,0|3,0,0]=4 4921 B10R1.11 O=C(CCF)[C@@H]1CCCO1 1458a_100000686382_100011217306 [0,0,0,1,0,0|3,0,0]=4 4922 B10R1.11 O=C(CCO)C1CCCC1 1458a_100000210718_100000211926 [0,0,0,1,0,0|2,0,0]=3 4923 B10R1.11 O=C(CCO)C1CCCC1 1458a_100011216618_100000179811 [0,0,0,1,0,0|2,0,0]=3 4924 B10R1.11 O=C(CCO)C1CCCS1 1458a_100012002731_100000211926 [0,0,0,1,0,0|3,0,0]=4 4925 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011216618_100000690089 [0,0,0,1,0,0|3,0,0]=4 4926 B10R1.11 O=C(CCO)C1CCOC1 1458a_100011219752_100000211926 [0,0,0,1,0,0|3,0,0]=4 4927 B10R1.11 O=C(CCO)N1CCCC1 240690a_100000188435_100011216618 [0,0,0,1,0,0|3,0,0]=4 4928 B10R1.11 O=C(CCO)[C@@H]1CCCO1 1458a_100000686382_100000211926 [0,0,0,1,0,0|3,0,0]=4 4929 B10R1.11 [13CH3]NCC(=O)N1CCCC1 2230a_100000751844_200025704644 [0,0,0,1,0,0|3,0,0]=4 4930 B10R1.11 [13CH3]OCC(=O)N1CCCC1 7a_200000752455_200025704644 [0,0,0,1,0,0|3,0,0]=4 4931 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_100000183516_200025704644 [0,0,0,1,0,0|3,0,0]=4 4932 B10R1.11 [13CH3]SCC(=O)N1CCCC1 62a_200025704644_100000183516 [0,0,0,1,0,0|3,0,0]=4 4933 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,0,0,1,0,0|2,0,0]=3 4934 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,0,0,1,0,0|3,0,0]=4 4935 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,0,0,1,0,0|3,0,0]=4 4936 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,0,0,1,0,0|3,0,0]=4 4937 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,0,0,1,0,0|3,0,0]=4 4938 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,0,0,1,0,0|2,0,0]=3 4939 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,0,0,1,0,0|2,0,0]=3 4940 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,0,0,1,0,0|3,0,0]=4 4941 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,0,0,1,0,0|3,0,0]=4 4942 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,0,0,1,0,0|3,0,0]=4 4943 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,0,0,1,0,0|3,0,0]=4 4944 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,0,0,1,0,0|2,0,0]=3 4945 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,0,0,1,0,0|2,0,0]=3 4946 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,0,0,1,0,0|3,0,0]=4 4947 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,0,0,1,0,0|3,0,0]=4 4948 B10R1.21 CCCCCN1CCCC1 2230a_100000188435_100000210326 [0,0,0,1,0,0|3,0,0]=4 4949 B10R1.21 CCCCCN1CCCC1 269982a_100000188435_100000210215 [0,0,0,1,0,0|3,0,0]=4 4950 B10R1.21 CCCCOC1CCCO1 34a_100000085407_100000210210 [0,0,0,1,0,0|2,0,1]=4 4951 B10R1.21 CCCNCC1OCCO1 2230a_100000036311_100000210303 [0,0,0,1,0,0|1,0,2]=4 4952 B10R1.21 CCCNCC1OCCO1 34a_100000036311_100000210303 [0,0,0,1,0,0|1,0,2]=4 4953 B10R1.21 CCCNC[C@@H]1CCCO1 2230a_100020590478_100000210303 [0,0,0,1,0,0|2,0,1]=4 4954 B10R1.21 CCCNC[C@@H]1CCCO1 34a_100020590478_100000210303 [0,0,0,1,0,0|2,0,1]=4 4955 B10R1.21 CCCOCC1=NCCN1 34a_100000210258_100000737910 [0,0,0,1,0,0|3,0,0]=4 4956 B10R1.21 CCCOCC1CCCO1 34a_100000210270_100000210303 [0,0,0,1,0,0|2,0,1]=4 4957 B10R1.21 CCCOCC1CCCO1 7a_100000210270_100000210303 [0,0,0,1,0,0|2,0,1]=4 4958 B10R1.21 CCCOCC1OCCO1 34a_100000087154_100000210303 [0,0,0,1,0,0|1,0,2]=4 4959 B10R1.21 CCCOCC1OCCO1 34a_100000210258_100000755774 [0,0,0,1,0,0|1,0,2]=4 4960 B10R1.21 CCCSCC1=NCCN1 62a_100000210303_100000737910 [0,0,0,1,0,0|3,0,0]=4 4961 B10R1.21 CCCSCC1=NCCN1 62a_100000737910_100000210303 [0,0,0,1,0,0|3,0,0]=4 4962 B10R1.21 CCCSCC1CCCO1 62a_100000203698_100000210303 [0,0,0,1,0,0|2,0,1]=4 4963 B10R1.21 CCCSCC1CCCO1 62a_100000210303_100000203698 [0,0,0,1,0,0|2,0,1]=4 4964 B10R1.21 CCCSCC1OCCO1 62a_100000210303_100000755774 [0,0,0,1,0,0|1,0,2]=4 4965 B10R1.21 CCCSCC1OCCO1 62a_100000755774_100000210303 [0,0,0,1,0,0|1,0,2]=4 4966 B10R1.21 CCNCCC1OCCO1 2230a_100000034215_100000210202 [0,0,0,1,0,0|1,0,2]=4 4967 B10R1.21 CCNCCC1OCCO1 2230a_100015525214_100000740749 [0,0,0,1,0,0|1,0,2]=4 4968 B10R1.21 CCNCCC1OCCO1 34a_100000034215_100000210202 [0,0,0,1,0,0|1,0,2]=4 4969 B10R1.21 CCOCCC1OCCO1 34a_100121572206_100000740749 [0,0,0,1,0,0|1,0,2]=4 4970 B10R1.21 CCSCCC1OCCO1 62a_100000210202_100000740749 [0,0,0,1,0,0|1,0,2]=4 4971 B10R1.21 CNCCCC1OCCO1 2230a_106832991635_100000042513 [0,0,0,1,0,0|1,0,2]=4 4972 B10R1.21 CNCCCC1OCCO1 34a_100102657272_100009861162 [0,0,0,1,0,0|1,0,2]=4 4973 B10R1.21 CNCCCC1OCCO1 7a_106832991635_100000042513 [0,0,0,1,0,0|1,0,2]=4 4974 B10R1.21 COCCCC1OCCO1 34a_100009871617_200000210301 [0,0,0,1,0,0|1,0,2]=4 4975 B10R1.21 COCCCC1OCCO1 34a_100138415774_100009861162 [0,0,0,1,0,0|1,0,2]=4 4976 B10R1.21 COCCCC1OCCO1 7a_100009871617_200000210301 [0,0,0,1,0,0|1,0,2]=4 4977 B10R1.21 CSCCCC1OCCO1 62a_200000210301_100000042513 [0,0,0,1,0,0|1,0,2]=4 4978 B10R1.21 [13CH3]OCCCC1OCCO1 34a_100009871617_200025704644 [0,0,0,1,0,0|1,0,2]=4 4979 B10R1.21 [13CH3]OCCCC1OCCO1 7a_100009871617_200025704644 [0,0,0,1,0,0|1,0,2]=4 4980 B10R1.21 [13CH3]SCCCC1OCCO1 62a_200025704644_100000042513 [0,0,0,1,0,0|1,0,2]=4 4981 B10R1.24 CCCCCN1CC(C1)C 2230a_100000702820_100000210326 [0,0,0,1,0,0|3,0,0]=4 4982 B10R1.24 CCCCCN1CC(C1)C 269982a_100000702820_100000210215 [0,0,0,1,0,0|3,0,0]=4 4983 B10R1.24 CCCCCN1CC(C1)C 34a_100000702820_100000718602 [0,0,0,1,0,0|3,0,0]=4 4984 B10R1.29 C#CCNC1CCOC1=O 34a_100000212058_100000211211 [0,0,0,1,0,0|1,0,2]=4 4985 B10R1.29 C#CCOC1CCOC1=O 34a_100000210247_100000211211 [0,0,0,1,0,0|1,0,2]=4 4986 B10R1.29 C#CCSC1CCOC1=O 62a_100000038162_100000211211 [0,0,0,1,0,0|1,0,2]=4 4987 B10R1.29 C=CCNC1CCOC1=O 2230a_100020586998_100000211211 [0,0,0,1,0,0|1,0,2]=4 4988 B10R1.29 C=CCOC1CCOC1=O 34a_200000210373_100000211211 [0,0,0,1,0,0|1,0,2]=4 4989 B10R1.29 C=CCSC1CCOC1=O 62a_100000210623_100000211211 [0,0,0,1,0,0|1,0,2]=4 4990 B10R1.29 C=CCSC1CCOC1=O 62a_100000211211_100000210623 [0,0,0,1,0,0|1,0,2]=4 4991 B10R1.29 CCCNC1CCNC1=O 2230a_100016995588_100000210303 [0,0,0,1,0,0|2,0,0]=3 4992 B10R1.29 CCCNC1CCNC1=O 34a_100016995588_100000210303 [0,0,0,1,0,0|2,0,0]=3 4993 B10R1.29 CCCNC1CCOC1C 270004a_100020643023_100000691750 [0,0,0,1,0,0|2,0,1]=4 4994 B10R1.29 CCCN[C@@H]1CONC1=O 2230a_100000765999_100000210303 [0,0,0,1,0,0|3,0,0]=4 4995 B10R1.29 CCCN[C@@H]1CONC1=O 34a_100000765999_100000210303 [0,0,0,1,0,0|3,0,0]=4 4996 B10R1.29 CCCOC1CCCC1=O 34a_100000210258_100000709159 [0,0,0,1,0,0|2,0,0]=3 4997 B10R1.29 CCCOC1CCCC1=O 34a_200000719330_100000210303 [0,0,0,1,0,0|2,0,0]=3 4998 B10R1.29 CCCOC1CCOC1=O 34a_100000210258_100000211211 [0,0,0,1,0,0|1,0,0]=2 4999 B10R1.29 CCCO[C@H]1CCNC1=O 34a_100000688343_100000210303 [0,0,0,1,0,0|2,0,0]=3 5000 B10R1.29 CCCSC1CCCC1=O 62a_100000210303_100000211823 [0,0,0,1,0,0|2,0,0]=3 5001 B10R1.29 CCCSC1CCCC1=O 62a_100000211823_100000210303 [0,0,0,1,0,0|2,0,0]=3 5002 B10R1.29 CCCSC1CCOC1=O 62a_100000210303_100000211211 [0,0,0,1,0,0|1,0,0]=2 5003 B10R1.29 CCCSC1CCOC1=O 62a_100000211211_100000210303 [0,0,0,1,0,0|1,0,0]=2 5004 B10R1.29 CCOCC1CCNC1=O 34a_100000133458_100000210202 [0,0,0,1,0,0|2,0,0]=3 5005 B10R1.29 CCSCN1CCCC1=O 62a_100000026320_100000210202 [0,0,0,1,0,0|3,0,0]=4 5006 B10R1.29 CCSCN1CCCC1=O 62a_100000210202_100000026320 [0,0,0,1,0,0|3,0,0]=4 5007 B10R1.29 CNCCN1CCCC1=O 2230a_100011200922_200000210301 [0,0,0,1,0,0|3,0,0]=4 5008 B10R1.29 CNCCN1CCCC1=O 2230a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 5009 B10R1.29 CNCCN1CCCC1=O 34a_100102657272_100000739059 [0,0,0,1,0,0|3,0,0]=4 5010 B10R1.29 CNCCN1CCCC1=O 7a_106832991635_100000739059 [0,0,0,1,0,0|3,0,0]=4 5011 B10R1.29 CNCCN1CCNC1=O 2230a_100011207550_200000210301 [0,0,0,1,0,0|3,0,0]=4 5012 B10R1.29 CNCCN1CCNC1=O 2230a_106832991635_100000090651 [0,0,0,1,0,0|3,0,0]=4 5013 B10R1.29 CNCCN1CCNC1=O 7a_106832991635_100000090651 [0,0,0,1,0,0|3,0,0]=4 5014 B10R1.29 COCCN1CCCC1=O 34a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 5015 B10R1.29 COCCN1CCCC1=O 34a_100138415774_100000739059 [0,0,0,1,0,0|3,0,0]=4 5016 B10R1.29 COCCN1CCCC1=O 7a_100000211209_200000210301 [0,0,0,1,0,0|3,0,0]=4 5017 B10R1.29 COCCN1CCNC1=O 34a_100000216532_200000210301 [0,0,0,1,0,0|3,0,0]=4 5018 B10R1.29 COCNC1CCNC1=O 2230a_100016995588_100000766300 [0,0,0,1,0,0|3,0,0]=4 5019 B10R1.29 COCSC1CCCC1=O 62a_100000211823_100000766300 [0,0,0,1,0,0|3,0,0]=4 5020 B10R1.29 COCSC1CCCC1=O 62a_100000766300_100000211823 [0,0,0,1,0,0|3,0,0]=4 5021 B10R1.29 COCSC1CCOC1=O 62a_100000211211_100000766300 [0,0,0,1,0,0|2,0,0]=3 5022 B10R1.29 COCSC1CCOC1=O 62a_100000766300_100000211211 [0,0,0,1,0,0|2,0,0]=3 5023 B10R1.29 CSCCN1CCCC1=O 62a_100000739059_200000210301 [0,0,0,1,0,0|3,0,0]=4 5024 B10R1.29 CSCCN1CCCC1=O 62a_200000210301_100000739059 [0,0,0,1,0,0|3,0,0]=4 5025 B10R1.29 CSCCN1CCNC1=O 62a_100000090651_200000210301 [0,0,0,1,0,0|3,0,0]=4 5026 B10R1.29 CSCCN1CCNC1=O 62a_200000210301_100000090651 [0,0,0,1,0,0|3,0,0]=4 5027 B10R1.29 CSCNC1CCNC1=O 2230a_100016995588_100011218213 [0,0,0,1,0,0|3,0,0]=4 5028 B10R1.29 CSCNC1CCNC1=O 34a_100016995588_100011218213 [0,0,0,1,0,0|3,0,0]=4 5029 B10R1.29 CSCOC1CCCC1=O 34a_200000719330_100011218213 [0,0,0,1,0,0|3,0,0]=4 5030 B10R1.29 CSCO[C@H]1CCNC1=O 34a_100000688343_100011218213 [0,0,0,1,0,0|3,0,0]=4 5031 B10R1.29 CSCSC1CCCC1=O 62a_100000211823_100011218213 [0,0,0,1,0,0|3,0,0]=4 5032 B10R1.29 CSCSC1CCCC1=O 62a_100011218213_100000211823 [0,0,0,1,0,0|3,0,0]=4 5033 B10R1.29 CSCSC1CCOC1=O 62a_100000211211_100011218213 [0,0,0,1,0,0|2,0,0]=3 5034 B10R1.29 CSCSC1CCOC1=O 62a_100011218213_100000211211 [0,0,0,1,0,0|2,0,0]=3 5035 B10R1.29 N#CCSC1CCOC1=O 62a_100000211211_100011215382 [0,0,0,1,0,0|2,0,1]=4 5036 B10R1.29 N#CCSC1CCOC1=O 62a_100011215382_100000211211 [0,0,0,1,0,0|2,0,1]=4 5037 B10R1.29 NCCOC1CCCC1=O 34a_100000210304_100000709159 [0,0,0,1,0,0|3,0,0]=4 5038 B10R1.29 NCCOC1CCOC1=O 34a_100000210304_100000211211 [0,0,0,1,0,0|2,0,0]=3 5039 B10R1.29 O=C1CCCC1NCCF 34a_100000724931_100000709159 [0,0,0,1,0,0|3,0,0]=4 5040 B10R1.29 O=C1CCCC1NCCO 2230a_100016997473_100000211823 [0,0,0,1,0,0|3,0,0]=4 5041 B10R1.29 O=C1CCCC1NCCO 34a_100016990907_100000709159 [0,0,0,1,0,0|3,0,0]=4 5042 B10R1.29 O=C1CCCC1OCCBr 34a_100000211926_100000709159 [0,0,0,1,0,0|3,0,0]=4 5043 B10R1.29 O=C1CCCC1OCCF 34a_200000719330_100011217306 [0,0,0,1,0,0|3,0,0]=4 5044 B10R1.29 O=C1CCCC1OCCO 34a_200000719330_100000211926 [0,0,0,1,0,0|3,0,0]=4 5045 B10R1.29 O=C1CCCC1SCCF 62a_100000211823_100011217306 [0,0,0,1,0,0|3,0,0]=4 5046 B10R1.29 O=C1CCCC1SCCF 62a_100011217306_100000211823 [0,0,0,1,0,0|3,0,0]=4 5047 B10R1.29 O=C1CCCC1SCCO 62a_100000211823_100000211926 [0,0,0,1,0,0|3,0,0]=4 5048 B10R1.29 O=C1CCCC1SCCO 62a_100000211926_100000211823 [0,0,0,1,0,0|3,0,0]=4 5049 B10R1.29 O=C1NCCC1COCF 34a_100000133458_100015361967 [0,0,0,1,0,0|3,0,0]=4 5050 B10R1.29 O=C1NCCC1NCCF 2230a_100016995588_100011217306 [0,0,0,1,0,0|3,0,0]=4 5051 B10R1.29 O=C1NCCC1NCCF 34a_100016995588_100011217306 [0,0,0,1,0,0|3,0,0]=4 5052 B10R1.29 O=C1NCCC1NCCO 2230a_100016995588_100000211926 [0,0,0,1,0,0|3,0,0]=4 5053 B10R1.29 O=C1NCCC1NCCO 34a_100016995588_100000211926 [0,0,0,1,0,0|3,0,0]=4 5054 B10R1.29 O=C1NCC[C@@H]1OCCF 34a_100000688343_100011217306 [0,0,0,1,0,0|3,0,0]=4 5055 B10R1.29 O=C1NCC[C@@H]1OCCO 34a_100000688343_100000211926 [0,0,0,1,0,0|3,0,0]=4 5056 B10R1.29 O=C1OCCC1NCCF 34a_100000724931_100000211211 [0,0,0,1,0,0|2,0,0]=3 5057 B10R1.29 O=C1OCCC1NCCO 2230a_100016997473_100000211211 [0,0,0,1,0,0|2,0,0]=3 5058 B10R1.29 O=C1OCCC1NCCO 34a_100016990907_100000211211 [0,0,0,1,0,0|2,0,0]=3 5059 B10R1.29 O=C1OCCC1OCCBr 34a_100000211926_100000211211 [0,0,0,1,0,0|2,0,0]=3 5060 B10R1.29 O=C1OCCC1SCCF 62a_100000211211_100011217306 [0,0,0,1,0,0|2,0,0]=3 5061 B10R1.29 O=C1OCCC1SCCF 62a_100011217306_100000211211 [0,0,0,1,0,0|2,0,0]=3 5062 B10R1.29 O=C1OCCC1SCCO 62a_100000211211_100000211926 [0,0,0,1,0,0|2,0,0]=3 5063 B10R1.29 O=C1OCCC1SCCO 62a_100000211926_100000211211 [0,0,0,1,0,0|2,0,0]=3 5064 B10R1.29 O=CCSC1CCOC1=O 62a_100000211211_200015260668 [0,0,0,1,0,0|2,0,1]=4 5065 B10R1.29 O=CCSC1CCOC1=O 62a_200015260668_100000211211 [0,0,0,1,0,0|2,0,1]=4 5066 B10R1.29 [13CH3]NCCN1CCCC1=O 2230a_100011200922_200025704644 [0,0,0,1,0,0|3,0,0]=4 5067 B10R1.29 [13CH3]NCCN1CCNC1=O 2230a_100011207550_200025704644 [0,0,0,1,0,0|3,0,0]=4 5068 B10R1.29 [13CH3]OCCN1CCCC1=O 34a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 5069 B10R1.29 [13CH3]OCCN1CCCC1=O 7a_100000211209_200025704644 [0,0,0,1,0,0|3,0,0]=4 5070 B10R1.29 [13CH3]OCCN1CCNC1=O 34a_100000216532_200025704644 [0,0,0,1,0,0|3,0,0]=4 5071 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_100000739059_200025704644 [0,0,0,1,0,0|3,0,0]=4 5072 B10R1.29 [13CH3]SCCN1CCCC1=O 62a_200025704644_100000739059 [0,0,0,1,0,0|3,0,0]=4 5073 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_100000090651_200025704644 [0,0,0,1,0,0|3,0,0]=4 5074 B10R1.29 [13CH3]SCCN1CCNC1=O 62a_200025704644_100000090651 [0,0,0,1,0,0|3,0,0]=4 5075 B10R1.78 CN1CCCCCCCC1 2230a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5076 B10R1.78 CN1CCCCCCCC1 269982a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5077 B10R1.78 CN1CCCCCCCC1 34a_100000039187_200000210301 [0,0,0,1,0,0|3,0,0]=4 5078 B10R1.78 [13CH3]N1CCCCCCCC1 2230a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5079 B10R1.78 [13CH3]N1CCCCCCCC1 269982a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5080 B10R1.78 [13CH3]N1CCCCCCCC1 34a_100000039187_200025704644 [0,0,0,1,0,0|3,0,0]=4 5081 B10R1.85 CCCN1CCCCCC1 2230a_100000185865_100000210303 [0,0,0,1,0,0|3,0,0]=4 5082 B10R1.85 CCCN1CCCCCC1 269982a_100000185865_100000210303 [0,0,0,1,0,0|3,0,0]=4 5083 B10R1.85 CCCN1CCCCCC1 34a_100000185865_100000210303 [0,0,0,1,0,0|3,0,0]=4 5084 B10R1.85 CCNC1CCCCCC1 2230a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 5085 B10R1.85 CCNC1CCCCCC1 270004a_100015525214_100000210131 [0,0,0,1,0,0|2,0,1]=4 5086 B10R1.85 CCNC1CCCCCC1 34a_100000210984_100000210202 [0,0,0,1,0,0|2,0,1]=4 5087 B10R1.85 CCOC1CCCCCC1 34a_100000210887_100000210202 [0,0,0,1,0,0|1,0,1]=3 5088 B10R1.85 CCOC1CCCCCC1 34a_100121572206_100011217769 [0,0,0,1,0,0|1,0,1]=3 5089 B10R1.85 CCOC1CCCCCC1 7a_100000210887_100000210202 [0,0,0,1,0,0|1,0,1]=3 5090 B10R1.85 CCSC1CCCCCC1 62a_100000210202_100011217769 [0,0,0,1,0,0|1,1,1]=4 5091 B10R1.85 CCSC1CCCCCC1 62a_100011217769_100000210202 [0,0,0,1,0,0|1,1,1]=4 5092 B10R1.85 FCOC1CCCCCC1 34a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 5093 B10R1.85 FCOC1CCCCCC1 7a_100000210887_100015361967 [0,0,0,1,0,0|2,0,1]=4 5094 B10R1.92 CCCN1CC(C1)OCC 269982a_100000732654_100000210303 [0,0,0,1,0,0|2,0,1]=4 5095 B10R1.92 CCCN1CC(C1)OCC 34a_100000732654_100000210303 [0,0,0,1,0,0|2,0,1]=4 5096 B10R1.96 CCNC1CCC(C1)CC 270004a_100015525214_100011218773 [0,0,0,1,0,0|2,0,1]=4 5097 B10R1.96 CCO[C@H]1CCN(C1)CC 2230a_100011787710_100000210202 [0,0,0,1,0,0|2,0,1]=4 5098 B10R1.96 CCO[C@H]1CCN(C1)CC 269982a_100011787710_100000204670 [0,0,0,1,0,0|2,0,1]=4 5099 B10R1.96 CCO[C@H]1CCN(C1)CC 34a_100011787710_100000210202 [0,0,0,1,0,0|2,0,1]=4 5100 B10R1.135 C#CCC(=O)C1CC1CC 1458a_200011661523_100000184674 [0,0,0,1,0,0|1,0,2]=4 5101 B10R1.135 C=CCC(=O)C1CC1CC 1458a_200011661523_100000210623 [0,0,0,1,0,0|1,0,2]=4 5102 B10R1.135 CCC1CC1C(=O)CC#N 1458a_200011661523_100011214920 [0,0,0,1,0,0|2,0,1]=4 5103 B10R1.135 CCC1CC1C(=O)CCF 1458a_200011661523_100011217306 [0,0,0,1,0,0|2,0,0]=3 5104 B10R1.135 CCC1CC1C(=O)CCO 1458a_200011661523_100000211926 [0,0,0,1,0,0|2,0,0]=3 5105 B10R1.135 CCC1CC1C(=O)NNC 22a_100016993582_200011661523 [0,0,0,1,0,0|2,0,0]=3 5106 B10R1.135 CCCC(=O)C1CC1CC 1458a_200011661523_100000210303 [0,0,0,1,0,0|1,0,0]=2 5107 B10R1.135 CCCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210303 [0,0,0,1,0,0|2,0,1]=4 5108 B10R1.135 CCNC(=O)C1CC1CC 11a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 5109 B10R1.135 CCNC(=O)C1CC1CC 240690a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 5110 B10R1.135 CCNC(=O)C1CC1CC 527a_100015525214_200011661523 [0,0,0,1,0,0|1,0,0]=2 5111 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 11a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 5112 B10R1.135 CCNC(=O)[C@@H]1C[C@H]1C#N 240690a_100015525214_100015294237 [0,0,0,1,0,0|2,0,1]=4 5113 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 5114 B10R1.136 CCCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211992 [0,0,0,1,0,0|3,0,0]=4 5115 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 5116 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 5117 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 5118 B10R1.136 CCCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211992 [0,0,0,1,0,0|3,0,0]=4 5119 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 2708a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 5120 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015190264_100015525214 [0,0,0,1,0,0|3,0,0]=4 5121 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 273464a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 5122 B10R1.136 CCNC(=O)N[C@@H]1C[C@@H]1F 512a_100015525214_100015190264 [0,0,0,1,0,0|3,0,0]=4 5123 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 2708a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 5124 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 273464a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 5125 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100015525214_100025746932 [0,0,0,1,0,0|3,0,0]=4 5126 B10R1.136 CCNC(=O)N[C@@H]1C[C@H]1F 512a_100025746932_100015525214 [0,0,0,1,0,0|3,0,0]=4 5127 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100000763092_100000184674 [0,0,0,1,0,0|1,0,2]=4 5128 B10R1.137 C#CCC(=O)CC1CCC1 1458a_100011220946_100000763275 [0,0,0,1,0,0|1,0,2]=4 5129 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000210193_100000763275 [0,0,0,1,0,0|1,0,2]=4 5130 B10R1.137 C=CCC(=O)CC1CCC1 1458a_100000763092_100000210623 [0,0,0,1,0,0|1,0,2]=4 5131 B10R1.137 C=COC(=O)CN1CCC1 269982a_100000754969_100000036128 [0,0,0,1,0,0|1,0,2]=4 5132 B10R1.137 CC#CC(=O)CC1CCC1 1458a_100000763181_100000763275 [0,0,0,1,0,0|1,0,1]=3 5133 B10R1.137 CC#CC(=O)CC1CCO1 1458a_100000763181_100000103362 [0,0,0,1,0,0|2,0,1]=4 5134 B10R1.137 CC#CC(=O)CC1COC1 1458a_100000763181_100010264016 [0,0,0,1,0,0|2,0,1]=4 5135 B10R1.137 CC=CC(=O)CC1CCC1 1458a_100000210699_100000763275 [0,0,0,1,0,0|1,0,1]=3 5136 B10R1.137 CC=CC(=O)CC1CCO1 1458a_100000210699_100000103362 [0,0,0,1,0,0|2,0,1]=4 5137 B10R1.137 CC=CC(=O)CC1COC1 1458a_100000210699_100010264016 [0,0,0,1,0,0|2,0,1]=4 5138 B10R1.137 CC=CC(=O)NC1CCC1 11a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 5139 B10R1.137 CC=CC(=O)NC1CCC1 1626a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 5140 B10R1.137 CC=CC(=O)NC1CCC1 240690a_100000749019_100000210699 [0,0,0,1,0,0|2,0,1]=4 5141 B10R1.137 CCCC(=O)C=C1CCC1 1458a_100000686340_100000210303 [0,0,0,1,0,0|1,0,2]=4 5142 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000211992_100000763275 [0,0,0,1,0,0|1,0,0]=2 5143 B10R1.137 CCCC(=O)CC1CCC1 1458a_100000763092_100000210303 [0,0,0,1,0,0|1,0,0]=2 5144 B10R1.137 CCCC(=O)CC1CCO1 1458a_100000211992_100000103362 [0,0,0,1,0,0|2,0,0]=3 5145 B10R1.137 CCCC(=O)CC1COC1 1458a_100000211992_100010264016 [0,0,0,1,0,0|2,0,0]=3 5146 B10R1.137 CCCC(=O)CC1COC1 1458a_100000687760_100000210303 [0,0,0,1,0,0|2,0,0]=3 5147 B10R1.137 CCCC(=O)CN1CCC1 269982a_100000754969_100000747444 [0,0,0,1,0,0|2,0,0]=3 5148 B10R1.137 CCCC(=O)NC1CCC1 11a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 5149 B10R1.137 CCCC(=O)NC1CCC1 1626a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 5150 B10R1.137 CCCC(=O)NC1CCC1 240690a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 5151 B10R1.137 CCCC(=O)NC1CCC1 527a_100000749019_100000211992 [0,0,0,1,0,0|2,0,0]=3 5152 B10R1.137 CCCC(=O)NC1COC1 11a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 5153 B10R1.137 CCCC(=O)NC1COC1 1626a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 5154 B10R1.137 CCCC(=O)NC1COC1 240690a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 5155 B10R1.137 CCCC(=O)NC1COC1 527a_100016991112_100000211992 [0,0,0,1,0,0|3,0,0]=4 5156 B10R1.137 CCCC(=O)NC1CSC1 11a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 5157 B10R1.137 CCCC(=O)NC1CSC1 1626a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 5158 B10R1.137 CCCC(=O)NC1CSC1 240690a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 5159 B10R1.137 CCCC(=O)NC1CSC1 527a_100016994217_100000211992 [0,0,0,1,0,0|3,0,0]=4 5160 B10R1.137 CCCN(C)CC1CCC1 2230a_100000747261_100000763275 [0,0,0,1,0,0|3,0,0]=4 5161 B10R1.137 CCCN(C)CC1CCC1 2230a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 5162 B10R1.137 CCCN(C)CC1CCC1 269982a_100000747261_100000763275 [0,0,0,1,0,0|3,0,0]=4 5163 B10R1.137 CCCN(C)CC1CCC1 269982a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 5164 B10R1.137 CCCN(C)CC1CCC1 34a_200000750244_100000210303 [0,0,0,1,0,0|3,0,0]=4 5165 B10R1.137 CCNC(=O)C=C1CCC1 11a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 5166 B10R1.137 CCNC(=O)C=C1CCC1 240690a_100015525214_100000686340 [0,0,0,1,0,0|1,0,2]=4 5167 B10R1.137 CCNC(=O)CC1CCC1 11a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 5168 B10R1.137 CCNC(=O)CC1CCC1 240690a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 5169 B10R1.137 CCNC(=O)CC1CCC1 527a_100015525214_100000763092 [0,0,0,1,0,0|1,0,0]=2 5170 B10R1.137 CCNC(=O)CC1COC1 11a_100015525214_100000687760 [0,0,0,1,0,0|2,0,0]=3 5171 B10R1.137 CCNC(=O)CN1CCC1 269982a_100000754969_100000183381 [0,0,0,1,0,0|2,0,0]=3 5172 B10R1.137 CCNC(=O)NC1CCC1 2708a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 5173 B10R1.137 CCNC(=O)NC1CCC1 273464a_100000749019_100015525214 [0,0,0,1,0,0|2,0,0]=3 5174 B10R1.137 CCNC(=O)NC1CCC1 273464a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 5175 B10R1.137 CCNC(=O)NC1CCC1 512a_100000749019_100015525214 [0,0,0,1,0,0|2,0,0]=3 5176 B10R1.137 CCNC(=O)NC1CCC1 512a_100015525214_100000749019 [0,0,0,1,0,0|2,0,0]=3 5177 B10R1.137 CCNC(=O)NC1COC1 2708a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 5178 B10R1.137 CCNC(=O)NC1COC1 2708a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 5179 B10R1.137 CCNC(=O)NC1COC1 273464a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 5180 B10R1.137 CCNC(=O)NC1COC1 273464a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 5181 B10R1.137 CCNC(=O)NC1COC1 512a_100015525214_100016991112 [0,0,0,1,0,0|3,0,0]=4 5182 B10R1.137 CCNC(=O)NC1COC1 512a_100016991112_100015525214 [0,0,0,1,0,0|3,0,0]=4 5183 B10R1.137 CCNC(=O)NC1CSC1 2708a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 5184 B10R1.137 CCNC(=O)NC1CSC1 2708a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 5185 B10R1.137 CCNC(=O)NC1CSC1 273464a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 5186 B10R1.137 CCNC(=O)NC1CSC1 273464a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 5187 B10R1.137 CCNC(=O)NC1CSC1 512a_100015525214_100016994217 [0,0,0,1,0,0|3,0,0]=4 5188 B10R1.137 CCNC(=O)NC1CSC1 512a_100016994217_100015525214 [0,0,0,1,0,0|3,0,0]=4 5189 B10R1.137 CCOC(=O)CN1CCC1 269982a_100000754969_100000188475 [0,0,0,1,0,0|1,0,0]=2 5190 B10R1.137 CNNC(=O)CC1CCC1 22a_100016993582_100000763092 [0,0,0,1,0,0|2,0,0]=3 5191 B10R1.137 CNNC(=O)CC1COC1 22a_100016993582_100000687760 [0,0,0,1,0,0|3,0,0]=4 5192 B10R1.137 CNNC(=O)NC1CCC1 273464a_100000749019_100016993582 [0,0,0,1,0,0|3,0,0]=4 5193 B10R1.137 CNNC(=O)NC1CCC1 512a_100000749019_100016993582 [0,0,0,1,0,0|3,0,0]=4 5194 B10R1.137 CNNC(=O)NC1CCC1 512a_100016993582_100000749019 [0,0,0,1,0,0|3,0,0]=4 5195 B10R1.137 COCC(=O)CC1CCC1 1458a_100000210968_100000763275 [0,0,0,1,0,0|2,0,0]=3 5196 B10R1.137 COCC(=O)CC1CCO1 1458a_100000210968_100000103362 [0,0,0,1,0,0|3,0,0]=4 5197 B10R1.137 COCC(=O)CC1COC1 1458a_100000210968_100010264016 [0,0,0,1,0,0|3,0,0]=4 5198 B10R1.137 COCC(=O)NC1CCC1 11a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 5199 B10R1.137 COCC(=O)NC1CCC1 1626a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 5200 B10R1.137 COCC(=O)NC1CCC1 240690a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 5201 B10R1.137 COCC(=O)NC1CCC1 527a_100000749019_100000210968 [0,0,0,1,0,0|3,0,0]=4 5202 B10R1.137 CSCC(=O)CC1CCC1 1458a_100000184570_100000763275 [0,0,0,1,0,0|2,0,0]=3 5203 B10R1.137 CSCC(=O)CC1CCO1 1458a_100000184570_100000103362 [0,0,0,1,0,0|3,0,0]=4 5204 B10R1.137 CSCC(=O)CC1COC1 1458a_100000184570_100010264016 [0,0,0,1,0,0|3,0,0]=4 5205 B10R1.137 CSCC(=O)NC1CCC1 11a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 5206 B10R1.137 CSCC(=O)NC1CCC1 1626a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 5207 B10R1.137 CSCC(=O)NC1CCC1 240690a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 5208 B10R1.137 CSCC(=O)NC1CCC1 527a_100000749019_100000184570 [0,0,0,1,0,0|3,0,0]=4 5209 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100000763092_100011214920 [0,0,0,1,0,0|2,0,1]=4 5210 B10R1.137 N#CCC(=O)CC1CCC1 1458a_100051588842_100000763275 [0,0,0,1,0,0|2,0,1]=4 5211 B10R1.137 O=C(C=CBr)CC1CCC1 1458a_100016273825_100000763275 [0,0,0,1,0,0|2,0,1]=4 5212 B10R1.137 O=C(C=CCl)CC1CCC1 1458a_200016279998_100000763275 [0,0,0,1,0,0|2,0,1]=4 5213 B10R1.137 O=C(C=CI)CC1CCC1 1458a_100016256311_100000763275 [0,0,0,1,0,0|2,0,1]=4 5214 B10R1.137 O=C(CCF)CC1CCC1 1458a_100000763092_100011217306 [0,0,0,1,0,0|2,0,0]=3 5215 B10R1.137 O=C(CCF)CC1COC1 1458a_100000687760_100011217306 [0,0,0,1,0,0|3,0,0]=4 5216 B10R1.137 O=C(CCO)CC1CCC1 1458a_100000763092_100000211926 [0,0,0,1,0,0|2,0,0]=3 5217 B10R1.137 O=C(CCO)CC1CCC1 1458a_100011216618_100000763275 [0,0,0,1,0,0|2,0,0]=3 5218 B10R1.137 O=C(CCO)CC1CCO1 1458a_100011216618_100000103362 [0,0,0,1,0,0|3,0,0]=4 5219 B10R1.137 O=C(CCO)CC1COC1 1458a_100000687760_100000211926 [0,0,0,1,0,0|3,0,0]=4 5220 B10R1.137 O=C(CCO)CC1COC1 1458a_100011216618_100010264016 [0,0,0,1,0,0|3,0,0]=4 5221 B10R1.137 O=C(CCO)NC1CCC1 240690a_100000749019_100011216618 [0,0,0,1,0,0|3,0,0]=4 5222 B10R1.137 O=C(CN1CCC1)NCO 269982a_100000754969_100000185155 [0,0,0,1,0,0|3,0,0]=4 5223 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100000756386_100000184674 [0,0,0,1,0,0|1,0,2]=4 5224 B10R1.138 C#CCC(=O)CCC1CC1 1458a_100011220946_100000694398 [0,0,0,1,0,0|1,0,2]=4 5225 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000210193_100000694398 [0,0,0,1,0,0|1,0,2]=4 5226 B10R1.138 C=CCC(=O)CCC1CC1 1458a_100000756386_100000210623 [0,0,0,1,0,0|1,0,2]=4 5227 B10R1.138 C=COC(=O)CNC1CC1 34a_100000212008_100000036128 [0,0,0,1,0,0|1,0,2]=4 5228 B10R1.138 C=COC(=O)CSC1CC1 62a_100000036128_100000211595 [0,0,0,1,0,0|1,0,2]=4 5229 B10R1.138 CC#CC(=O)CCC1CC1 1458a_100000763181_100000694398 [0,0,0,1,0,0|1,0,1]=3 5230 B10R1.138 CC#CC(=O)CCC1CO1 1458a_100000763181_100000732470 [0,0,0,1,0,0|2,0,1]=4 5231 B10R1.138 CC=CC(=O)CCC1CC1 1458a_100000210699_100000694398 [0,0,0,1,0,0|1,0,1]=3 5232 B10R1.138 CC=CC(=O)CCC1CO1 1458a_100000210699_100000732470 [0,0,0,1,0,0|2,0,1]=4 5233 B10R1.138 CC=CC(=O)NCC1CC1 11a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 5234 B10R1.138 CC=CC(=O)NCC1CC1 1626a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 5235 B10R1.138 CC=CC(=O)NCC1CC1 240690a_100000735609_100000210699 [0,0,0,1,0,0|2,0,1]=4 5236 B10R1.138 CCCC(=O)C=CC1CC1 1458a_100102529529_100000210303 [0,0,0,1,0,0|1,0,2]=4 5237 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000211992_100000694398 [0,0,0,1,0,0|1,0,0]=2 5238 B10R1.138 CCCC(=O)CCC1CC1 1458a_100000756386_100000210303 [0,0,0,1,0,0|1,0,0]=2 5239 B10R1.138 CCCC(=O)CCC1CO1 1458a_100000211992_100000732470 [0,0,0,1,0,0|2,0,0]=3 5240 B10R1.138 CCCC(=O)CSC1CC1 62a_100000747444_100000211595 [0,0,0,1,0,0|2,0,0]=3 5241 B10R1.138 CCCC(=O)NCC1CC1 11a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 5242 B10R1.138 CCCC(=O)NCC1CC1 1626a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 5243 B10R1.138 CCCC(=O)NCC1CC1 240690a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 5244 B10R1.138 CCCC(=O)NCC1CC1 527a_100000735609_100000211992 [0,0,0,1,0,0|2,0,0]=3 5245 B10R1.138 CCCC(=O)NNC1CC1 22a_100000701032_100000211992 [0,0,0,1,0,0|3,0,0]=4 5246 B10R1.138 CCCN(C)CCC1CC1 2230a_100000747261_100000694398 [0,0,0,1,0,0|3,0,0]=4 5247 B10R1.138 CCCN(C)CCC1CC1 269982a_100000747261_100000694398 [0,0,0,1,0,0|3,0,0]=4 5248 B10R1.138 CCNC(=O)C=CC1CC1 11a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 5249 B10R1.138 CCNC(=O)C=CC1CC1 240690a_100015525214_100102529529 [0,0,0,1,0,0|1,0,2]=4 5250 B10R1.138 CCNC(=O)CCC1CC1 11a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 5251 B10R1.138 CCNC(=O)CCC1CC1 240690a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 5252 B10R1.138 CCNC(=O)CCC1CC1 527a_100015525214_100000756386 [0,0,0,1,0,0|1,0,0]=2 5253 B10R1.138 CCNC(=O)CNC1CC1 34a_100000212008_100000183381 [0,0,0,1,0,0|2,0,0]=3 5254 B10R1.138 CCNC(=O)CSC1CC1 62a_100000183381_100000211595 [0,0,0,1,0,0|2,0,0]=3 5255 B10R1.138 CCNC(=O)NCC1CC1 2708a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 5256 B10R1.138 CCNC(=O)NCC1CC1 2708a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 5257 B10R1.138 CCNC(=O)NCC1CC1 273464a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 5258 B10R1.138 CCNC(=O)NCC1CC1 273464a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 5259 B10R1.138 CCNC(=O)NCC1CC1 512a_100000735609_100015525214 [0,0,0,1,0,0|2,0,0]=3 5260 B10R1.138 CCNC(=O)NCC1CC1 512a_100015525214_100000735609 [0,0,0,1,0,0|2,0,0]=3 5261 B10R1.138 CCNC(=O)NNC1CC1 273464a_100015525214_100000701032 [0,0,0,1,0,0|3,0,0]=4 5262 B10R1.138 CCNC(=O)NNC1CC1 512a_100000701032_100015525214 [0,0,0,1,0,0|3,0,0]=4 5263 B10R1.138 CCNC(=O)NNC1CC1 512a_100015525214_100000701032 [0,0,0,1,0,0|3,0,0]=4 5264 B10R1.138 CCOC(=O)CNC1CC1 34a_100000212008_100000188475 [0,0,0,1,0,0|1,0,0]=2 5265 B10R1.138 CCOC(=O)CSC1CC1 62a_100000188475_100000211595 [0,0,0,1,0,0|1,0,0]=2 5266 B10R1.138 CNNC(=O)CCC1CC1 22a_100016993582_100000756386 [0,0,0,1,0,0|2,0,0]=3 5267 B10R1.138 CNNC(=O)NCC1CC1 273464a_100000735609_100016993582 [0,0,0,1,0,0|3,0,0]=4 5268 B10R1.138 CNNC(=O)NCC1CC1 512a_100000735609_100016993582 [0,0,0,1,0,0|3,0,0]=4 5269 B10R1.138 CNNC(=O)NCC1CC1 512a_100016993582_100000735609 [0,0,0,1,0,0|3,0,0]=4 5270 B10R1.138 COCC(=O)CCC1CC1 1458a_100000210968_100000694398 [0,0,0,1,0,0|2,0,0]=3 5271 B10R1.138 COCC(=O)CCC1CO1 1458a_100000210968_100000732470 [0,0,0,1,0,0|3,0,0]=4 5272 B10R1.138 COCC(=O)NCC1CC1 11a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 5273 B10R1.138 COCC(=O)NCC1CC1 1626a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 5274 B10R1.138 COCC(=O)NCC1CC1 240690a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 5275 B10R1.138 COCC(=O)NCC1CC1 527a_100000735609_100000210968 [0,0,0,1,0,0|3,0,0]=4 5276 B10R1.138 CSCC(=O)CCC1CC1 1458a_100000184570_100000694398 [0,0,0,1,0,0|2,0,0]=3 5277 B10R1.138 CSCC(=O)CCC1CO1 1458a_100000184570_100000732470 [0,0,0,1,0,0|3,0,0]=4 5278 B10R1.138 CSCC(=O)NCC1CC1 11a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 5279 B10R1.138 CSCC(=O)NCC1CC1 1626a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 5280 B10R1.138 CSCC(=O)NCC1CC1 240690a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 5281 B10R1.138 CSCC(=O)NCC1CC1 527a_100000735609_100000184570 [0,0,0,1,0,0|3,0,0]=4 5282 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100000756386_100011214920 [0,0,0,1,0,0|2,0,1]=4 5283 B10R1.138 N#CCC(=O)CCC1CC1 1458a_100051588842_100000694398 [0,0,0,1,0,0|2,0,1]=4 5284 B10R1.138 O=C(C=CBr)CCC1CC1 1458a_100016273825_100000694398 [0,0,0,1,0,0|2,0,1]=4 5285 B10R1.138 O=C(C=CCl)CCC1CC1 1458a_200016279998_100000694398 [0,0,0,1,0,0|2,0,1]=4 5286 B10R1.138 O=C(C=CI)CCC1CC1 1458a_100016256311_100000694398 [0,0,0,1,0,0|2,0,1]=4 5287 B10R1.138 O=C(CCF)CCC1CC1 1458a_100000756386_100011217306 [0,0,0,1,0,0|2,0,0]=3 5288 B10R1.138 O=C(CCO)CCC1CC1 1458a_100000756386_100000211926 [0,0,0,1,0,0|2,0,0]=3 5289 B10R1.138 O=C(CCO)CCC1CC1 1458a_100011216618_100000694398 [0,0,0,1,0,0|2,0,0]=3 5290 B10R1.138 O=C(CCO)CCC1CO1 1458a_100011216618_100000732470 [0,0,0,1,0,0|3,0,0]=4 5291 B10R1.138 O=C(CCO)NCC1CC1 240690a_100000735609_100011216618 [0,0,0,1,0,0|3,0,0]=4 5292 B10R1.138 O=C(CNC1CC1)NCO 34a_100000212008_100000185155 [0,0,0,1,0,0|3,0,0]=4 5293 B10R1.138 O=C(CSC1CC1)NCO 62a_100000185155_100000211595 [0,0,0,1,0,0|3,0,0]=4 5294 B10R1.139 CC1CCN1C(=O)CCO 240690a_100000755817_100011216618 [0,0,0,1,0,0|3,0,0]=4 5295 B10R1.139 CC=CC(=O)N1CCC1C 11a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 5296 B10R1.139 CC=CC(=O)N1CCC1C 240690a_100000755817_100000210699 [0,0,0,1,0,0|2,0,1]=4 5297 B10R1.139 CCCC(=O)C1CCC1=O 1458a_100000211992_100009892977 [0,0,0,1,0,0|2,0,1]=4 5298 B10R1.139 CCCC(=O)N1CCC1C 11a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 5299 B10R1.139 CCCC(=O)N1CCC1C 240690a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 5300 B10R1.139 CCCC(=O)N1CCC1C 527a_100000755817_100000211992 [0,0,0,1,0,0|2,0,0]=3 5301 B10R1.139 CCNC(=O)N1CCC1C 2708a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 5302 B10R1.139 CCNC(=O)N1CCC1C 273464a_100015525214_100000755817 [0,0,0,1,0,0|2,0,0]=3 5303 B10R1.139 COCC(=O)N1CCC1C 11a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 5304 B10R1.139 COCC(=O)N1CCC1C 240690a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 5305 B10R1.139 COCC(=O)N1CCC1C 527a_100000755817_100000210968 [0,0,0,1,0,0|3,0,0]=4 5306 B10R1.139 CSCC(=O)N1CCC1C 11a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 5307 B10R1.139 CSCC(=O)N1CCC1C 240690a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 5308 B10R1.139 CSCC(=O)N1CCC1C 527a_100000755817_100000184570 [0,0,0,1,0,0|3,0,0]=4 5309 B10R1.186 C#CCCCC(=O)C1CC1 1458a_100000210395_100000731252 [0,0,0,1,0,0|1,0,2]=4 5310 B10R1.186 C=CCCCC(=O)C1CC1 1458a_100000210395_100000757094 [0,0,0,1,0,0|1,0,2]=4 5311 B10R1.186 CC/C=C\CC(=O)C1CC1 1458a_100000210395_100103147603 [0,0,0,1,0,0|1,0,2]=4 5312 B10R1.186 CCC#CCC(=O)C1CC1 1458a_100000210395_100009813939 [0,0,0,1,0,0|1,0,2]=4 5313 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,0,0,1,0,0|1,0,0]=2 5314 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,0,0,1,0,0|2,0,0]=3 5315 B10R1.186 CCCCCN(C)C1CC1 2230a_100000226674_100000210326 [0,0,0,1,0,0|3,0,0]=4 5316 B10R1.186 CCCCCN(C)C1CC1 269982a_100000223495_100000211595 [0,0,0,1,0,0|3,0,0]=4 5317 B10R1.186 CCCCCN(C)C1CC1 269982a_100000226674_100000210215 [0,0,0,1,0,0|3,0,0]=4 5318 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 5319 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 5320 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 5321 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,0,0,1,0,0|2,0,0]=3 5322 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,0,0,1,0,0|3,0,0]=4 5323 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,0,0,1,0,0|3,0,0]=4 5324 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,0,0,1,0,0|3,0,0]=4 5325 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,0,0,1,0,0|3,0,0]=4 5326 B10R1.186 CCCNNC(=O)C1CC1 22a_100000740057_100000210395 [0,0,0,1,0,0|3,0,0]=4 5327 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,0,0,1,0,0|2,0,0]=3 5328 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,0,0,1,0,0|2,0,0]=3 5329 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,0,0,1,0,0|2,0,0]=3 5330 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,0,0,1,0,0|2,0,0]=3 5331 B10R1.186 CCNCOC(=O)C1CC1 2230a_100015525214_100000140896 [0,0,0,1,0,0|3,0,0]=4 5332 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,0,0,1,0,0|2,0,0]=3 5333 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,0,0,1,0,0|3,0,0]=4 5334 B10R1.186 CCOCOC(=O)C1CC1 34a_100121572206_100000140896 [0,0,0,1,0,0|3,0,0]=4 5335 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,0,0,1,0,0|2,0,0]=3 5336 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,0,0,1,0,0|3,0,0]=4 5337 B10R1.186 CCSCOC(=O)C1CC1 62a_100000140896_100000210202 [0,0,0,1,0,0|3,0,0]=4 5338 B10R1.186 CCSCOC(=O)C1CC1 62a_100000210202_100000140896 [0,0,0,1,0,0|3,0,0]=4 5339 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,0,0,1,0,0|2,0,0]=3 5340 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,0,0,1,0,0|3,0,0]=4 5341 B10R1.186 COCCNC(=O)C1CC1 1626a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 5342 B10R1.186 COCCNC(=O)C1CC1 240690a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 5343 B10R1.186 COCCNC(=O)C1CC1 527a_100000209980_100000210395 [0,0,0,1,0,0|3,0,0]=4 5344 B10R1.186 COCSCC(=O)C1CC1 62a_100000746382_100000766300 [0,0,0,1,0,0|3,0,0]=4 5345 B10R1.186 COCSCC(=O)C1CC1 62a_100000766300_100000746382 [0,0,0,1,0,0|3,0,0]=4 5346 B10R1.186 CSCCNC(=O)C1CC1 11a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 5347 B10R1.186 CSCCNC(=O)C1CC1 1626a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 5348 B10R1.186 CSCCNC(=O)C1CC1 240690a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 5349 B10R1.186 CSCCNC(=O)C1CC1 527a_100020590264_100000210395 [0,0,0,1,0,0|3,0,0]=4 5350 B10R1.186 CSCOCC(=O)C1CC1 34a_100000686663_100011218213 [0,0,0,1,0,0|3,0,0]=4 5351 B10R1.186 CSCSCC(=O)C1CC1 62a_100000746382_100011218213 [0,0,0,1,0,0|3,0,0]=4 5352 B10R1.186 CSCSCC(=O)C1CC1 62a_100011218213_100000746382 [0,0,0,1,0,0|3,0,0]=4 5353 B10R1.186 N#CCCCC(=O)C1CC1 1458a_100000210395_100000211468 [0,0,0,1,0,0|2,0,1]=4 5354 B10R1.186 NCCOCC(=O)C1CC1 34a_100000210304_100000746382 [0,0,0,1,0,0|3,0,0]=4 5355 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,0,0,1,0,0|2,0,0]=3 5356 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,0,0,1,0,0|3,0,0]=4 5357 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,0,0,1,0,0|2,0,0]=3 5358 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,0,0,1,0,0|3,0,0]=4 5359 B10R1.186 O=C(CNCCF)C1CC1 34a_100000724931_100000746382 [0,0,0,1,0,0|3,0,0]=4 5360 B10R1.186 O=C(CNCCO)C1CC1 2230a_100016997473_100000746382 [0,0,0,1,0,0|3,0,0]=4 5361 B10R1.186 O=C(CNCCO)C1CC1 34a_100016990907_100000746382 [0,0,0,1,0,0|3,0,0]=4 5362 B10R1.186 O=C(COCCBr)C1CC1 34a_100000211926_100000746382 [0,0,0,1,0,0|3,0,0]=4 5363 B10R1.186 O=C(COCCF)C1CC1 34a_100000686663_100011217306 [0,0,0,1,0,0|3,0,0]=4 5364 B10R1.186 O=C(COCCO)C1CC1 34a_100000686663_100000211926 [0,0,0,1,0,0|3,0,0]=4 5365 B10R1.186 O=C(CSCCF)C1CC1 62a_100000746382_100011217306 [0,0,0,1,0,0|3,0,0]=4 5366 B10R1.186 O=C(CSCCF)C1CC1 62a_100011217306_100000746382 [0,0,0,1,0,0|3,0,0]=4 5367 B10R1.186 O=C(CSCCO)C1CC1 62a_100000211926_100000746382 [0,0,0,1,0,0|3,0,0]=4 5368 B10R1.186 O=C(CSCCO)C1CC1 62a_100000746382_100000211926 [0,0,0,1,0,0|3,0,0]=4 5369 B10R1.186 O=C(NCCCF)C1CC1 11a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 5370 B10R1.186 O=C(NCCCF)C1CC1 1626a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 5371 B10R1.186 O=C(NCCCF)C1CC1 240690a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 5372 B10R1.186 O=C(NCCCF)C1CC1 527a_100015189416_100000210395 [0,0,0,1,0,0|3,0,0]=4 5373 B10R1.186 O=C(NCCCO)C1CC1 240690a_100000182051_100000210395 [0,0,0,1,0,0|3,0,0]=4 5374 B10R1.186 O=C(NCCCO)C1CC1 527a_100000182051_100000210395 [0,0,0,1,0,0|3,0,0]=4 5375 B10R1.197 CCC1CCCN(CC1)C 2230a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 5376 B10R1.197 CCC1CCCN(CC1)C 269982a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 5377 B10R1.197 CCC1CCCN(CC1)C 34a_100000757272_200000210301 [0,0,0,1,0,0|3,0,0]=4 5378 B10R1.197 CCC1CCCN(CC1)[13CH3] 2230a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 5379 B10R1.197 CCC1CCCN(CC1)[13CH3] 269982a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 5380 B10R1.197 CCC1CCCN(CC1)[13CH3] 34a_100000757272_200025704644 [0,0,0,1,0,0|3,0,0]=4 5381 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,0,0,1,0,0|2,0,0]=3 5382 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,0,0,1,0,0|2,0,0]=3 5383 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,0,0,1,0,0|3,0,0]=4 5384 B10R1.245 CCC1C(=O)NCCN1C 2230a_100000187962_200000210301 [0,0,0,1,0,0|3,0,0]=4 5385 B10R1.245 CCC1C(=O)NCCN1C 269982a_100000187962_200000210301 [0,0,0,1,0,0|3,0,0]=4 5386 B10R1.245 CCC1C(=O)NCCN1C 34a_100000187962_200000210301 [0,0,0,1,0,0|3,0,0]=4 5387 B10R1.245 CCC1C(=O)NCCN1[13CH3] 2230a_100000187962_200025704644 [0,0,0,1,0,0|3,0,0]=4 5388 B10R1.245 CCC1C(=O)NCCN1[13CH3] 269982a_100000187962_200025704644 [0,0,0,1,0,0|3,0,0]=4 5389 B10R1.245 CCC1C(=O)NCCN1[13CH3] 34a_100000187962_200025704644 [0,0,0,1,0,0|3,0,0]=4 5390 B10R1.245 CCN1C(CCCC1C)C 2230a_100000210447_100000210202 [0,0,0,1,0,0|2,0,1]=4 5391 B10R1.245 CCN1C(CCCC1C)C 269982a_100000210447_100000204670 [0,0,0,1,0,0|2,0,1]=4 5392 B10R1.245 CCN1C(CCCC1C)C 34a_100000210447_100000210202 [0,0,0,1,0,0|2,0,1]=4 5393 B10R1.377 CC1(CCCCC1)OCF 34a_100011215885_100015361967 [0,0,0,1,0,0|2,0,1]=4 5394 B10R1.377 CC1(CCCCC1)OCF 7a_100011215885_100015361967 [0,0,0,1,0,0|2,0,1]=4 5395 B10R1.377 CCNC1(CCCCC1)C 2230a_100000741114_100000210202 [0,0,0,1,0,0|2,0,1]=4 5396 B10R1.377 CCNC1(CCCCC1)C 34a_100000741114_100000210202 [0,0,0,1,0,0|2,0,1]=4 5397 B10R1.377 CCOC1(CCCCC1)C 34a_100011215885_100000210202 [0,0,0,1,0,0|1,0,1]=3 5398 B10R1.377 CCOC1(CCCCC1)C 7a_100011215885_100000210202 [0,0,0,1,0,0|1,0,1]=3 5399 B10R1.377 CCOC1(CCOCC1)C 34a_100011827762_100000210202 [0,0,0,1,0,0|2,0,1]=4 5400 B10R1.377 CCOC1(CCOCC1)C 7a_100011827762_100000210202 [0,0,0,1,0,0|2,0,1]=4 5401 B10R1.377 CCOC1(CCSCC1)C 34a_200011004327_100000210202 [0,0,0,1,0,0|2,0,1]=4 5402 B10R1.377 CCOC1(CCSCC1)C 7a_200011004327_100000210202 [0,0,0,1,0,0|2,0,1]=4 5403 B10R1.527 CCO[C@@]1(CCC[C@H]1N)C 34a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 5404 B7R0.1 C#CCCCOCC 34a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 5405 B7R0.1 C#CCCCOCC 34a_100121572206_100000695029 [2,0,0,0,0,0|0,0,2]=4 5406 B7R0.1 C#CCCCOCC 7a_100000215630_100000210202 [2,0,0,0,0,0|0,0,2]=4 5407 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,2]=4 5408 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [2,0,0,0,0,0|1,0,1]=4 5409 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [2,0,0,0,0,0|1,0,1]=4 5410 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [2,0,0,0,0,0|1,0,1]=4 5411 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [2,0,0,0,0,0|1,0,1]=4 5412 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 5413 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [2,0,0,0,0,0|0,0,2]=4 5414 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [2,0,0,0,0,0|0,0,2]=4 5415 B7R0.1 CC#CCCOCC 34a_100000750427_100000210202 [2,0,0,0,0,0|0,0,2]=4 5416 B7R0.1 CC/C=C\CCNC 2230a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 5417 B7R0.1 CC/C=C\CCNC 34a_100102657272_100015370543 [2,0,0,0,0,0|1,0,1]=4 5418 B7R0.1 CC/C=C\CCNC 7a_106832991635_100015370543 [2,0,0,0,0,0|1,0,1]=4 5419 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 5420 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|1,0,1]=4 5421 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|1,0,1]=4 5422 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 5423 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|1,0,1]=4 5424 B7R0.1 CC/C=C\CCSC 62a_100015370543_200000210301 [2,0,0,0,0,0|1,0,1]=4 5425 B7R0.1 CC/C=C\CCSC 62a_200000210301_100015370543 [2,0,0,0,0,0|1,0,1]=4 5426 B7R0.1 CC/C=C\CCS[13CH3] 62a_100015370543_200025704644 [2,0,0,0,0,0|1,0,1]=4 5427 B7R0.1 CC/C=C\CCS[13CH3] 62a_200025704644_100015370543 [2,0,0,0,0,0|1,0,1]=4 5428 B7R0.1 CC/C=C\CNCC 2230a_100015525214_100103147603 [2,0,0,0,0,0|1,0,1]=4 5429 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,2]=4 5430 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,2]=4 5431 B7R0.1 CC/C=C\CSCC 62a_100000210202_100103147603 [2,0,0,0,0,0|1,0,1]=4 5432 B7R0.1 CC/C=C\CSCC 62a_100103147603_100000210202 [2,0,0,0,0,0|1,0,1]=4 5433 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|1,0,1]=4 5434 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|1,0,1]=4 5435 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [2,0,0,0,0,0|1,0,1]=4 5436 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [2,0,0,0,0,0|1,0,1]=4 5437 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [2,0,0,0,0,0|1,0,1]=4 5438 B7R0.1 CCC#CCOCC 34a_100000032950_100000210202 [2,0,0,0,0,0|0,0,2]=4 5439 B7R0.1 CCC#CCOCC 34a_100121572206_100009813939 [2,0,0,0,0,0|0,0,2]=4 5440 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [2,0,0,0,0,0|2,0,0]=4 5441 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [2,0,0,0,0,0|1,0,1]=4 5442 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 5443 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [2,0,0,0,0,0|1,0,1]=4 5444 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [2,0,0,0,0,0|1,0,1]=4 5445 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [2,0,0,0,0,0|1,0,1]=4 5446 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [2,0,0,0,0,0|0,0,1]=3 5447 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [2,0,0,0,0,0|0,0,1]=3 5448 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [2,0,0,0,0,0|0,0,1]=3 5449 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [2,0,0,0,0,0|0,0,1]=3 5450 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [2,0,0,0,0,0|0,0,1]=3 5451 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [2,0,0,0,0,0|0,1,1]=4 5452 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [2,0,0,0,0,0|0,1,1]=4 5453 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [2,0,0,0,0,0|0,1,1]=4 5454 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [2,0,0,0,0,0|0,1,1]=4 5455 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [2,0,0,0,0,0|1,0,0]=3 5456 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [2,0,0,0,0,0|1,0,0]=3 5457 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [2,0,0,0,0,0|0,0,0]=2 5458 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [2,0,0,0,0,0|0,0,0]=2 5459 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [2,0,0,0,0,0|0,0,0]=2 5460 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [2,0,0,0,0,0|1,0,0]=3 5461 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [2,0,0,0,0,0|1,0,0]=3 5462 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [2,0,0,0,0,0|0,1,0]=3 5463 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [2,0,0,0,0,0|0,1,0]=3 5464 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [2,0,0,0,0,0|1,1,0]=4 5465 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [2,0,0,0,0,0|1,1,0]=4 5466 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [2,0,0,0,0,0|1,0,1]=4 5467 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [2,0,0,0,0,0|1,0,1]=4 5468 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [2,0,0,0,0,0|1,0,1]=4 5469 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 5470 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [2,0,0,0,0,0|1,0,1]=4 5471 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [2,0,0,0,0,0|1,0,1]=4 5472 B7R0.1 CCCCOCOC 34a_100138415774_100011995733 [2,0,0,0,0,0|1,0,1]=4 5473 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [2,0,0,0,0,0|1,0,1]=4 5474 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [2,0,0,0,0,0|1,0,1]=4 5475 B7R0.1 CCCCSCOC 62a_100000210211_100000766300 [2,0,0,0,0,0|1,0,1]=4 5476 B7R0.1 CCCCSCOC 62a_100000766300_100000210210 [2,0,0,0,0,0|1,0,1]=4 5477 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [2,0,0,0,0,0|1,0,1]=4 5478 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [2,0,0,0,0,0|1,0,1]=4 5479 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [2,0,0,0,0,0|1,0,1]=4 5480 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 5481 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [2,0,0,0,0,0|1,0,1]=4 5482 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [2,0,0,0,0,0|1,0,1]=4 5483 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 5484 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [2,0,0,0,0,0|1,0,1]=4 5485 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 5486 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [2,0,0,0,0,0|1,0,1]=4 5487 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [2,0,0,0,0,0|1,0,1]=4 5488 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [2,0,0,0,0,0|1,0,1]=4 5489 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 5490 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [2,0,0,0,0,0|1,0,1]=4 5491 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [2,0,0,0,0,0|1,0,0]=3 5492 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [2,0,0,0,0,0|1,0,0]=3 5493 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [2,0,0,0,0,0|2,0,0]=4 5494 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 5495 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [2,0,0,0,0,0|2,0,0]=4 5496 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [2,0,0,0,0,0|2,0,0]=4 5497 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [2,0,0,0,0,0|1,0,1]=4 5498 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [2,0,0,0,0,0|1,0,1]=4 5499 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [2,0,0,0,0,0|2,0,0]=4 5500 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [2,0,0,0,0,0|1,0,0]=3 5501 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 5502 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [2,0,0,0,0,0|1,0,0]=3 5503 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [2,0,0,0,0,0|1,1,0]=4 5504 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [2,0,0,0,0,0|1,1,0]=4 5505 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [2,0,0,0,0,0|1,0,0]=3 5506 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 5507 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [2,0,0,0,0,0|1,0,0]=3 5508 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 5509 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [2,0,0,0,0,0|1,0,0]=3 5510 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [2,0,0,0,0,0|1,0,0]=3 5511 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [2,0,0,0,0,0|1,0,0]=3 5512 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [2,0,0,0,0,0|1,0,0]=3 5513 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [2,0,0,0,0,0|1,0,0]=3 5514 B7R0.1 CCOCCCNC 2230a_100000210961_200000210301 [2,0,0,0,0,0|1,0,0]=3 5515 B7R0.1 CCOCCCNC 2230a_106832991635_100012232248 [2,0,0,0,0,0|1,0,0]=3 5516 B7R0.1 CCOCCCNC 34a_100000210961_200000210301 [2,0,0,0,0,0|1,0,0]=3 5517 B7R0.1 CCOCCCNC 34a_100000213112_100000210202 [2,0,0,0,0,0|1,0,0]=3 5518 B7R0.1 CCOCCCNC 34a_100102657272_100012232248 [2,0,0,0,0,0|1,0,0]=3 5519 B7R0.1 CCOCCCNC 7a_106832991635_100012232248 [2,0,0,0,0,0|1,0,0]=3 5520 B7R0.1 CCOCCCN[13CH3] 2230a_100000210961_200025704644 [2,0,0,0,0,0|1,0,0]=3 5521 B7R0.1 CCOCCCN[13CH3] 34a_100000210961_200025704644 [2,0,0,0,0,0|1,0,0]=3 5522 B7R0.1 CCOCCCOC 34a_100000740835_100000210202 [2,0,0,0,0,0|1,0,0]=3 5523 B7R0.1 CCOCCCOC 34a_100000757476_200000210301 [2,0,0,0,0,0|1,0,0]=3 5524 B7R0.1 CCOCCCOC 34a_100121572206_100000740836 [2,0,0,0,0,0|1,0,0]=3 5525 B7R0.1 CCOCCCOC 34a_100138415774_100012232248 [2,0,0,0,0,0|1,0,0]=3 5526 B7R0.1 CCOCCCOC 7a_100000757476_200000210301 [2,0,0,0,0,0|1,0,0]=3 5527 B7R0.1 CCOCCCO[13CH3] 34a_100000757476_200025704644 [2,0,0,0,0,0|1,0,0]=3 5528 B7R0.1 CCOCCCO[13CH3] 7a_100000757476_200025704644 [2,0,0,0,0,0|1,0,0]=3 5529 B7R0.1 CCOCCCSC 34a_100000690336_100000210202 [2,0,0,0,0,0|1,0,0]=3 5530 B7R0.1 CCOCCCSC 62a_100012232248_200000210301 [2,0,0,0,0,0|1,0,0]=3 5531 B7R0.1 CCOCCCSC 62a_200000210301_100012232248 [2,0,0,0,0,0|1,0,0]=3 5532 B7R0.1 CCOCCCSC 7a_100000690336_100000210202 [2,0,0,0,0,0|1,0,0]=3 5533 B7R0.1 CCOCCCS[13CH3] 62a_100012232248_200025704644 [2,0,0,0,0,0|1,0,0]=3 5534 B7R0.1 CCOCCCS[13CH3] 62a_200025704644_100012232248 [2,0,0,0,0,0|1,0,0]=3 5535 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [2,0,0,0,0,0|2,0,0]=4 5536 B7R0.1 CCOCCOCC 34a_100000210136_100000210202 [2,0,0,0,0,0|1,0,0]=3 5537 B7R0.1 CCOCCOCC 34a_100121572206_100000210147 [2,0,0,0,0,0|1,0,0]=3 5538 B7R0.1 CCOCCOCC 7a_100000210136_100000210202 [2,0,0,0,0,0|1,0,0]=3 5539 B7R0.1 CCOCCOCF 34a_100000210136_100015361967 [2,0,0,0,0,0|2,0,0]=4 5540 B7R0.1 CCOCCOCF 7a_100000210136_100015361967 [2,0,0,0,0,0|2,0,0]=4 5541 B7R0.1 CCOCCSCC 34a_100000212035_100000210202 [2,0,0,0,0,0|1,0,0]=3 5542 B7R0.1 CCOCCSCC 34a_100121572206_100000757381 [2,0,0,0,0,0|1,0,0]=3 5543 B7R0.1 CCOCCSCC 62a_100000210147_100000210202 [2,0,0,0,0,0|1,0,0]=3 5544 B7R0.1 CCOCCSCC 62a_100000210202_100011215890 [2,0,0,0,0,0|1,0,0]=3 5545 B7R0.1 CCOCCSCC 7a_100000212035_100000210202 [2,0,0,0,0,0|1,0,0]=3 5546 B7R0.1 CCOCCSCF 62a_100000210147_100015361967 [2,0,0,0,0,0|2,0,0]=4 5547 B7R0.1 CCOCCSCF 62a_100015361967_100011215890 [2,0,0,0,0,0|2,0,0]=4 5548 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [2,0,0,0,0,0|2,0,0]=4 5549 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [2,0,0,0,0,0|2,0,0]=4 5550 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [2,0,0,0,0,0|2,0,0]=4 5551 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [2,0,0,0,0,0|2,0,0]=4 5552 B7R0.1 CCOCSCOC 62a_100000739092_100000766300 [2,0,0,0,0,0|2,0,0]=4 5553 B7R0.1 CCOCSCOC 62a_100000766300_100000739092 [2,0,0,0,0,0|2,0,0]=4 5554 B7R0.1 CCOCSCSC 62a_100000739092_100011218213 [2,0,0,0,0,0|2,0,0]=4 5555 B7R0.1 CCOCSCSC 62a_100011218213_100000739092 [2,0,0,0,0,0|2,0,0]=4 5556 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [2,0,0,0,0,0|1,1,0]=4 5557 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [2,0,0,0,0,0|1,1,0]=4 5558 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [2,0,0,0,0,0|1,1,0]=4 5559 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [2,0,0,0,0,0|1,1,0]=4 5560 B7R0.1 CCSCCCOC 34a_100011216438_200000210301 [2,0,0,0,0,0|1,0,1]=4 5561 B7R0.1 CCSCCCOC 62a_100000210202_100000709357 [2,0,0,0,0,0|1,0,1]=4 5562 B7R0.1 CCSCCCOC 62a_100000709357_100000210202 [2,0,0,0,0,0|1,0,1]=4 5563 B7R0.1 CCSCCCOC 7a_100011216438_200000210301 [2,0,0,0,0,0|1,0,1]=4 5564 B7R0.1 CCSCCCO[13CH3] 34a_100011216438_200025704644 [2,0,0,0,0,0|1,0,1]=4 5565 B7R0.1 CCSCCCO[13CH3] 7a_100011216438_200025704644 [2,0,0,0,0,0|1,0,1]=4 5566 B7R0.1 CCSCCOCF 34a_100000212035_100015361967 [2,0,0,0,0,0|2,0,0]=4 5567 B7R0.1 CCSCCOCF 7a_100000212035_100015361967 [2,0,0,0,0,0|2,0,0]=4 5568 B7R0.1 CCSCCSCC 62a_100000210202_100000757381 [2,0,0,0,0,0|1,1,0]=4 5569 B7R0.1 CCSCCSCC 62a_100000757381_100000210202 [2,0,0,0,0,0|1,1,0]=4 5570 B7R0.1 CNCCCCOC 2230a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 5571 B7R0.1 CNCCCCOC 34a_100102657272_100000755781 [2,0,0,0,0,0|1,0,1]=4 5572 B7R0.1 CNCCCCOC 7a_106832991635_100000730899 [2,0,0,0,0,0|1,0,1]=4 5573 B7R0.1 CNCCCOCF 34a_100000213112_100015361967 [2,0,0,0,0,0|2,0,0]=4 5574 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [2,0,0,0,0,0|1,0,1]=4 5575 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [2,0,0,0,0,0|1,0,1]=4 5576 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [2,0,0,0,0,0|1,0,1]=4 5577 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [2,0,0,0,0,0|1,0,1]=4 5578 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [2,0,0,0,0,0|1,0,1]=4 5579 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [2,0,0,0,0,0|1,0,1]=4 5580 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [2,0,0,0,0,0|1,0,1]=4 5581 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [2,0,0,0,0,0|1,0,1]=4 5582 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [2,0,0,0,0,0|1,0,1]=4 5583 B7R0.1 COCCCCOC 34a_100000740925_200000210301 [2,0,0,0,0,0|1,0,1]=4 5584 B7R0.1 COCCCCOC 34a_100138415774_100000755781 [2,0,0,0,0,0|1,0,1]=4 5585 B7R0.1 COCCCCO[13CH3] 34a_100000740925_200025704644 [2,0,0,0,0,0|1,0,1]=4 5586 B7R0.1 COCCCCSC 34a_100011217163_200000210301 [2,0,0,0,0,0|1,0,1]=4 5587 B7R0.1 COCCCCSC 62a_100000730899_200000210301 [2,0,0,0,0,0|1,0,1]=4 5588 B7R0.1 COCCCCSC 62a_200000210301_100000730899 [2,0,0,0,0,0|1,0,1]=4 5589 B7R0.1 COCCCCSC 7a_100011217163_200000210301 [2,0,0,0,0,0|1,0,1]=4 5590 B7R0.1 COCCCCS[13CH3] 62a_100000730899_200025704644 [2,0,0,0,0,0|1,0,1]=4 5591 B7R0.1 COCCCCS[13CH3] 62a_200025704644_100000730899 [2,0,0,0,0,0|1,0,1]=4 5592 B7R0.1 COCCCOCF 34a_100000740835_100015361967 [2,0,0,0,0,0|2,0,0]=4 5593 B7R0.1 CSCCCCO[13CH3] 34a_100011217163_200025704644 [2,0,0,0,0,0|1,0,1]=4 5594 B7R0.1 CSCCCCO[13CH3] 7a_100011217163_200025704644 [2,0,0,0,0,0|1,0,1]=4 5595 B7R0.1 CSCCCOCF 34a_100000690336_100015361967 [2,0,0,0,0,0|2,0,0]=4 5596 B7R0.1 CSCCCOCF 7a_100000690336_100015361967 [2,0,0,0,0,0|2,0,0]=4 5597 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 5598 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [2,0,0,0,0,0|2,0,0]=4 5599 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [2,0,0,0,0,0|2,0,0]=4 5600 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 5601 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [2,0,0,0,0,0|2,0,0]=4 5602 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [2,0,0,0,0,0|2,0,0]=4 5603 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [2,0,0,0,0,0|2,0,0]=4 5604 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [2,0,0,0,0,0|1,0,1]=4 5605 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [2,0,0,0,0,0|1,0,1]=4 5606 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [2,0,0,0,0,0|1,0,1]=4 5607 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [2,0,0,0,0,0|1,0,1]=4 5608 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [2,0,0,0,0,0|1,0,1]=4 5609 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [2,0,0,0,0,0|1,0,1]=4 5610 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [2,0,0,0,0,0|1,0,1]=4 5611 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [2,0,0,0,0,0|0,0,2]=4 5612 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [2,0,0,0,0,0|0,0,2]=4 5613 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [2,0,0,0,0,0|0,0,2]=4 5614 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [2,0,0,0,0,0|0,0,2]=4 5615 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [2,0,0,0,0,0|0,0,2]=4 5616 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [2,0,0,0,0,0|0,0,2]=4 5617 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [2,0,0,0,0,0|0,0,2]=4 5618 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [2,0,0,0,0,0|0,0,2]=4 5619 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [2,0,0,0,0,0|0,0,2]=4 5620 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [2,0,0,0,0,0|0,0,2]=4 5621 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [2,0,0,0,0,0|0,0,2]=4 5622 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [2,0,0,0,0,0|1,0,1]=4 5623 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [2,0,0,0,0,0|1,0,1]=4 5624 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [2,0,0,0,0,0|1,0,0]=3 5625 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [2,0,0,0,0,0|1,0,0]=3 5626 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [2,0,0,0,0,0|1,0,0]=3 5627 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [2,0,0,0,0,0|1,0,0]=3 5628 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [2,0,0,0,0,0|1,0,0]=3 5629 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [2,0,0,0,0,0|1,0,0]=3 5630 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [2,0,0,0,0,0|2,0,0]=4 5631 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [2,0,0,0,0,0|2,0,0]=4 5632 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [2,0,0,0,0,0|2,0,0]=4 5633 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 5634 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 5635 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 5636 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [2,0,0,0,0,0|2,0,0]=4 5637 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 5638 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [2,0,0,0,0,0|2,0,0]=4 5639 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [2,0,0,0,0,0|0,0,2]=4 5640 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [2,0,0,0,0,0|0,0,0]=2 5641 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [2,0,0,0,0,0|0,0,0]=2 5642 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [2,0,0,0,0,0|1,0,0]=3 5643 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [2,0,0,0,0,0|1,0,0]=3 5644 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [2,0,0,0,0,0|1,0,0]=3 5645 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 5646 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 5647 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [2,0,0,0,0,0|1,0,0]=3 5648 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 5649 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [2,0,0,0,0,0|1,0,1]=4 5650 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [2,0,0,0,0,0|1,0,1]=4 5651 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 5652 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [2,0,0,0,0,0|1,0,1]=4 5653 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [2,0,0,0,0,0|2,0,0]=4 5654 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 5655 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 5656 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [2,0,0,0,0,0|2,0,0]=4 5657 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [2,0,0,0,0,0|2,0,0]=4 5658 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [2,0,0,0,0,0|2,0,0]=4 5659 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 5660 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [2,0,0,0,0,0|2,0,0]=4 5661 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 5662 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 5663 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 5664 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [2,0,0,0,0,0|1,0,0]=3 5665 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 5666 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [2,0,0,0,0,0|2,0,0]=4 5667 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [2,0,0,0,0,0|2,0,0]=4 5668 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 5669 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 5670 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [2,0,0,0,0,0|2,0,0]=4 5671 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [2,0,0,0,0,0|2,0,0]=4 5672 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [2,0,0,0,0,0|2,0,0]=4 5673 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [2,0,0,0,0,0|2,0,0]=4 5674 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [2,0,0,0,0,0|2,0,0]=4 5675 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [2,0,0,0,0,0|1,0,0]=3 5676 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [2,0,0,0,0,0|2,0,0]=4 5677 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [2,0,0,0,0,0|1,0,0]=3 5678 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [2,0,0,0,0,0|1,0,0]=3 5679 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [2,0,0,0,0,0|2,0,0]=4 5680 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [2,0,0,0,0,0|2,0,0]=4 5681 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 5682 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 5683 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [2,0,0,0,0,0|2,0,0]=4 5684 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [2,0,0,0,0,0|2,0,0]=4 5685 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [2,0,0,0,0,0|2,0,0]=4 5686 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [2,0,0,0,0,0|1,0,0]=3 5687 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [2,0,0,0,0,0|1,0,0]=3 5688 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [2,0,0,0,0,0|1,0,0]=3 5689 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [2,0,0,0,0,0|1,0,0]=3 5690 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [2,0,0,0,0,0|2,0,0]=4 5691 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [2,0,0,0,0,0|2,0,0]=4 5692 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 5693 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 5694 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [2,0,0,0,0,0|2,0,0]=4 5695 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [2,0,0,0,0,0|2,0,0]=4 5696 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [2,0,0,0,0,0|2,0,0]=4 5697 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [2,0,0,0,0,0|1,0,0]=3 5698 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [2,0,0,0,0,0|1,0,0]=3 5699 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 5700 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [2,0,0,0,0,0|2,0,0]=4 5701 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [2,0,0,0,0,0|2,0,0]=4 5702 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 5703 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 5704 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [2,0,0,0,0,0|2,0,0]=4 5705 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [2,0,0,0,0,0|2,0,0]=4 5706 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [2,0,0,0,0,0|2,0,0]=4 5707 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [2,0,0,0,0,0|2,0,0]=4 5708 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [2,0,0,0,0,0|2,0,0]=4 5709 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 5710 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 5711 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [2,0,0,0,0,0|2,0,0]=4 5712 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [2,0,0,0,0,0|2,0,0]=4 5713 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [2,0,0,0,0,0|2,0,0]=4 5714 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [2,0,0,0,0,0|2,0,0]=4 5715 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [2,0,0,0,0,0|2,0,0]=4 5716 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 5717 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 5718 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [2,0,0,0,0,0|2,0,0]=4 5719 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [2,0,0,0,0,0|2,0,0]=4 5720 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [2,0,0,0,0,0|2,0,0]=4 5721 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 5722 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [2,0,0,0,0,0|1,0,0]=3 5723 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [2,0,0,0,0,0|1,0,0]=3 5724 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [2,0,0,0,0,0|1,0,0]=3 5725 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [2,0,0,0,0,0|1,0,0]=3 5726 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [2,0,0,0,0,0|1,0,0]=3 5727 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [2,0,0,0,0,0|1,0,0]=3 5728 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [2,0,0,0,0,0|2,0,0]=4 5729 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [2,0,0,0,0,0|2,0,0]=4 5730 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [2,0,0,0,0,0|2,0,0]=4 5731 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [2,0,0,0,0,0|2,0,0]=4 5732 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [2,0,0,0,0,0|2,0,0]=4 5733 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [2,0,0,0,0,0|2,0,0]=4 5734 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [2,0,0,0,0,0|1,0,0]=3 5735 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [2,0,0,0,0,0|2,0,0]=4 5736 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [2,0,0,0,0,0|2,0,0]=4 5737 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [2,0,0,0,0,0|2,0,0]=4 5738 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [2,0,0,0,0,0|2,0,0]=4 5739 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|1,0,1]=4 5740 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|1,0,1]=4 5741 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|1,0,0]=3 5742 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|2,0,0]=4 5743 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|2,0,0]=4 5744 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|2,0,0]=4 5745 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 5746 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|2,0,0]=4 5747 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|2,0,0]=4 5748 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|2,0,0]=4 5749 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|2,0,0]=4 5750 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|2,0,0]=4 5751 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|2,0,0]=4 5752 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|2,0,0]=4 5753 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 5754 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 5755 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 5756 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 5757 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 5758 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 5759 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 5760 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 5761 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 5762 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 5763 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 5764 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 5765 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 5766 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 5767 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 5768 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 5769 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 5770 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 5771 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 5772 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 5773 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 5774 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 5775 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 5776 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 5777 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 5778 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 5779 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 5780 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 5781 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|1,0,0]=3 5782 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|1,0,0]=3 5783 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|1,0,0]=3 5784 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|1,0,0]=3 5785 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|1,0,0]=3 5786 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|1,0,0]=3 5787 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|1,0,0]=3 5788 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [2,0,0,0,0,0|0,0,2]=4 5789 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [2,0,0,0,0,0|0,0,2]=4 5790 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [2,0,0,0,0,0|0,0,2]=4 5791 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [2,0,0,0,0,0|2,0,0]=4 5792 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [2,0,0,0,0,0|2,0,0]=4 5793 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [2,0,0,0,0,0|2,0,0]=4 5794 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [2,0,0,0,0,0|2,0,0]=4 5795 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [2,0,0,0,0,0|2,0,0]=4 5796 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [2,0,0,0,0,0|2,0,0]=4 5797 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [2,0,0,0,0,0|2,0,0]=4 5798 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [2,0,0,0,0,0|2,0,0]=4 5799 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [2,0,0,0,0,0|2,0,0]=4 5800 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,2]=4 5801 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,2]=4 5802 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,2]=4 5803 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [2,0,0,0,0,0|1,0,1]=4 5804 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [2,0,0,0,0,0|1,0,1]=4 5805 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [2,0,0,0,0,0|1,0,0]=3 5806 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [2,0,0,0,0,0|1,0,0]=3 5807 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [2,0,0,0,0,0|1,0,0]=3 5808 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 5809 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [2,0,0,0,0,0|1,0,0]=3 5810 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [2,0,0,0,0,0|1,0,0]=3 5811 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [2,0,0,0,0,0|1,0,0]=3 5812 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 5813 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [2,0,0,0,0,0|2,0,0]=4 5814 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [2,0,0,0,0,0|2,0,0]=4 5815 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [2,0,0,0,0,0|2,0,0]=4 5816 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [2,0,0,0,0,0|2,0,0]=4 5817 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [2,0,0,0,0,0|2,0,0]=4 5818 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [2,0,0,0,0,0|2,0,0]=4 5819 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 5820 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 5821 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [2,0,0,0,0,0|2,0,0]=4 5822 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [2,0,0,0,0,0|2,0,0]=4 5823 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [2,0,0,0,0,0|2,0,0]=4 5824 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [2,0,0,0,0,0|2,0,0]=4 5825 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [2,0,0,0,0,0|2,0,0]=4 5826 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [2,0,0,0,0,0|2,0,0]=4 5827 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [2,0,0,0,0,0|2,0,0]=4 5828 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [2,0,0,0,0,0|2,0,0]=4 5829 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|2,0,0]=4 5830 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|2,0,0]=4 5831 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,2]=4 5832 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,2]=4 5833 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,2]=4 5834 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [2,0,0,0,0,0|0,0,2]=4 5835 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [2,0,0,0,0,0|0,0,2]=4 5836 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [2,0,0,0,0,0|0,0,2]=4 5837 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 5838 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 5839 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [2,0,0,0,0,0|0,0,0]=2 5840 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [2,0,0,0,0,0|0,0,0]=2 5841 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [2,0,0,0,0,0|0,0,0]=2 5842 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 5843 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [2,0,0,0,0,0|2,0,0]=4 5844 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [2,0,0,0,0,0|2,0,0]=4 5845 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [2,0,0,0,0,0|2,0,0]=4 5846 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 5847 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [2,0,0,0,0,0|2,0,0]=4 5848 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 5849 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 5850 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [2,0,0,0,0,0|1,0,0]=3 5851 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [2,0,0,0,0,0|1,0,0]=3 5852 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [2,0,0,0,0,0|2,0,0]=4 5853 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [2,0,0,0,0,0|1,0,0]=3 5854 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [2,0,0,0,0,0|2,0,0]=4 5855 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [2,0,0,0,0,0|1,0,0]=3 5856 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [2,0,0,0,0,0|1,0,0]=3 5857 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [2,0,0,0,0,0|2,0,0]=4 5858 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [2,0,0,0,0,0|1,0,0]=3 5859 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [2,0,0,0,0,0|1,0,1]=4 5860 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [2,0,0,0,0,0|1,0,0]=3 5861 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [2,0,0,0,0,0|2,0,0]=4 5862 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [2,0,0,0,0,0|2,0,0]=4 5863 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [2,0,0,0,0,0|1,0,0]=3 5864 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [2,0,0,0,0,0|1,0,1]=4 5865 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [2,0,0,0,0,0|1,0,1]=4 5866 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [2,0,0,0,0,0|2,0,0]=4 5867 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [2,0,0,0,0,0|2,0,0]=4 5868 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [2,0,0,0,0,0|1,0,0]=3 5869 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [2,0,0,0,0,0|1,0,0]=3 5870 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 5871 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [2,0,0,0,0,0|1,0,0]=3 5872 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 5873 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [2,0,0,0,0,0|2,0,0]=4 5874 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [2,0,0,0,0,0|2,0,0]=4 5875 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [2,0,0,0,0,0|1,0,0]=3 5876 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|2,0,0]=4 5877 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [2,0,0,0,0,0|1,0,0]=3 5878 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [2,0,0,0,0,0|1,0,0]=3 5879 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [2,0,0,0,0,0|1,0,0]=3 5880 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [2,0,0,0,0,0|1,0,0]=3 5881 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [2,0,0,0,0,0|2,0,0]=4 5882 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [2,0,0,0,0,0|2,0,0]=4 5883 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [2,0,0,0,0,0|1,0,0]=3 5884 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|2,0,0]=4 5885 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|2,0,0]=4 5886 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [2,0,0,0,0,0|1,0,0]=3 5887 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [2,0,0,0,0,0|1,0,0]=3 5888 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [2,0,0,0,0,0|2,0,0]=4 5889 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [2,0,0,0,0,0|2,0,0]=4 5890 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [2,0,0,0,0,0|2,0,0]=4 5891 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [2,0,0,0,0,0|2,0,0]=4 5892 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [2,0,0,0,0,0|2,0,0]=4 5893 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 5894 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [2,0,0,0,0,0|2,0,0]=4 5895 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|2,0,0]=4 5896 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|2,0,0]=4 5897 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [2,0,0,0,0,0|1,0,0]=3 5898 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [2,0,0,0,0,0|1,0,0]=3 5899 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 5900 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [2,0,0,0,0,0|1,0,0]=3 5901 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [2,0,0,0,0,0|1,0,0]=3 5902 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [2,0,0,0,0,0|2,0,0]=4 5903 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [2,0,0,0,0,0|1,0,0]=3 5904 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 5905 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [2,0,0,0,0,0|2,0,0]=4 5906 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [2,0,0,0,0,0|2,0,0]=4 5907 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [2,0,0,0,0,0|2,0,0]=4 5908 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|2,0,0]=4 5909 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [2,0,0,0,0,0|2,0,0]=4 5910 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [2,0,0,0,0,0|2,0,0]=4 5911 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [2,0,0,0,0,0|1,0,0]=3 5912 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [2,0,0,0,0,0|1,0,0]=3 5913 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [2,0,0,0,0,0|1,0,0]=3 5914 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [2,0,0,0,0,0|2,0,0]=4 5915 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [2,0,0,0,0,0|2,0,0]=4 5916 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [2,0,0,0,0,0|1,0,0]=3 5917 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 5918 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 5919 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [2,0,0,0,0,0|2,0,0]=4 5920 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [2,0,0,0,0,0|2,0,0]=4 5921 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [2,0,0,0,0,0|2,0,0]=4 5922 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [2,0,0,0,0,0|2,0,0]=4 5923 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|2,0,0]=4 5924 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|2,0,0]=4 5925 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [2,0,0,0,0,0|2,0,0]=4 5926 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [2,0,0,0,0,0|2,0,0]=4 5927 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [2,0,0,0,0,0|2,0,0]=4 5928 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [2,0,0,0,0,0|2,0,0]=4 5929 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [2,0,0,0,0,0|1,0,1]=4 5930 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [2,0,0,0,0,0|1,0,0]=3 5931 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [2,0,0,0,0,0|2,0,0]=4 5932 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [2,0,0,0,0,0|2,0,0]=4 5933 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [2,0,0,0,0,0|2,0,0]=4 5934 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [2,0,0,0,0,0|2,0,0]=4 5935 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [1,1,0,0,0,0|1,0,1]=4 5936 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [1,1,0,0,0,0|2,0,0]=4 5937 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [1,1,0,0,0,0|2,0,0]=4 5938 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [1,1,0,0,0,0|2,0,0]=4 5939 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [1,1,0,0,0,0|2,0,0]=4 5940 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [1,1,0,0,0,0|1,0,0]=3 5941 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [1,1,0,0,0,0|1,0,0]=3 5942 B9R0.4 CC(C)OC(=O)CSCF 62a_100011215430_100015361967 [1,1,0,0,0,0|2,0,0]=4 5943 B9R0.4 CC(C)OC(=O)CSCF 62a_100015361967_100011215430 [1,1,0,0,0,0|2,0,0]=4 5944 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_100000003507_200025704644 [1,1,0,0,0,0|2,0,0]=4 5945 B9R0.4 CC(C)OC(=O)OCS[13CH3] 62a_200025704644_100000003507 [1,1,0,0,0,0|2,0,0]=4 5946 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [1,1,0,0,0,0|1,0,1]=4 5947 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [1,1,0,0,0,0|1,0,1]=4 5948 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [1,1,0,0,0,0|1,0,1]=4 5949 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [1,1,0,0,0,0|1,0,0]=3 5950 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [1,1,0,0,0,0|1,0,0]=3 5951 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [1,1,0,0,0,0|1,0,0]=3 5952 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [1,1,0,0,0,0|2,0,0]=4 5953 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [1,1,0,0,0,0|2,0,0]=4 5954 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [1,1,0,0,0,0|1,0,0]=3 5955 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [1,1,0,0,0,0|2,0,0]=4 5956 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 5957 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 5958 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 5959 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [1,1,0,0,0,0|1,0,0]=3 5960 B9R0.4 CCCCC(C)OC(C)C 34a_100000212225_200011215066 [1,1,0,0,0,0|1,0,1]=4 5961 B9R0.4 CCCCC(C)OC(C)C 34a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 5962 B9R0.4 CCCCC(C)OC(C)C 7a_100000687866_100000210206 [1,1,0,0,0,0|1,0,1]=4 5963 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 5964 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 5965 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 5966 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [1,1,0,0,0,0|2,0,0]=4 5967 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [1,1,0,0,0,0|2,0,0]=4 5968 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 5969 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 5970 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 5971 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [1,1,0,0,0,0|2,0,0]=4 5972 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [1,1,0,0,0,0|2,0,0]=4 5973 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [1,1,0,0,0,0|2,0,0]=4 5974 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [1,1,0,0,0,0|2,0,0]=4 5975 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [1,1,0,0,0,0|1,0,0]=3 5976 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [1,1,0,0,0,0|2,0,0]=4 5977 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [1,1,0,0,0,0|2,0,0]=4 5978 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 5979 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 5980 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 5981 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [1,1,0,0,0,0|2,0,0]=4 5982 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [1,1,0,0,0,0|2,0,0]=4 5983 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [1,1,0,0,0,0|1,0,0]=3 5984 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [1,1,0,0,0,0|2,0,0]=4 5985 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [1,1,0,0,0,0|2,0,0]=4 5986 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 5987 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 5988 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 5989 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [1,1,0,0,0,0|2,0,0]=4 5990 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [1,1,0,0,0,0|2,0,0]=4 5991 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [1,1,0,0,0,0|2,0,0]=4 5992 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [1,1,0,0,0,0|1,0,0]=3 5993 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [1,1,0,0,0,0|1,0,0]=3 5994 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 5995 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [1,1,0,0,0,0|2,0,0]=4 5996 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 5997 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [1,1,0,0,0,0|1,0,0]=3 5998 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [1,1,0,0,0,0|2,0,0]=4 5999 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [1,1,0,0,0,0|2,0,0]=4 6000 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [1,1,0,0,0,0|2,0,0]=4 6001 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [1,1,0,0,0,0|2,0,0]=4 6002 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 6003 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 6004 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 6005 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [1,1,0,0,0,0|2,0,0]=4 6006 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [1,1,0,0,0,0|2,0,0]=4 6007 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [1,1,0,0,0,0|2,0,0]=4 6008 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [1,1,0,0,0,0|2,0,0]=4 6009 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [1,1,0,0,0,0|2,0,0]=4 6010 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 6011 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 6012 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 6013 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [1,1,0,0,0,0|2,0,0]=4 6014 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [1,1,0,0,0,0|2,0,0]=4 6015 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [1,1,0,0,0,0|2,0,0]=4 6016 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [1,1,0,0,0,0|1,0,0]=3 6017 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [1,1,0,0,0,0|1,0,0]=3 6018 B9R0.4 CSCOC(=O)OC(C)C 62a_100000003507_200000210301 [1,1,0,0,0,0|2,0,0]=4 6019 B9R0.4 CSCOC(=O)OC(C)C 62a_200000210301_100000003507 [1,1,0,0,0,0|2,0,0]=4 6020 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [1,1,0,0,0,0|2,0,0]=4 6021 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [1,1,0,0,0,0|2,0,0]=4 6022 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [1,1,0,0,0,0|1,0,1]=4 6023 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [1,1,0,0,0,0|2,0,0]=4 6024 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [1,1,0,0,0,0|2,0,0]=4 6025 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [1,1,0,0,0,0|2,0,0]=4 6026 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [1,1,0,0,0,0|2,0,0]=4 6027 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [1,1,0,0,0,0|2,0,0]=4 6028 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [1,1,0,0,0,0|2,0,0]=4 6029 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [1,1,0,0,0,0|2,0,0]=4 6030 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [1,1,0,0,0,0|2,0,0]=4 6031 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [1,1,0,0,0,0|2,0,0]=4 6032 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [1,1,0,0,0,0|2,0,0]=4 6033 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [1,1,0,0,0,0|2,0,0]=4 6034 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [1,1,0,0,0,0|1,0,0]=3 6035 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [1,1,0,0,0,0|1,0,0]=3 6036 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [1,1,0,0,0,0|2,0,0]=4 6037 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [1,1,0,0,0,0|2,0,0]=4 6038 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [1,1,0,0,0,0|1,0,0]=3 6039 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [1,1,0,0,0,0|2,0,0]=4 6040 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 6041 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 6042 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 6043 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [1,1,0,0,0,0|1,0,0]=3 6044 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [1,1,0,0,0,0|2,0,0]=4 6045 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 6046 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 6047 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 6048 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [1,1,0,0,0,0|2,0,0]=4 6049 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [1,1,0,0,0,0|2,0,0]=4 6050 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 6051 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [1,1,0,0,0,0|2,0,0]=4 6052 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 6053 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 6054 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 6055 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [1,1,0,0,0,0|2,0,0]=4 6056 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 6057 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 6058 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 6059 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [1,1,0,0,0,0|2,0,0]=4 6060 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [1,1,0,0,0,0|2,0,0]=4 6061 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [1,1,0,0,0,0|2,0,0]=4 6062 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 6063 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 6064 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 6065 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [1,1,0,0,0,0|2,0,0]=4 6066 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [1,1,0,0,0,0|2,0,0]=4 6067 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [1,1,0,0,0,0|2,0,0]=4 6068 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 6069 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 6070 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 6071 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [1,1,0,0,0,0|2,0,0]=4 6072 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [1,1,0,0,0,0|2,0,0]=4 6073 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [1,1,0,0,0,0|2,0,0]=4 6074 B9R0.18 C#CCCC(=O)CCCC 1458a_100000210183_100000753159 [1,1,0,0,0,0|1,0,1]=4 6075 B9R0.18 C#CCCC(=O)CCCC 1458a_100000692101_100000210211 [1,1,0,0,0,0|1,0,1]=4 6076 B9R0.18 C#CCCC(=O)COCC 1458a_100000211967_100000753159 [1,1,0,0,0,0|0,0,2]=4 6077 B9R0.18 C#CCNC(=O)CCCC 11a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 6078 B9R0.18 C#CCNC(=O)CCCC 1626a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 6079 B9R0.18 C#CCNC(=O)CCCC 240690a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 6080 B9R0.18 C#CCNC(=O)CCCC 527a_100000212058_100000210183 [1,1,0,0,0,0|1,0,1]=4 6081 B9R0.18 C/C=C/CC(=O)CCCC 1458a_100000210183_100102629194 [1,1,0,0,0,0|1,0,1]=4 6082 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 6083 B9R0.18 C=C(COCC)OCOC 34a_100121572206_100000042856 [1,1,0,0,0,0|2,0,0]=4 6084 B9R0.18 C=C(CSCC)OCOC 62a_100000042856_100000210202 [1,1,0,0,0,0|2,0,0]=4 6085 B9R0.18 C=C(CSCC)OCOC 62a_100000210202_100000042856 [1,1,0,0,0,0|2,0,0]=4 6086 B9R0.18 C=CCCC(=O)CCCC 1458a_100000210183_100000754431 [1,1,0,0,0,0|1,0,1]=4 6087 B9R0.18 C=CCCC(=O)CCCC 1458a_100000749702_100000210211 [1,1,0,0,0,0|1,0,1]=4 6088 B9R0.18 C=CCCC(=O)COCC 1458a_100000211967_100000754431 [1,1,0,0,0,0|0,0,2]=4 6089 B9R0.18 C=CCNC(=O)CCCC 1626a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 6090 B9R0.18 C=CCNC(=O)CCCC 240690a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 6091 B9R0.18 C=CCNC(=O)CCCC 527a_100020586998_100000210183 [1,1,0,0,0,0|1,0,1]=4 6092 B9R0.18 C=CCOC(=O)CNCC 2230a_100015525214_100000033060 [1,1,0,0,0,0|1,0,1]=4 6093 B9R0.18 C=CCOC(=O)COCC 34a_100121572206_100000033060 [1,1,0,0,0,0|1,0,1]=4 6094 B9R0.18 C=CCOC(=O)CSCC 62a_100000033060_100000210202 [1,1,0,0,0,0|1,0,1]=4 6095 B9R0.18 C=CCOC(=O)CSCC 62a_100000210202_100000033060 [1,1,0,0,0,0|1,0,1]=4 6096 B9R0.18 CC#CCC(=O)CCCC 1458a_100000210183_100000748600 [1,1,0,0,0,0|1,0,1]=4 6097 B9R0.18 CC#CCC(=O)COCC 1458a_100000211967_100000748600 [1,1,0,0,0,0|0,0,2]=4 6098 B9R0.18 CC=CCC(=O)CCCC 1458a_100000210183_100000070051 [1,1,0,0,0,0|1,0,1]=4 6099 B9R0.18 CC=CCC(=O)CCCC 1458a_100121576822_100000210211 [1,1,0,0,0,0|1,0,1]=4 6100 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 6101 B9R0.18 CC=NNC(=O)CCCC 4a_100000189769_200000210099 [1,1,0,0,0,0|1,0,1]=4 6102 B9R0.18 CCC#CC(=O)CCCC 1458a_100011827653_100000210211 [1,1,0,0,0,0|1,0,0]=3 6103 B9R0.18 CCC#CC(=O)CCCF 1458a_100011827653_100011934791 [1,1,0,0,0,0|2,0,0]=4 6104 B9R0.18 CCC#CC(=O)CCCO 1458a_100011827653_100011215043 [1,1,0,0,0,0|2,0,0]=4 6105 B9R0.18 CCC#CC(=O)CCOC 1458a_100011827653_100000233755 [1,1,0,0,0,0|2,0,0]=4 6106 B9R0.18 CCC#CC(=O)CCSC 1458a_100011827653_100000751147 [1,1,0,0,0,0|2,0,0]=4 6107 B9R0.18 CCC=CC(=O)CCCC 1458a_100000212282_100000210211 [1,1,0,0,0,0|1,0,0]=3 6108 B9R0.18 CCC=CC(=O)CCCF 1458a_100000212282_100011934791 [1,1,0,0,0,0|2,0,0]=4 6109 B9R0.18 CCC=CC(=O)CCCO 1458a_100000212282_100011215043 [1,1,0,0,0,0|2,0,0]=4 6110 B9R0.18 CCC=CC(=O)CCOC 1458a_100000212282_100000233755 [1,1,0,0,0,0|2,0,0]=4 6111 B9R0.18 CCC=CC(=O)CCSC 1458a_100000212282_100000751147 [1,1,0,0,0,0|2,0,0]=4 6112 B9R0.18 CCC=CC(=O)NCCC 11a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 6113 B9R0.18 CCC=CC(=O)NCCC 1626a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 6114 B9R0.18 CCC=CC(=O)NCCC 240690a_100020643023_100000212282 [1,1,0,0,0,0|2,0,0]=4 6115 B9R0.18 CCCCC(=NNCC)C 4a_100000756455_100000210087 [1,1,0,0,0,0|2,0,0]=4 6116 B9R0.18 CCCCC(=O)C#CCO 1458a_100000049017_100000210211 [1,1,0,0,0,0|1,0,1]=4 6117 B9R0.18 CCCCC(=O)C=COC 1458a_100016268678_100000210211 [1,1,0,0,0,0|1,0,1]=4 6118 B9R0.18 CCCCC(=O)CCC#N 1458a_100000210183_100011215226 [1,1,0,0,0,0|1,0,1]=4 6119 B9R0.18 CCCCC(=O)CCC#N 1458a_100011934036_100000210211 [1,1,0,0,0,0|1,0,1]=4 6120 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [1,1,0,0,0,0|1,0,0]=3 6121 B9R0.18 CCCCC(=O)CCCF 1458a_100000210183_100011934791 [1,1,0,0,0,0|1,0,0]=3 6122 B9R0.18 CCCCC(=O)CCCO 1458a_100000210183_100011215043 [1,1,0,0,0,0|1,0,0]=3 6123 B9R0.18 CCCCC(=O)CCOC 1458a_100000210183_100000233755 [1,1,0,0,0,0|1,0,0]=3 6124 B9R0.18 CCCCC(=O)CCOC 1458a_100000749529_100000210211 [1,1,0,0,0,0|1,0,0]=3 6125 B9R0.18 CCCCC(=O)CCSC 1458a_100000174002_100000210211 [1,1,0,0,0,0|1,0,0]=3 6126 B9R0.18 CCCCC(=O)CCSC 1458a_100000210183_100000751147 [1,1,0,0,0,0|1,0,0]=3 6127 B9R0.18 CCCCC(=O)COCC 1458a_100000211967_100000210211 [1,1,0,0,0,0|0,0,0]=2 6128 B9R0.18 CCCCC(=O)CSCC 1458a_100000230394_100000210211 [1,1,0,0,0,0|0,1,0]=3 6129 B9R0.18 CCCCC(=O)NCC#N 1626a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 6130 B9R0.18 CCCCC(=O)NCC#N 527a_100000734998_100000210183 [1,1,0,0,0,0|1,0,1]=4 6131 B9R0.18 CCCCC(=O)NCCC 11a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 6132 B9R0.18 CCCCC(=O)NCCC 1626a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 6133 B9R0.18 CCCCC(=O)NCCC 240690a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 6134 B9R0.18 CCCCC(=O)NCCC 527a_100020643023_100000210183 [1,1,0,0,0,0|1,0,0]=3 6135 B9R0.18 CCCCC(=O)NCCF 11a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 6136 B9R0.18 CCCCC(=O)NCCF 1626a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 6137 B9R0.18 CCCCC(=O)NCCF 240690a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 6138 B9R0.18 CCCCC(=O)NCCF 527a_100000724931_100000210183 [1,1,0,0,0,0|1,0,0]=3 6139 B9R0.18 CCCCC(=O)NCCO 240690a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 6140 B9R0.18 CCCCC(=O)NCCO 527a_100000210304_100000210183 [1,1,0,0,0,0|1,0,0]=3 6141 B9R0.18 CCCCC(=O)NNCC 22a_100000756455_100000210183 [1,1,0,0,0,0|1,0,0]=3 6142 B9R0.18 CCCCC(C)COCC 34a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 6143 B9R0.18 CCCCC(C)COCC 7a_100011995851_100000210202 [1,1,0,0,0,0|1,0,1]=4 6144 B9R0.18 CCCCC(C)OCCBr 34a_100000211926_200011215066 [1,1,0,0,0,0|1,0,1]=4 6145 B9R0.18 CCCCC(C)OCCC 34a_100000210258_200011215066 [1,1,0,0,0,0|1,0,1]=4 6146 B9R0.18 CCCCC(C)OCCC 34a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 6147 B9R0.18 CCCCC(C)OCCC 7a_100000687866_100000210303 [1,1,0,0,0,0|1,0,1]=4 6148 B9R0.18 CCCCC(C)OCCF 34a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 6149 B9R0.18 CCCCC(C)OCCF 7a_100000687866_100011217306 [1,1,0,0,0,0|1,0,1]=4 6150 B9R0.18 CCCCC(C)OCCN 34a_100000210304_200011215066 [1,1,0,0,0,0|1,0,1]=4 6151 B9R0.18 CCCCC(C)OCCO 34a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 6152 B9R0.18 CCCCC(C)OCCO 7a_100000687866_100000211926 [1,1,0,0,0,0|1,0,1]=4 6153 B9R0.18 CCCCC(C)OCSC 34a_100000687866_100011218213 [1,1,0,0,0,0|1,0,1]=4 6154 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [1,1,0,0,0,0|2,0,0]=4 6155 B9R0.18 CCCC[C@H](N)COCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 6156 B9R0.18 CCCNC(=O)CCOC 11a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 6157 B9R0.18 CCCNC(=O)CCOC 1626a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 6158 B9R0.18 CCCNC(=O)CCOC 240690a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 6159 B9R0.18 CCCNC(=O)CCOC 527a_100020643023_100000749529 [1,1,0,0,0,0|2,0,0]=4 6160 B9R0.18 CCCNC(=O)CCSC 11a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 6161 B9R0.18 CCCNC(=O)CCSC 1626a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 6162 B9R0.18 CCCNC(=O)CCSC 240690a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 6163 B9R0.18 CCCNC(=O)CCSC 527a_100020643023_100000174002 [1,1,0,0,0,0|2,0,0]=4 6164 B9R0.18 CCCNC(=O)CNCC 2230a_100000174927_100000210202 [1,1,0,0,0,0|2,0,0]=4 6165 B9R0.18 CCCNC(=O)CNCC 2230a_100015525214_100000183358 [1,1,0,0,0,0|2,0,0]=4 6166 B9R0.18 CCCNC(=O)COCC 11a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 6167 B9R0.18 CCCNC(=O)COCC 1626a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 6168 B9R0.18 CCCNC(=O)COCC 240690a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 6169 B9R0.18 CCCNC(=O)COCC 34a_100121572206_100000183358 [1,1,0,0,0,0|1,0,0]=3 6170 B9R0.18 CCCNC(=O)COCC 527a_100020643023_100000211967 [1,1,0,0,0,0|1,0,0]=3 6171 B9R0.18 CCCNC(=O)CSCC 11a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 6172 B9R0.18 CCCNC(=O)CSCC 1626a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 6173 B9R0.18 CCCNC(=O)CSCC 240690a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 6174 B9R0.18 CCCNC(=O)CSCC 527a_100020643023_100000230394 [1,1,0,0,0,0|1,1,0]=4 6175 B9R0.18 CCCNC(=O)CSCC 62a_100000183358_100000210202 [1,1,0,0,0,0|1,1,0]=4 6176 B9R0.18 CCCNC(=O)CSCC 62a_100000210202_100000183358 [1,1,0,0,0,0|1,1,0]=4 6177 B9R0.18 CCCNC(=O)NCCC 2708a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 6178 B9R0.18 CCCNC(=O)NCCC 273464a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 6179 B9R0.18 CCCNC(=O)NCCC 512a_100020643023_100020643023 [1,1,0,0,0,0|2,0,0]=4 6180 B9R0.18 CCCNC(=O)NCCF 2708a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 6181 B9R0.18 CCCNC(=O)NCCF 273464a_100000724931_100020643023 [1,1,0,0,0,0|2,0,0]=4 6182 B9R0.18 CCCNC(=O)NCCF 273464a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 6183 B9R0.18 CCCNC(=O)NCCF 512a_100020643023_100000724931 [1,1,0,0,0,0|2,0,0]=4 6184 B9R0.18 CCCNC(=O)NCCO 2708a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 6185 B9R0.18 CCCNC(=O)NCCO 273464a_100000210304_100020643023 [1,1,0,0,0,0|2,0,0]=4 6186 B9R0.18 CCCNC(=O)NCCO 273464a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 6187 B9R0.18 CCCNC(=O)NCCO 512a_100020643023_100000210304 [1,1,0,0,0,0|2,0,0]=4 6188 B9R0.18 CCCNC(=O)NNCC 273464a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 6189 B9R0.18 CCCNC(=O)NNCC 512a_100000756455_100020643023 [1,1,0,0,0,0|2,0,0]=4 6190 B9R0.18 CCCNC(=O)NNCC 512a_100020643023_100000756455 [1,1,0,0,0,0|2,0,0]=4 6191 B9R0.18 CCCOC(=O)CNCC 2230a_100015525214_200011215008 [1,1,0,0,0,0|1,0,0]=3 6192 B9R0.18 CCCOC(=O)COCC 34a_100121572206_200011215008 [1,1,0,0,0,0|1,0,0]=3 6193 B9R0.18 CCCOC(=O)CSCC 62a_100000210202_200011215008 [1,1,0,0,0,0|1,0,0]=3 6194 B9R0.18 CCCOC(=O)CSCC 62a_200011215008_100000210202 [1,1,0,0,0,0|1,0,0]=3 6195 B9R0.18 CCCOC(=O)CSCF 62a_100015361967_200011215008 [1,1,0,0,0,0|2,0,0]=4 6196 B9R0.18 CCCOC(=O)CSCF 62a_200011215008_100015361967 [1,1,0,0,0,0|2,0,0]=4 6197 B9R0.18 CCCOC(=O)OCNC 34a_100102657272_200000139673 [1,1,0,0,0,0|1,0,0]=3 6198 B9R0.18 CCCOC(=O)OCNC 7a_106832991635_200000139673 [1,1,0,0,0,0|1,0,0]=3 6199 B9R0.18 CCCOC(=O)OCOC 34a_100138415774_200000139673 [1,1,0,0,0,0|1,0,0]=3 6200 B9R0.18 CCCOC(=O)OCSC 62a_200000210301_200000139673 [1,1,0,0,0,0|1,0,0]=3 6201 B9R0.18 CCCOC(=O)OCS[13CH3] 62a_200025704644_200000139673 [1,1,0,0,0,0|1,0,0]=3 6202 B9R0.18 CCNCC(=O)NCCF 2230a_100000725713_100000210202 [1,1,0,0,0,0|2,0,0]=4 6203 B9R0.18 CCNNC(=O)CCOC 22a_100000756455_100000749529 [1,1,0,0,0,0|2,0,0]=4 6204 B9R0.18 CCNNC(=O)CCSC 22a_100000756455_100000174002 [1,1,0,0,0,0|2,0,0]=4 6205 B9R0.18 CCNNC(=O)COCC 22a_100000756455_100000211967 [1,1,0,0,0,0|2,0,0]=4 6206 B9R0.18 CCNNC(=O)CSCC 22a_100000756455_100000230394 [1,1,0,0,0,0|2,0,0]=4 6207 B9R0.18 CCOCC(=O)CCC#N 1458a_100000211967_100011215226 [1,1,0,0,0,0|1,0,1]=4 6208 B9R0.18 CCOCC(=O)CCCF 1458a_100000211967_100011934791 [1,1,0,0,0,0|1,0,0]=3 6209 B9R0.18 CCOCC(=O)CCCO 1458a_100000211967_100011215043 [1,1,0,0,0,0|1,0,0]=3 6210 B9R0.18 CCOCC(=O)CCOC 1458a_100000211967_100000233755 [1,1,0,0,0,0|1,0,0]=3 6211 B9R0.18 CCOCC(=O)CCSC 1458a_100000211967_100000751147 [1,1,0,0,0,0|1,0,0]=3 6212 B9R0.18 CCOCC(=O)NCCF 11a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 6213 B9R0.18 CCOCC(=O)NCCF 1626a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 6214 B9R0.18 CCOCC(=O)NCCF 240690a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 6215 B9R0.18 CCOCC(=O)NCCF 527a_100000724931_100000211967 [1,1,0,0,0,0|2,0,0]=4 6216 B9R0.18 CCOCC(=O)NCCO 240690a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 6217 B9R0.18 CCOCC(=O)NCCO 527a_100000210304_100000211967 [1,1,0,0,0,0|2,0,0]=4 6218 B9R0.18 CCSCC(=O)CCCF 1458a_100000230394_100011934791 [1,1,0,0,0,0|1,1,0]=4 6219 B9R0.18 CCSCC(=O)CCCO 1458a_100000230394_100011215043 [1,1,0,0,0,0|1,1,0]=4 6220 B9R0.18 CCSCC(=O)CCOC 1458a_100000230394_100000233755 [1,1,0,0,0,0|1,1,0]=4 6221 B9R0.18 CCSCC(=O)CCSC 1458a_100000230394_100000751147 [1,1,0,0,0,0|1,1,0]=4 6222 B9R0.18 CCSCC(=O)NCCF 11a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 6223 B9R0.18 CCSCC(=O)NCCF 1626a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 6224 B9R0.18 CCSCC(=O)NCCF 240690a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 6225 B9R0.18 CCSCC(=O)NCCF 527a_100000724931_100000230394 [1,1,0,0,0,0|2,0,0]=4 6226 B9R0.18 CCSCC(=O)NCCO 240690a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 6227 B9R0.18 CCSCC(=O)NCCO 527a_100000210304_100000230394 [1,1,0,0,0,0|2,0,0]=4 6228 B9R0.18 COCCC(=O)CCCF 1458a_100000749529_100011934791 [1,1,0,0,0,0|2,0,0]=4 6229 B9R0.18 COCCC(=O)CCCO 1458a_100000749529_100011215043 [1,1,0,0,0,0|2,0,0]=4 6230 B9R0.18 COCCC(=O)CCOC 1458a_100000749529_100000233755 [1,1,0,0,0,0|2,0,0]=4 6231 B9R0.18 COCCC(=O)CCSC 1458a_100000174002_100000233755 [1,1,0,0,0,0|2,0,0]=4 6232 B9R0.18 COCCC(=O)CCSC 1458a_100000749529_100000751147 [1,1,0,0,0,0|2,0,0]=4 6233 B9R0.18 COCCC(=O)NCCF 11a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 6234 B9R0.18 COCCC(=O)NCCF 1626a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 6235 B9R0.18 COCCC(=O)NCCF 240690a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 6236 B9R0.18 COCCC(=O)NCCF 527a_100000724931_100000749529 [1,1,0,0,0,0|2,0,0]=4 6237 B9R0.18 COCCC(=O)NCCO 240690a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 6238 B9R0.18 COCCC(=O)NCCO 527a_100000210304_100000749529 [1,1,0,0,0,0|2,0,0]=4 6239 B9R0.18 CSCCC(=O)CCCF 1458a_100000174002_100011934791 [1,1,0,0,0,0|2,0,0]=4 6240 B9R0.18 CSCCC(=O)CCCO 1458a_100000174002_100011215043 [1,1,0,0,0,0|2,0,0]=4 6241 B9R0.18 CSCCC(=O)CCSC 1458a_100000174002_100000751147 [1,1,0,0,0,0|2,0,0]=4 6242 B9R0.18 CSCCC(=O)NCCF 11a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 6243 B9R0.18 CSCCC(=O)NCCF 1626a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 6244 B9R0.18 CSCCC(=O)NCCF 240690a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 6245 B9R0.18 CSCCC(=O)NCCF 527a_100000724931_100000174002 [1,1,0,0,0,0|2,0,0]=4 6246 B9R0.18 CSCCC(=O)NCCO 240690a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 6247 B9R0.18 CSCCC(=O)NCCO 527a_100000210304_100000174002 [1,1,0,0,0,0|2,0,0]=4 6248 B9R0.34 CC#CC(=O)CC(C)CC 1458a_100000763181_100000748023 [1,1,0,0,0,0|1,0,1]=4 6249 B9R0.34 CC#CC(=O)CC(O)CC 1458a_100000763181_100011218378 [1,1,0,0,0,0|1,0,1]=4 6250 B9R0.34 CC#CC(=O)C[C@@H](C)CC 1458a_100000763181_100009816398 [1,1,0,0,0,0|1,0,1]=4 6251 B9R0.34 CC=CC(=O)CC(C)CC 1458a_100000210699_100000748023 [1,1,0,0,0,0|1,0,1]=4 6252 B9R0.34 CC=CC(=O)CC(O)CC 1458a_100000210699_100011218378 [1,1,0,0,0,0|1,0,1]=4 6253 B9R0.34 CC=CC(=O)C[C@@H](C)CC 1458a_100000210699_100009816398 [1,1,0,0,0,0|1,0,1]=4 6254 B9R0.34 CCC(C)CC(=O)CCF 1458a_100000708755_100011217306 [1,1,0,0,0,0|2,0,0]=4 6255 B9R0.34 CCC(C)CC(=O)CCO 1458a_100000708755_100000211926 [1,1,0,0,0,0|2,0,0]=4 6256 B9R0.34 CCC(C)CC(=O)CCO 1458a_100011216618_100000748023 [1,1,0,0,0,0|2,0,0]=4 6257 B9R0.34 CCC(C)CC(=O)COC 1458a_100000210968_100000748023 [1,1,0,0,0,0|2,0,0]=4 6258 B9R0.34 CCC(C)CC(=O)CSC 1458a_100000184570_100000748023 [1,1,0,0,0,0|2,0,0]=4 6259 B9R0.34 CCC(C)CC(=O)NNC 22a_100016993582_100000708755 [1,1,0,0,0,0|2,0,0]=4 6260 B9R0.34 CCC(O)CC(=O)CCF 1458a_100011667805_100011217306 [1,1,0,0,0,0|2,0,0]=4 6261 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011216618_100011218378 [1,1,0,0,0,0|2,0,0]=4 6262 B9R0.34 CCC(O)CC(=O)CCO 1458a_100011667805_100000211926 [1,1,0,0,0,0|2,0,0]=4 6263 B9R0.34 CCC(O)CC(=O)COC 1458a_100000210968_100011218378 [1,1,0,0,0,0|2,0,0]=4 6264 B9R0.34 CCC(O)CC(=O)CSC 1458a_100000184570_100011218378 [1,1,0,0,0,0|2,0,0]=4 6265 B9R0.34 CCC(O)CC(=O)NNC 22a_100016993582_100011667805 [1,1,0,0,0,0|2,0,0]=4 6266 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000210414_100000747444 [1,1,0,0,0,0|1,0,1]=4 6267 B9R0.34 CCCC(=O)CC(=O)CC 1458a_100000211992_100000747405 [1,1,0,0,0,0|1,0,1]=4 6268 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000211992_100000748023 [1,1,0,0,0,0|1,0,0]=3 6269 B9R0.34 CCCC(=O)CC(C)CC 1458a_100000708755_100000210303 [1,1,0,0,0,0|1,0,0]=3 6270 B9R0.34 CCCC(=O)CC(O)CC 1458a_100000211992_100011218378 [1,1,0,0,0,0|1,0,0]=3 6271 B9R0.34 CCCC(=O)CC(O)CC 1458a_100011667805_100000210303 [1,1,0,0,0,0|1,0,0]=3 6272 B9R0.34 CCCC(=O)CN(C)CC 1458a_100116209913_100000210303 [1,1,0,0,0,0|2,0,0]=4 6273 B9R0.34 CCCC(=O)CN(C)CC 2230a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 6274 B9R0.34 CCCC(=O)CN(C)CC 269982a_100000225621_100000747444 [1,1,0,0,0,0|2,0,0]=4 6275 B9R0.34 CCCC(=O)C[C@@H](C)CC 1458a_100000211992_100009816398 [1,1,0,0,0,0|1,0,0]=3 6276 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [1,1,0,0,0,0|2,0,0]=4 6277 B9R0.34 CCCC(=O)NC(C)CC 11a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 6278 B9R0.34 CCCC(=O)NC(C)CC 1626a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 6279 B9R0.34 CCCC(=O)NC(C)CC 240690a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 6280 B9R0.34 CCCC(=O)NC(C)CC 527a_100000209981_100000211992 [1,1,0,0,0,0|2,0,0]=4 6281 B9R0.34 CCNC(=O)CC(=O)CC 1458a_100000210414_100000183381 [1,1,0,0,0,0|1,0,1]=4 6282 B9R0.34 CCNC(=O)CC(C)CC 11a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 6283 B9R0.34 CCNC(=O)CC(C)CC 240690a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 6284 B9R0.34 CCNC(=O)CC(C)CC 527a_100015525214_100000708755 [1,1,0,0,0,0|1,0,0]=3 6285 B9R0.34 CCNC(=O)CC(O)CC 240690a_100015525214_100011667805 [1,1,0,0,0,0|1,0,0]=3 6286 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 6287 B9R0.34 CCNC(=O)CN(C)CC 2230a_100000741943_100000210202 [1,1,0,0,0,0|2,0,0]=4 6288 B9R0.34 CCNC(=O)CN(C)CC 240690a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 6289 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000225621_100000183381 [1,1,0,0,0,0|2,0,0]=4 6290 B9R0.34 CCNC(=O)CN(C)CC 269982a_100000741943_100000204670 [1,1,0,0,0,0|2,0,0]=4 6291 B9R0.34 CCNC(=O)CN(C)CC 527a_100015525214_100116209913 [1,1,0,0,0,0|2,0,0]=4 6292 B9R0.34 CCNC(=O)NC(C)CC 2708a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 6293 B9R0.34 CCNC(=O)NC(C)CC 2708a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 6294 B9R0.34 CCNC(=O)NC(C)CC 273464a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 6295 B9R0.34 CCNC(=O)NC(C)CC 273464a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 6296 B9R0.34 CCNC(=O)NC(C)CC 512a_100000209981_100015525214 [1,1,0,0,0,0|2,0,0]=4 6297 B9R0.34 CCNC(=O)NC(C)CC 512a_100015525214_100000209981 [1,1,0,0,0,0|2,0,0]=4 6298 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000210414_100000188475 [1,1,0,0,0,0|0,0,1]=3 6299 B9R0.34 CCOC(=O)CC(=O)CC 1458a_100000243816_100000210202 [1,1,0,0,0,0|0,0,1]=3 6300 B9R0.34 CCOC(=O)CC(=O)CF 1458a_100000243816_100015361967 [1,1,0,0,0,0|1,0,1]=4 6301 B9R0.34 CCOC(=O)CC(=O)CO 1458a_100000210174_100000188475 [1,1,0,0,0,0|1,0,1]=4 6302 B9R0.34 CCOC(=O)CC(=O)NC 240690a_100102657272_100000243816 [1,1,0,0,0,0|1,0,1]=4 6303 B9R0.34 CCOC(=O)CC(C)NC 2230a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 6304 B9R0.34 CCOC(=O)CC(C)NC 7a_106832991635_100009817359 [1,1,0,0,0,0|1,0,0]=3 6305 B9R0.34 CCOC(=O)CC(C)SC 62a_100009817359_200000210301 [1,1,0,0,0,0|1,0,0]=3 6306 B9R0.34 CCOC(=O)CC(C)SC 62a_200000210301_100009817359 [1,1,0,0,0,0|1,0,0]=3 6307 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_100009817359_200025704644 [1,1,0,0,0,0|1,0,0]=3 6308 B9R0.34 CCOC(=O)CC(C)S[13CH3] 62a_200025704644_100009817359 [1,1,0,0,0,0|1,0,0]=3 6309 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220588_100000210202 [1,1,0,0,0,0|1,0,0]=3 6310 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 6311 B9R0.34 CCOC(=O)CN(C)CC 2230a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 6312 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000220607_200000210301 [1,1,0,0,0,0|1,0,0]=3 6313 B9R0.34 CCOC(=O)CN(C)CC 269982a_100000225621_100000188475 [1,1,0,0,0,0|1,0,0]=3 6314 B9R0.34 CCOC(=O)CN([13CH3])CC 2230a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 6315 B9R0.34 CCOC(=O)CN([13CH3])CC 269982a_100000220607_200025704644 [1,1,0,0,0,0|1,0,0]=3 6316 B9R0.34 CCOC(=O)C[C@@H](C)OC 7a_100009816390_200000210301 [1,1,0,0,0,0|1,0,0]=3 6317 B9R0.34 CCOC(=O)C[C@@H](C)O[13CH3] 7a_100009816390_200025704644 [1,1,0,0,0,0|1,0,0]=3 6318 B9R0.34 CCOC(=O)OC(C)SC 62a_100000036008_200000210301 [1,1,0,0,0,0|2,0,0]=4 6319 B9R0.34 CCOC(=O)OC(C)SC 62a_200000210301_100000036008 [1,1,0,0,0,0|2,0,0]=4 6320 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_100000036008_200025704644 [1,1,0,0,0,0|2,0,0]=4 6321 B9R0.34 CCOC(=O)OC(C)S[13CH3] 62a_200025704644_100000036008 [1,1,0,0,0,0|2,0,0]=4 6322 B9R0.34 CC[C@H](C)CC(=O)CCO 1458a_100011216618_100009816398 [1,1,0,0,0,0|2,0,0]=4 6323 B9R0.34 CC[C@H](C)CC(=O)COC 1458a_100000210968_100009816398 [1,1,0,0,0,0|2,0,0]=4 6324 B9R0.34 CC[C@H](C)CC(=O)CSC 1458a_100000184570_100009816398 [1,1,0,0,0,0|2,0,0]=4 6325 B9R0.35 C=C(CNC)C(=O)OCC 34a_100102657272_100000755967 [1,1,0,0,0,0|1,0,1]=4 6326 B9R0.35 C=C(CNC)C(=O)OCC 7a_106832991635_100000755967 [1,1,0,0,0,0|1,0,1]=4 6327 B9R0.35 C=C(COC)C(=O)OCC 34a_100138415774_100000755967 [1,1,0,0,0,0|1,0,1]=4 6328 B9R0.35 C=C(CSC)C(=O)OCC 62a_100000755967_200000210301 [1,1,0,0,0,0|1,0,1]=4 6329 B9R0.35 C=C(CSC)C(=O)OCC 62a_200000210301_100000755967 [1,1,0,0,0,0|1,0,1]=4 6330 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_100000755967_200025704644 [1,1,0,0,0,0|1,0,1]=4 6331 B9R0.35 C=C(CS[13CH3])C(=O)OCC 62a_200025704644_100000755967 [1,1,0,0,0,0|1,0,1]=4 6332 B9R0.35 CC#CC(=O)C(C)CCC 1458a_100000763181_100000766640 [1,1,0,0,0,0|1,0,1]=4 6333 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [1,1,0,0,0,0|1,0,1]=4 6334 B9R0.35 CCCC(=O)C(=O)NCC 1458a_200011297158_100000210303 [1,1,0,0,0,0|1,0,1]=4 6335 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000210906_100000210303 [1,1,0,0,0,0|1,0,0]=3 6336 B9R0.35 CCCC(=O)C(C)CCC 1458a_100000211992_100000766640 [1,1,0,0,0,0|1,0,0]=3 6337 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [1,1,0,0,0,0|2,0,0]=4 6338 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [1,1,0,0,0,0|2,0,0]=4 6339 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [1,1,0,0,0,0|2,0,0]=4 6340 B9R0.35 CCCC(=O)C(C)CSC 1458a_100000753918_100000210303 [1,1,0,0,0,0|2,0,0]=4 6341 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [1,1,0,0,0,0|2,0,0]=4 6342 B9R0.35 CCCC(=O)C(C)SCC 1458a_100000230601_100000210303 [1,1,0,0,0,0|2,0,0]=4 6343 B9R0.35 CCCC(=O)N(C)CCC 11a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 6344 B9R0.35 CCCC(=O)N(C)CCC 1626a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 6345 B9R0.35 CCCC(=O)N(C)CCC 240690a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 6346 B9R0.35 CCCC(=O)N(C)CCC 527a_100000747261_100000211992 [1,1,0,0,0,0|2,0,0]=4 6347 B9R0.35 CCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210303 [1,1,0,0,0,0|1,0,0]=3 6348 B9R0.35 CCCC(C)C(=O)CCF 1458a_100000210906_100011217306 [1,1,0,0,0,0|2,0,0]=4 6349 B9R0.35 CCCC(C)C(=O)CCO 1458a_100000210906_100000211926 [1,1,0,0,0,0|2,0,0]=4 6350 B9R0.35 CCCC(C)C(=O)CCO 1458a_100011216618_100000766640 [1,1,0,0,0,0|2,0,0]=4 6351 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [1,1,0,0,0,0|2,0,0]=4 6352 B9R0.35 CCCC(C)C(=O)CSC 1458a_100000184570_100000766640 [1,1,0,0,0,0|2,0,0]=4 6353 B9R0.35 CCCC(C)C(=O)NCC 11a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 6354 B9R0.35 CCCC(C)C(=O)NCC 240690a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 6355 B9R0.35 CCCC(C)C(=O)NCC 527a_100015525214_100000210906 [1,1,0,0,0,0|1,0,0]=3 6356 B9R0.35 CCCC(C)C(=O)NNC 22a_100016993582_100000210906 [1,1,0,0,0,0|2,0,0]=4 6357 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 6358 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [1,1,0,0,0,0|1,0,1]=4 6359 B9R0.35 CCCN(C)C(=O)NCC 2708a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 6360 B9R0.35 CCCN(C)C(=O)NCC 273464a_100015525214_100000747261 [1,1,0,0,0,0|2,0,0]=4 6361 B9R0.35 CCC[C@H](O)C(=O)CCF 1458a_100009822183_100011217306 [1,1,0,0,0,0|2,0,0]=4 6362 B9R0.35 CCC[C@H](O)C(=O)CCO 1458a_100009822183_100000211926 [1,1,0,0,0,0|2,0,0]=4 6363 B9R0.35 CCC[C@H](O)C(=O)NCC 240690a_100015525214_100009822183 [1,1,0,0,0,0|1,0,0]=3 6364 B9R0.35 CCC[C@H](O)C(=O)NNC 22a_100016993582_100009822183 [1,1,0,0,0,0|2,0,0]=4 6365 B9R0.35 CCNC(=O)C(=O)OCC 11a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 6366 B9R0.35 CCNC(=O)C(=O)OCC 240690a_100015525214_100014798877 [1,1,0,0,0,0|1,0,1]=4 6367 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 6368 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 6369 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [1,1,0,0,0,0|2,0,0]=4 6370 B9R0.35 CCNC(=O)C(C)CSC 11a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 6371 B9R0.35 CCNC(=O)C(C)CSC 240690a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 6372 B9R0.35 CCNC(=O)C(C)CSC 527a_100015525214_100000753918 [1,1,0,0,0,0|2,0,0]=4 6373 B9R0.35 CCNC(=O)C(C)NCC 2230a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 6374 B9R0.35 CCNC(=O)C(C)NCC 2230a_100015525214_100000230173 [1,1,0,0,0,0|2,0,0]=4 6375 B9R0.35 CCNC(=O)C(C)NCC 34a_100000736553_100000210202 [1,1,0,0,0,0|2,0,0]=4 6376 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 6377 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 6378 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [1,1,0,0,0,0|2,0,0]=4 6379 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [1,1,0,0,0,0|2,0,0]=4 6380 B9R0.35 CCNC(=O)C(C)SCC 11a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 6381 B9R0.35 CCNC(=O)C(C)SCC 240690a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 6382 B9R0.35 CCNC(=O)C(C)SCC 527a_100015525214_100000230601 [1,1,0,0,0,0|2,0,0]=4 6383 B9R0.35 CCNC(=O)C(C)SCC 62a_100000210202_100000230173 [1,1,0,0,0,0|2,0,0]=4 6384 B9R0.35 CCNC(=O)C(C)SCC 62a_100000230173_100000210202 [1,1,0,0,0,0|2,0,0]=4 6385 B9R0.35 CCNC(C)C(=O)OCC 2230a_100015525214_100011215307 [1,1,0,0,0,0|1,0,0]=3 6386 B9R0.35 CCNC(F)C(=O)OCC 2230a_100015525214_100000760018 [1,1,0,0,0,0|1,0,0]=3 6387 B9R0.35 CCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210202 [1,1,0,0,0,0|1,1,0]=4 6388 B9R0.35 CCOC(=O)C(=O)CSC 62a_100000211299_200000210301 [1,1,0,0,0,0|1,0,1]=4 6389 B9R0.35 CCOC(=O)C(=O)CSC 62a_200000210301_100000211299 [1,1,0,0,0,0|1,0,1]=4 6390 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_100000211299_200025704644 [1,1,0,0,0,0|1,0,1]=4 6391 B9R0.35 CCOC(=O)C(=O)CS[13CH3] 62a_200025704644_100000211299 [1,1,0,0,0,0|1,0,1]=4 6392 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [1,1,0,0,0,0|1,0,0]=3 6393 B9R0.35 CCOC(=O)C(C)SCC 62a_100000210202_100011216346 [1,1,0,0,0,0|1,0,0]=3 6394 B9R0.35 CCOC(=O)C(C)SCC 62a_100011216346_100000210202 [1,1,0,0,0,0|1,0,0]=3 6395 B9R0.35 CCOC(=O)C(C)SCF 62a_100011216346_100015361967 [1,1,0,0,0,0|2,0,0]=4 6396 B9R0.35 CCOC(=O)C(C)SCF 62a_100015361967_100011216346 [1,1,0,0,0,0|2,0,0]=4 6397 B9R0.35 CCOC(=O)C(F)OCC 34a_100121572206_100000760018 [1,1,0,0,0,0|1,0,0]=3 6398 B9R0.35 CCOC(=O)C(F)SCC 62a_100000210202_100000760018 [1,1,0,0,0,0|1,0,0]=3 6399 B9R0.35 CCOC(=O)C(F)SCC 62a_100000760018_100000210202 [1,1,0,0,0,0|1,0,0]=3 6400 B9R0.35 CCOC(=O)C(F)SCF 62a_100000760018_100015361967 [1,1,0,0,0,0|2,0,0]=4 6401 B9R0.35 CCOC(=O)C(F)SCF 62a_100015361967_100000760018 [1,1,0,0,0,0|2,0,0]=4 6402 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [1,1,0,0,0,0|1,0,0]=3 6403 B9R0.35 CCOC(=O)[C@H](C)OCF 7a_100000751109_100015361967 [1,1,0,0,0,0|2,0,0]=4 6404 B9R0.40 C#CC(CCCC)OCC 34a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 6405 B9R0.40 C#CC(CCCC)OCC 7a_200011217967_100000210202 [1,1,0,0,0,0|1,0,1]=4 6406 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 6407 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,1,0,0,0,0|1,0,1]=4 6408 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 6409 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [1,1,0,0,0,0|1,0,1]=4 6410 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [1,1,0,0,0,0|1,0,1]=4 6411 B9R0.48 C=C(C)CCC(=O)CCC 1458a_100000211992_100000730704 [1,1,0,0,0,0|1,0,1]=4 6412 B9R0.48 C=C(C)CCC(=O)CCC 1458a_200000688413_100000210303 [1,1,0,0,0,0|1,0,1]=4 6413 B9R0.48 C=C(C)CCC(=O)NCC 11a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 6414 B9R0.48 C=C(C)CCC(=O)NCC 240690a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 6415 B9R0.48 C=C(C)CCC(=O)NCC 527a_100015525214_200000688413 [1,1,0,0,0,0|1,0,1]=4 6416 B9R0.48 CC#CC(=O)CCC(C)C 1458a_100000763181_100000210312 [1,1,0,0,0,0|1,0,1]=4 6417 B9R0.48 CC#CC(=O)CCC(C)O 1458a_100000763181_100012276601 [1,1,0,0,0,0|1,0,1]=4 6418 B9R0.48 CC(C)CCC(=O)CCF 1458a_100000181311_100011217306 [1,1,0,0,0,0|2,0,0]=4 6419 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [1,1,0,0,0,0|2,0,0]=4 6420 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [1,1,0,0,0,0|2,0,0]=4 6421 B9R0.48 CC(O)CCC(=O)CCO 1458a_100011216618_100012276601 [1,1,0,0,0,0|2,0,0]=4 6422 B9R0.48 CC=CC(=O)CCC(C)C 1458a_100000210699_100000210312 [1,1,0,0,0,0|1,0,1]=4 6423 B9R0.48 CC=CC(=O)CCC(C)O 1458a_100000210699_100012276601 [1,1,0,0,0,0|1,0,1]=4 6424 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000181311_100000210303 [1,1,0,0,0,0|1,0,0]=3 6425 B9R0.48 CCCC(=O)CCC(C)C 1458a_100000211992_100000210312 [1,1,0,0,0,0|1,0,0]=3 6426 B9R0.48 CCCC(=O)CCC(C)O 1458a_100000211992_100012276601 [1,1,0,0,0,0|1,0,0]=3 6427 B9R0.48 CCCC(=O)CC[S+](C)C 1458a_100009452791_100000210303 [1,1,0,0,0,0|2,0,0]=4 6428 B9R0.48 CCCC(=O)CNC(C)C 2230a_100138425928_100000747444 [1,1,0,0,0,0|2,0,0]=4 6429 B9R0.48 CCCC(=O)COC(C)C 1458a_100000745533_100000210303 [1,1,0,0,0,0|2,0,0]=4 6430 B9R0.48 CCCC(=O)CSC(C)C 1458a_100000241585_100000210303 [1,1,0,0,0,0|2,0,0]=4 6431 B9R0.48 CCCC(=O)CSC(C)C 62a_100000210206_100000747444 [1,1,0,0,0,0|2,0,0]=4 6432 B9R0.48 CCCC(=O)CSC(C)C 62a_100000747444_100000210206 [1,1,0,0,0,0|2,0,0]=4 6433 B9R0.48 CCCC(=O)NCC(C)C 11a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 6434 B9R0.48 CCCC(=O)NCC(C)C 1626a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 6435 B9R0.48 CCCC(=O)NCC(C)C 240690a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 6436 B9R0.48 CCCC(=O)NCC(C)C 527a_100000210953_100000211992 [1,1,0,0,0,0|2,0,0]=4 6437 B9R0.48 CCCC(=O)NCC(C)O 11a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 6438 B9R0.48 CCCC(=O)NCC(C)O 240690a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 6439 B9R0.48 CCCC(=O)NCC(C)O 527a_100000210904_100000211992 [1,1,0,0,0,0|2,0,0]=4 6440 B9R0.48 CCNC(=O)CCC(=O)C 1458a_100000199579_200000210301 [1,1,0,0,0,0|1,0,1]=4 6441 B9R0.48 CCNC(=O)CCC(=O)[13CH3] 1458a_100000199579_200025704644 [1,1,0,0,0,0|1,0,1]=4 6442 B9R0.48 CCNC(=O)CCC(C)C 11a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 6443 B9R0.48 CCNC(=O)CCC(C)C 240690a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 6444 B9R0.48 CCNC(=O)CCC(C)C 527a_100015525214_100000181311 [1,1,0,0,0,0|1,0,0]=3 6445 B9R0.48 CCNC(=O)CCN(C)C 11a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 6446 B9R0.48 CCNC(=O)CCN(C)C 2230a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 6447 B9R0.48 CCNC(=O)CCN(C)C 240690a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 6448 B9R0.48 CCNC(=O)CCN(C)C 269982a_100102631434_100000737597 [1,1,0,0,0,0|2,0,0]=4 6449 B9R0.48 CCNC(=O)CCN(C)C 527a_100015525214_100000689311 [1,1,0,0,0,0|2,0,0]=4 6450 B9R0.48 CCNC(=O)CC[S+](C)C 11a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 6451 B9R0.48 CCNC(=O)CC[S+](C)C 240690a_100015525214_100009452791 [1,1,0,0,0,0|2,0,0]=4 6452 B9R0.48 CCNC(=O)CNC(C)C 2230a_100016988866_100000210206 [1,1,0,0,0,0|2,0,0]=4 6453 B9R0.48 CCNC(=O)CNC(C)C 2230a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 6454 B9R0.48 CCNC(=O)CNC(C)C 34a_100138425928_100000183381 [1,1,0,0,0,0|2,0,0]=4 6455 B9R0.48 CCNC(=O)COC(C)C 11a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 6456 B9R0.48 CCNC(=O)COC(C)C 240690a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 6457 B9R0.48 CCNC(=O)COC(C)C 34a_100000212225_100000183381 [1,1,0,0,0,0|2,0,0]=4 6458 B9R0.48 CCNC(=O)COC(C)C 527a_100015525214_100000745533 [1,1,0,0,0,0|2,0,0]=4 6459 B9R0.48 CCNC(=O)CSC(C)C 11a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 6460 B9R0.48 CCNC(=O)CSC(C)C 240690a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 6461 B9R0.48 CCNC(=O)CSC(C)C 527a_100015525214_100000241585 [1,1,0,0,0,0|2,0,0]=4 6462 B9R0.48 CCNC(=O)CSC(C)C 62a_100000183381_100000210206 [1,1,0,0,0,0|2,0,0]=4 6463 B9R0.48 CCNC(=O)CSC(C)C 62a_100000210206_100000183381 [1,1,0,0,0,0|2,0,0]=4 6464 B9R0.48 CCNC(=O)NCC(C)C 2708a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 6465 B9R0.48 CCNC(=O)NCC(C)C 2708a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 6466 B9R0.48 CCNC(=O)NCC(C)C 273464a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 6467 B9R0.48 CCNC(=O)NCC(C)C 273464a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 6468 B9R0.48 CCNC(=O)NCC(C)C 512a_100000210953_100015525214 [1,1,0,0,0,0|2,0,0]=4 6469 B9R0.48 CCNC(=O)NCC(C)C 512a_100015525214_100000210953 [1,1,0,0,0,0|2,0,0]=4 6470 B9R0.48 CCNC(=O)NCC(C)O 2708a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 6471 B9R0.48 CCNC(=O)NCC(C)O 273464a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 6472 B9R0.48 CCNC(=O)NCC(C)O 273464a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 6473 B9R0.48 CCNC(=O)NCC(C)O 512a_100000210904_100015525214 [1,1,0,0,0,0|2,0,0]=4 6474 B9R0.48 CCNC(=O)NCC(C)O 512a_100015525214_100000210904 [1,1,0,0,0,0|2,0,0]=4 6475 B9R0.48 CCOC(=O)CCC(=O)C 1458a_100000183558_200000210301 [1,1,0,0,0,0|0,0,1]=3 6476 B9R0.48 CCOC(=O)CCC(=O)[13CH3] 1458a_100000183558_200025704644 [1,1,0,0,0,0|0,0,1]=3 6477 B9R0.48 CCOC(=O)CCN(C)C 2230a_100000745921_200000210301 [1,1,0,0,0,0|1,0,0]=3 6478 B9R0.48 CCOC(=O)CCN(C)C 2230a_100102631434_100011206558 [1,1,0,0,0,0|1,0,0]=3 6479 B9R0.48 CCOC(=O)CCN(C)C 269982a_100000745921_200000210301 [1,1,0,0,0,0|1,0,0]=3 6480 B9R0.48 CCOC(=O)CCN(C)C 269982a_100102631434_100011206558 [1,1,0,0,0,0|1,0,0]=3 6481 B9R0.48 CCOC(=O)CCN(C)[13CH3] 2230a_100000745921_200025704644 [1,1,0,0,0,0|1,0,0]=3 6482 B9R0.48 CCOC(=O)CCN(C)[13CH3] 269982a_100000745921_200025704644 [1,1,0,0,0,0|1,0,0]=3 6483 B9R0.48 CCOC(=O)CNC(=O)C 188690a_100000741813_100015343762 [1,1,0,0,0,0|1,0,1]=4 6484 B9R0.48 CCOC(=O)CNC(C)C 2230a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 6485 B9R0.48 CCOC(=O)CNC(C)C 34a_100138425928_100000188475 [1,1,0,0,0,0|1,0,0]=3 6486 B9R0.48 CCOC(=O)COC(C)C 34a_100000212225_100000188475 [1,1,0,0,0,0|1,0,0]=3 6487 B9R0.48 CCOC(=O)CSC(C)C 62a_100000188475_100000210206 [1,1,0,0,0,0|1,0,0]=3 6488 B9R0.48 CCOC(=O)CSC(C)C 62a_100000210206_100000188475 [1,1,0,0,0,0|1,0,0]=3 6489 B9R0.48 CCOC(=O)NCC(=O)C 1458a_100000190774_200000210301 [1,1,0,0,0,0|1,0,1]=4 6490 B9R0.48 CCOC(=O)NCC(=O)[13CH3] 1458a_100000190774_200025704644 [1,1,0,0,0,0|1,0,1]=4 6491 B9R0.48 CCOC(C)CCC(C)C 34a_100011215350_100000210202 [1,1,0,0,0,0|1,0,1]=4 6492 B9R0.48 CCOC(C)CCC(C)C 34a_100121572206_100011261404 [1,1,0,0,0,0|1,0,1]=4 6493 B9R0.48 CCOC(C)CCC(C)C 7a_100011215350_100000210202 [1,1,0,0,0,0|1,0,1]=4 6494 B9R0.48 CNNC(=O)CCC(C)C 22a_100016993582_100000181311 [1,1,0,0,0,0|2,0,0]=4 6495 B9R0.48 COCC(=O)CCC(C)C 1458a_100000210968_100000210312 [1,1,0,0,0,0|2,0,0]=4 6496 B9R0.48 COCC(=O)CCC(C)O 1458a_100000210968_100012276601 [1,1,0,0,0,0|2,0,0]=4 6497 B9R0.48 CSCC(=O)CCC(C)C 1458a_100000184570_100000210312 [1,1,0,0,0,0|2,0,0]=4 6498 B9R0.48 CSCC(=O)CCC(C)O 1458a_100000184570_100012276601 [1,1,0,0,0,0|2,0,0]=4 6499 B9R0.66 CCCCC(C)(C)OCC 7a_100011219641_100000210202 [1,1,0,0,0,0|1,0,1]=4 6500 B9R0.66 CCCCS(=O)(=O)NCC 270084a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 6501 B9R0.66 CCCCS(=O)(=O)NCC 274078a_100015525214_100000212082 [1,1,0,0,0,0|2,0,0]=4 6502 B9R0.66 CCCCS(=O)(=O)NCC 40a_100015525214_100000054263 [1,1,0,0,0,0|2,0,0]=4 6503 B9R0.2 CC(C)CCCCOCF 34a_100011214890_100015361967 [1,1,0,0,0,0|1,0,1]=4 6504 B9R0.2 CC(C)CCCCOCF 7a_100011214890_100015361967 [1,1,0,0,0,0|1,0,1]=4 6505 B9R0.2 CC(C)OCCCCCBr 34a_100000746331_100000210206 [1,1,0,0,0,0|1,0,1]=4 6506 B9R0.2 CC(C)OCCCCCBr 7a_100000746331_100000210206 [1,1,0,0,0,0|1,0,1]=4 6507 B9R0.2 CC(C)OCCCCCCl 34a_100000746330_100000210206 [1,1,0,0,0,0|1,0,1]=4 6508 B9R0.2 CC(C)OCCCCCCl 7a_100000746330_100000210206 [1,1,0,0,0,0|1,0,1]=4 6509 B9R0.2 CC(C)OCCCCCF 34a_100000212225_100000729378 [1,1,0,0,0,0|1,0,1]=4 6510 B9R0.2 CC(C)OCCCCCI 34a_200012148887_100000210206 [1,1,0,0,0,0|1,0,1]=4 6511 B9R0.2 CC(C)OCCCCCI 7a_200012148887_100000210206 [1,1,0,0,0,0|1,0,1]=4 6512 B9R0.2 CC(C)OCCCCCN 34a_100000762737_100000210206 [1,1,0,0,0,0|1,0,1]=4 6513 B9R0.2 CC(C)OCCCCCO 34a_100000212225_100000746330 [1,1,0,0,0,0|1,0,1]=4 6514 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,1,0,0,0,0|2,0,0]=4 6515 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,1,0,0,0,0|2,0,0]=4 6516 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,1,0,0,0,0|2,0,0]=4 6517 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,1,0,0,0,0|2,0,0]=4 6518 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,1,0,0,0,0|2,0,0]=4 6519 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,1,0,0,0,0|2,0,0]=4 6520 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,1,0,0,0,0|2,0,0]=4 6521 B9R0.2 CC/C=C\CNCC(C)C 2230a_100000210953_100103147603 [1,1,0,0,0,0|2,0,0]=4 6522 B9R0.2 CC/C=C\CNCC(C)C 34a_100000210953_100103147603 [1,1,0,0,0,0|2,0,0]=4 6523 B9R0.2 CC/C=C\CNCC(C)O 2230a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 6524 B9R0.2 CC/C=C\CNCC(C)O 34a_100000210904_100103147603 [1,1,0,0,0,0|2,0,0]=4 6525 B9R0.2 CC/C=C\COCC(C)Br 34a_100012180447_100103147603 [1,1,0,0,0,0|2,0,0]=4 6526 B9R0.2 CC/C=C\COCC(C)C 34a_100000210257_100103147603 [1,1,0,0,0,0|2,0,0]=4 6527 B9R0.2 CC/C=C\COCC(C)C 34a_100016268518_100000210624 [1,1,0,0,0,0|2,0,0]=4 6528 B9R0.2 CC/C=C\COCC(C)F 34a_100015925927_100103147603 [1,1,0,0,0,0|2,0,0]=4 6529 B9R0.2 CC/C=C\COCC(C)O 34a_100016268518_100011218427 [1,1,0,0,0,0|2,0,0]=4 6530 B9R0.2 CC/C=C\COC[C@@H](C)Cl 34a_100016084084_100103147603 [1,1,0,0,0,0|2,0,0]=4 6531 B9R0.2 CC/C=C\COC[C@@H](C)N 34a_100000737577_100103147603 [1,1,0,0,0,0|2,0,0]=4 6532 B9R0.2 CC/C=C\COC[C@@H](C)O 34a_100016268518_100009817552 [1,1,0,0,0,0|2,0,0]=4 6533 B9R0.2 CC/C=C\CSCC(C)C 62a_100000210624_100103147603 [1,1,0,0,0,0|2,0,0]=4 6534 B9R0.2 CC/C=C\CSCC(C)C 62a_100103147603_100000210760 [1,1,0,0,0,0|2,0,0]=4 6535 B9R0.2 CC/C=C\CSCC(C)O 62a_100011218427_100103147603 [1,1,0,0,0,0|2,0,0]=4 6536 B9R0.2 CC/C=C\CSCC(C)O 62a_100103147603_100011218427 [1,1,0,0,0,0|2,0,0]=4 6537 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100009817552_100103147603 [1,1,0,0,0,0|2,0,0]=4 6538 B9R0.2 CC/C=C\CSC[C@@H](C)O 62a_100103147603_100009817552 [1,1,0,0,0,0|2,0,0]=4 6539 B9R0.2 CCCCCC=CC(=O)C 1458a_100016263427_200000210301 [1,1,0,0,0,0|1,0,1]=4 6540 B9R0.2 CCCCCC=CC(=O)[13CH3] 1458a_100016263427_200025704644 [1,1,0,0,0,0|1,0,1]=4 6541 B9R0.2 CCCCCCNC(C)C 2230a_100000210581_100000210206 [1,1,0,0,0,0|1,0,1]=4 6542 B9R0.2 CCCCCCNC(C)C 2230a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 6543 B9R0.2 CCCCCCNC(C)C 34a_100138425928_100000210314 [1,1,0,0,0,0|1,0,1]=4 6544 B9R0.2 CCCCCCOC(C)C 34a_100000210259_100000210206 [1,1,0,0,0,0|0,0,1]=3 6545 B9R0.2 CCCCCCOC(C)C 34a_100000212225_100000210314 [1,1,0,0,0,0|0,0,1]=3 6546 B9R0.2 CCCCCCOC(C)C 7a_100000210259_100000210206 [1,1,0,0,0,0|0,0,1]=3 6547 B9R0.2 CCCCCCSC(C)C 62a_100000210206_100000210757 [1,1,0,0,0,0|0,1,1]=4 6548 B9R0.2 CCCCCCSC(C)C 62a_100000210314_100000210206 [1,1,0,0,0,0|0,1,1]=4 6549 B9R0.2 CCCCCNCC(C)C 2230a_100000209983_100000210760 [1,1,0,0,0,0|2,0,0]=4 6550 B9R0.2 CCCCCNCC(C)C 2230a_100000210953_100000210326 [1,1,0,0,0,0|2,0,0]=4 6551 B9R0.2 CCCCCNCC(C)C 270004a_100000209983_100000210432 [1,1,0,0,0,0|2,0,0]=4 6552 B9R0.2 CCCCCNCC(C)C 34a_100000210953_100000718602 [1,1,0,0,0,0|2,0,0]=4 6553 B9R0.2 CCCCCNCC(C)O 2230a_100000209983_100011218427 [1,1,0,0,0,0|2,0,0]=4 6554 B9R0.2 CCCCCNCC(C)O 2230a_100000210904_100000210326 [1,1,0,0,0,0|2,0,0]=4 6555 B9R0.2 CCCCCNCC(C)O 34a_100000210904_100000718602 [1,1,0,0,0,0|2,0,0]=4 6556 B9R0.2 CCCCCNC[C@@H](C)O 2230a_100000209983_100009817552 [1,1,0,0,0,0|2,0,0]=4 6557 B9R0.2 CCCCCOCC(C)Br 34a_100012180447_100000718602 [1,1,0,0,0,0|2,0,0]=4 6558 B9R0.2 CCCCCOCC(C)C 34a_100000210253_100000210624 [1,1,0,0,0,0|2,0,0]=4 6559 B9R0.2 CCCCCOCC(C)C 34a_100000210257_100000718602 [1,1,0,0,0,0|2,0,0]=4 6560 B9R0.2 CCCCCOCC(C)C 7a_100000210253_100000210760 [1,1,0,0,0,0|2,0,0]=4 6561 B9R0.2 CCCCCOCC(C)F 34a_100015925927_100000718602 [1,1,0,0,0,0|2,0,0]=4 6562 B9R0.2 CCCCCOCC(C)O 34a_100000210253_100011218427 [1,1,0,0,0,0|2,0,0]=4 6563 B9R0.2 CCCCCOCC(C)O 7a_100000210253_100011218427 [1,1,0,0,0,0|2,0,0]=4 6564 B9R0.2 CCCCCOC[C@@H](C)Cl 34a_100016084084_100000718602 [1,1,0,0,0,0|2,0,0]=4 6565 B9R0.2 CCCCCOC[C@@H](C)N 34a_100000737577_100000718602 [1,1,0,0,0,0|2,0,0]=4 6566 B9R0.2 CCCCCOC[C@@H](C)O 34a_100000210253_100009817552 [1,1,0,0,0,0|2,0,0]=4 6567 B9R0.2 CCCCCOC[C@@H](C)O 7a_100000210253_100009817552 [1,1,0,0,0,0|2,0,0]=4 6568 B9R0.2 CCCCCSCC(C)C 62a_100000210326_100000210760 [1,1,0,0,0,0|2,0,0]=4 6569 B9R0.2 CCCCCSCC(C)C 62a_100000210624_100000210326 [1,1,0,0,0,0|2,0,0]=4 6570 B9R0.2 CCCCCSCC(C)O 62a_100000210326_100011218427 [1,1,0,0,0,0|2,0,0]=4 6571 B9R0.2 CCCCCSCC(C)O 62a_100011218427_100000210326 [1,1,0,0,0,0|2,0,0]=4 6572 B9R0.2 CCCCCSC[C@@H](C)O 62a_100000210326_100009817552 [1,1,0,0,0,0|2,0,0]=4 6573 B9R0.2 CCCCCSC[C@@H](C)O 62a_100009817552_100000210326 [1,1,0,0,0,0|2,0,0]=4 6574 B9R0.2 CCCCNCOC(C)C 2230a_100000102301_100000709892 [1,1,0,0,0,0|1,0,1]=4 6575 B9R0.2 CCCCOCOC(C)C 34a_100000210227_100000709892 [1,1,0,0,0,0|1,0,1]=4 6576 B9R0.2 CCCCOCOC(C)C 34a_100000212225_100011995733 [1,1,0,0,0,0|1,0,1]=4 6577 B9R0.2 CCCCSCOC(C)C 62a_100000210211_100000709892 [1,1,0,0,0,0|1,0,1]=4 6578 B9R0.2 CCCCSCOC(C)C 62a_100000709892_100000210210 [1,1,0,0,0,0|1,0,1]=4 6579 B9R0.2 CCCNCCCC(C)C 2230a_200000737386_100000210303 [1,1,0,0,0,0|2,0,0]=4 6580 B9R0.2 CCCNCCCC(C)C 34a_200000737386_100000210303 [1,1,0,0,0,0|2,0,0]=4 6581 B9R0.2 CCCNCCOC(C)C 2230a_100000701111_100000210303 [1,1,0,0,0,0|1,0,1]=4 6582 B9R0.2 CCCNCCOC(C)C 34a_100000701111_100000210303 [1,1,0,0,0,0|1,0,1]=4 6583 B9R0.2 CCCOCCCC(C)C 34a_100000210258_100011214892 [1,1,0,0,0,0|2,0,0]=4 6584 B9R0.2 CCCOCCCC(C)C 34a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 6585 B9R0.2 CCCOCCCC(C)C 7a_100000210774_100000210303 [1,1,0,0,0,0|2,0,0]=4 6586 B9R0.2 CCCOCCCC(C)O 34a_100000210258_200000718107 [1,1,0,0,0,0|2,0,0]=4 6587 B9R0.2 CCCOCCOC(C)C 34a_100000210258_100000211751 [1,1,0,0,0,0|1,0,1]=4 6588 B9R0.2 CCCOCCOC(C)C 34a_100000211219_100000210303 [1,1,0,0,0,0|1,0,1]=4 6589 B9R0.2 CCCOCCOC(C)C 34a_100000212225_100011215938 [1,1,0,0,0,0|1,0,1]=4 6590 B9R0.2 CCCOCCOC(C)C 34a_100000752267_100000210206 [1,1,0,0,0,0|1,0,1]=4 6591 B9R0.2 CCCOCCOC(C)C 7a_100000211219_100000210303 [1,1,0,0,0,0|1,0,1]=4 6592 B9R0.2 CCCOCCOC(C)C 7a_100000752267_100000210206 [1,1,0,0,0,0|1,0,1]=4 6593 B9R0.2 CCCSCCCC(C)C 62a_100000210303_100011214892 [1,1,0,0,0,0|2,0,0]=4 6594 B9R0.2 CCCSCCCC(C)C 62a_100011214892_100000210303 [1,1,0,0,0,0|2,0,0]=4 6595 B9R0.2 CCCSCCCC(C)O 62a_100000210303_200000718107 [1,1,0,0,0,0|2,0,0]=4 6596 B9R0.2 CCCSCCCC(C)O 62a_200000718107_100000210303 [1,1,0,0,0,0|2,0,0]=4 6597 B9R0.2 CCCSCCOC(C)C 34a_200000230433_100000210206 [1,1,0,0,0,0|1,0,1]=4 6598 B9R0.2 CCCSCCOC(C)C 62a_100000210303_100000211751 [1,1,0,0,0,0|1,0,1]=4 6599 B9R0.2 CCCSCCOC(C)C 62a_100000211751_100000210303 [1,1,0,0,0,0|1,0,1]=4 6600 B9R0.2 CCCSCCOC(C)C 7a_200000230433_100000210206 [1,1,0,0,0,0|1,0,1]=4 6601 B9R0.2 CCNCCCCC(C)C 2230a_100015525214_100011216152 [1,1,0,0,0,0|1,0,1]=4 6602 B9R0.2 CCNCCCOC(C)C 2230a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 6603 B9R0.2 CCNCCCOC(C)C 34a_100000737246_100000210202 [1,1,0,0,0,0|1,0,1]=4 6604 B9R0.2 CCOCCCCC(=O)C 34a_100121572206_100009817362 [1,1,0,0,0,0|0,0,2]=4 6605 B9R0.2 CCOCCCCC(C)C 34a_100011214890_100000210202 [1,1,0,0,0,0|0,0,1]=3 6606 B9R0.2 CCOCCCCC(C)C 34a_100121572206_100011216152 [1,1,0,0,0,0|0,0,1]=3 6607 B9R0.2 CCOCCCCC(C)C 7a_100011214890_100000210202 [1,1,0,0,0,0|0,0,1]=3 6608 B9R0.2 CCOCCCNC(C)C 2230a_100000210961_100000210206 [1,1,0,0,0,0|1,0,1]=4 6609 B9R0.2 CCOCCCNC(C)C 2230a_100138425928_100012232248 [1,1,0,0,0,0|1,0,1]=4 6610 B9R0.2 CCOCCCNC(C)C 34a_100000182298_100000210202 [1,1,0,0,0,0|1,0,1]=4 6611 B9R0.2 CCOCCCNC(C)C 34a_100000210961_100000210206 [1,1,0,0,0,0|1,0,1]=4 6612 B9R0.2 CCOCCCNC(C)C 34a_100138425928_100012232248 [1,1,0,0,0,0|1,0,1]=4 6613 B9R0.2 CCOCCCOC(C)C 34a_100000212225_100012232248 [1,1,0,0,0,0|1,0,1]=4 6614 B9R0.2 CCOCCCOC(C)C 34a_100000757476_100000210206 [1,1,0,0,0,0|1,0,1]=4 6615 B9R0.2 CCOCCCOC(C)C 7a_100000757476_100000210206 [1,1,0,0,0,0|1,0,1]=4 6616 B9R0.2 CCOCCCSC(C)C 62a_100000210206_100012232248 [1,1,0,0,0,0|1,0,1]=4 6617 B9R0.2 CCOCCCSC(C)C 62a_100012232248_100000210206 [1,1,0,0,0,0|1,0,1]=4 6618 B9R0.2 CCOCCNCC(C)C 2230a_100000210953_100011215890 [1,1,0,0,0,0|1,0,1]=4 6619 B9R0.2 CCOCCNCC(C)C 2230a_102516460346_100000210760 [1,1,0,0,0,0|1,0,1]=4 6620 B9R0.2 CCOCCNCC(C)C 270004a_102516460346_100000210432 [1,1,0,0,0,0|1,0,1]=4 6621 B9R0.2 CCOCCNCC(C)C 34a_100000210953_100000210147 [1,1,0,0,0,0|1,0,1]=4 6622 B9R0.2 CCOCCNCC(C)C 34a_100015185251_100000210202 [1,1,0,0,0,0|1,0,1]=4 6623 B9R0.2 CCOCCNCC(C)C 34a_102516460346_100000210624 [1,1,0,0,0,0|1,0,1]=4 6624 B9R0.2 CCOCCNCC(C)O 2230a_100000210904_100011215890 [1,1,0,0,0,0|1,0,1]=4 6625 B9R0.2 CCOCCNCC(C)O 2230a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 6626 B9R0.2 CCOCCNCC(C)O 34a_100000210904_100000210147 [1,1,0,0,0,0|1,0,1]=4 6627 B9R0.2 CCOCCNCC(C)O 34a_102516460346_100011218427 [1,1,0,0,0,0|1,0,1]=4 6628 B9R0.2 CCOCCNC[C@@H](C)O 2230a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 6629 B9R0.2 CCOCCNC[C@@H](C)O 34a_102516460346_100009817552 [1,1,0,0,0,0|1,0,1]=4 6630 B9R0.2 CCOCCOCC(C)Br 34a_100012180447_100000210147 [1,1,0,0,0,0|1,0,1]=4 6631 B9R0.2 CCOCCOCC(C)C 34a_100000210136_100000210624 [1,1,0,0,0,0|1,0,1]=4 6632 B9R0.2 CCOCCOCC(C)C 34a_100000210257_100000210147 [1,1,0,0,0,0|1,0,1]=4 6633 B9R0.2 CCOCCOCC(C)C 34a_100000703358_100000210202 [1,1,0,0,0,0|1,0,1]=4 6634 B9R0.2 CCOCCOCC(C)C 7a_100000210136_100000210760 [1,1,0,0,0,0|1,0,1]=4 6635 B9R0.2 CCOCCOCC(C)C 7a_100000703358_100000210202 [1,1,0,0,0,0|1,0,1]=4 6636 B9R0.2 CCOCCOCC(C)F 34a_100015925927_100000210147 [1,1,0,0,0,0|1,0,1]=4 6637 B9R0.2 CCOCCOCC(C)O 34a_100000210136_100011218427 [1,1,0,0,0,0|1,0,1]=4 6638 B9R0.2 CCOCCOCC(C)O 7a_100000210136_100011218427 [1,1,0,0,0,0|1,0,1]=4 6639 B9R0.2 CCOCCOC[C@@H](C)Cl 34a_100016084084_100000210147 [1,1,0,0,0,0|1,0,1]=4 6640 B9R0.2 CCOCCOC[C@@H](C)N 34a_100000737577_100000210147 [1,1,0,0,0,0|1,0,1]=4 6641 B9R0.2 CCOCCOC[C@@H](C)O 34a_100000210136_100009817552 [1,1,0,0,0,0|1,0,1]=4 6642 B9R0.2 CCOCCOC[C@@H](C)O 7a_100000210136_100009817552 [1,1,0,0,0,0|1,0,1]=4 6643 B9R0.2 CCOCCSCC(C)C 34a_200000230437_100000210202 [1,1,0,0,0,0|1,0,1]=4 6644 B9R0.2 CCOCCSCC(C)C 62a_100000210147_100000210760 [1,1,0,0,0,0|1,0,1]=4 6645 B9R0.2 CCOCCSCC(C)C 62a_100000210624_100011215890 [1,1,0,0,0,0|1,0,1]=4 6646 B9R0.2 CCOCCSCC(C)C 7a_200000230437_100000210202 [1,1,0,0,0,0|1,0,1]=4 6647 B9R0.2 CCOCCSCC(C)O 62a_100000210147_100011218427 [1,1,0,0,0,0|1,0,1]=4 6648 B9R0.2 CCOCCSCC(C)O 62a_100011218427_100011215890 [1,1,0,0,0,0|1,0,1]=4 6649 B9R0.2 CCOCCSC[C@@H](C)O 62a_100000210147_100009817552 [1,1,0,0,0,0|1,0,1]=4 6650 B9R0.2 CCOCCSC[C@@H](C)O 62a_100009817552_100011215890 [1,1,0,0,0,0|1,0,1]=4 6651 B9R0.2 CCOCSCCC(C)C 62a_100000210312_100000739092 [1,1,0,0,0,0|1,0,1]=4 6652 B9R0.2 CCOCSCCC(C)C 62a_100000739092_100000210312 [1,1,0,0,0,0|1,0,1]=4 6653 B9R0.2 CCOCSCCC(C)O 62a_100000739092_100012276601 [1,1,0,0,0,0|1,0,1]=4 6654 B9R0.2 CCOCSCCC(C)O 62a_100012276601_100000739092 [1,1,0,0,0,0|1,0,1]=4 6655 B9R0.2 CCSCCCCC(C)C 62a_100000210202_100011216152 [1,1,0,0,0,0|0,1,1]=4 6656 B9R0.2 CCSCCCCC(C)C 62a_100011216152_100000210202 [1,1,0,0,0,0|0,1,1]=4 6657 B9R0.2 CCSCCCOC(C)C 34a_100011216438_100000210206 [1,1,0,0,0,0|1,0,1]=4 6658 B9R0.2 CCSCCCOC(C)C 7a_100011216438_100000210206 [1,1,0,0,0,0|1,0,1]=4 6659 B9R0.2 COCCCCOC(C)C 34a_100000212225_100000755781 [1,1,0,0,0,0|1,0,1]=4 6660 B9R0.2 COCCCCOC(C)C 34a_100000740925_100000210206 [1,1,0,0,0,0|1,0,1]=4 6661 B9R0.2 CSCCCCOC(C)C 34a_100011217163_100000210206 [1,1,0,0,0,0|1,0,1]=4 6662 B9R0.2 CSCCCCOC(C)C 7a_100011217163_100000210206 [1,1,0,0,0,0|1,0,1]=4 6663 B9R0.45 C#CCCCCCOCC 34a_100000766912_100000210202 [1,1,0,0,0,0|0,0,2]=4 6664 B9R0.45 C#CCCCCCOCC 34a_100121572206_100012094781 [1,1,0,0,0,0|0,0,2]=4 6665 B9R0.45 C#CCCCCCOCC 7a_100000766912_100000210202 [1,1,0,0,0,0|0,0,2]=4 6666 B9R0.45 C#CCOCCCCCC 34a_100000210247_100000210314 [1,1,0,0,0,0|0,0,2]=4 6667 B9R0.45 C#CCOCCCCCC 34a_100000210259_100000184674 [1,1,0,0,0,0|0,0,2]=4 6668 B9R0.45 C#CCOCCCCCC 7a_100000210259_100000038162 [1,1,0,0,0,0|0,0,2]=4 6669 B9R0.45 C=CCCCCCOCC 34a_100011216702_100000210202 [1,1,0,0,0,0|0,0,2]=4 6670 B9R0.45 C=CCCCCCOCC 34a_100121572206_100000700193 [1,1,0,0,0,0|0,0,2]=4 6671 B9R0.45 C=CCCCCCOCC 7a_100011216702_100000210202 [1,1,0,0,0,0|0,0,2]=4 6672 B9R0.45 C=CCOCCCCCC 34a_100000210259_100015514636 [1,1,0,0,0,0|0,0,2]=4 6673 B9R0.45 C=CCOCCCCCC 34a_200000210373_100000210314 [1,1,0,0,0,0|0,0,2]=4 6674 B9R0.45 C=CCOCCCCCC 7a_100000210259_100015514636 [1,1,0,0,0,0|0,0,2]=4 6675 B9R0.45 CC/C=C/CCCOCC 34a_100016287902_100000210202 [1,1,0,0,0,0|1,0,0]=3 6676 B9R0.45 CC/C=C/CCCOCC 7a_100016287902_100000210202 [1,1,0,0,0,0|1,0,0]=3 6677 B9R0.45 CC/C=C/CCCOCF 34a_100016287902_100015361967 [1,1,0,0,0,0|2,0,0]=4 6678 B9R0.45 CC/C=C/CCCOCF 7a_100016287902_100015361967 [1,1,0,0,0,0|2,0,0]=4 6679 B9R0.45 CC/C=C\CCCCOC 34a_100016287862_200000210301 [1,1,0,0,0,0|1,0,0]=3 6680 B9R0.45 CC/C=C\CCCCOC 7a_100016287862_200000210301 [1,1,0,0,0,0|1,0,0]=3 6681 B9R0.45 CC/C=C\CCCCO[13CH3] 34a_100016287862_200025704644 [1,1,0,0,0,0|1,0,0]=3 6682 B9R0.45 CC/C=C\CCCCO[13CH3] 7a_100016287862_200025704644 [1,1,0,0,0,0|1,0,0]=3 6683 B9R0.45 CC/C=C\CCNCCF 34a_100000724931_100015370543 [1,1,0,0,0,0|2,0,0]=4 6684 B9R0.45 CC/C=C\CCNCCO 2230a_100016997473_100015370543 [1,1,0,0,0,0|2,0,0]=4 6685 B9R0.45 CC/C=C\CCNCCO 34a_100016990907_100015370543 [1,1,0,0,0,0|2,0,0]=4 6686 B9R0.45 CC/C=C\CCOCCBr 34a_100000211926_100015370543 [1,1,0,0,0,0|2,0,0]=4 6687 B9R0.45 CC/C=C\CCOCCC 34a_100000210258_100015370543 [1,1,0,0,0,0|1,0,0]=3 6688 B9R0.45 CC/C=C\CCOCCC 34a_100016288707_100000210303 [1,1,0,0,0,0|1,0,0]=3 6689 B9R0.45 CC/C=C\CCOCCC 7a_100016288707_100000210303 [1,1,0,0,0,0|1,0,0]=3 6690 B9R0.45 CC/C=C\CCOCCF 34a_100016288707_100011217306 [1,1,0,0,0,0|2,0,0]=4 6691 B9R0.45 CC/C=C\CCOCCF 7a_100016288707_100011217306 [1,1,0,0,0,0|2,0,0]=4 6692 B9R0.45 CC/C=C\CCOCCN 34a_100000210304_100015370543 [1,1,0,0,0,0|2,0,0]=4 6693 B9R0.45 CC/C=C\CCOCCO 34a_100016288707_100000211926 [1,1,0,0,0,0|2,0,0]=4 6694 B9R0.45 CC/C=C\CCOCCO 7a_100016288707_100000211926 [1,1,0,0,0,0|2,0,0]=4 6695 B9R0.45 CC/C=C\CCOCSC 34a_100016288707_100011218213 [1,1,0,0,0,0|2,0,0]=4 6696 B9R0.45 CC/C=C\CCSCCC 62a_100000210303_100015370543 [1,1,0,0,0,0|1,0,0]=3 6697 B9R0.45 CC/C=C\CCSCCC 62a_100015370543_100000210303 [1,1,0,0,0,0|1,0,0]=3 6698 B9R0.45 CC/C=C\CCSCCF 62a_100011217306_100015370543 [1,1,0,0,0,0|2,0,0]=4 6699 B9R0.45 CC/C=C\CCSCCF 62a_100015370543_100011217306 [1,1,0,0,0,0|2,0,0]=4 6700 B9R0.45 CC/C=C\CCSCCO 62a_100000211926_100015370543 [1,1,0,0,0,0|2,0,0]=4 6701 B9R0.45 CC/C=C\CCSCCO 62a_100015370543_100000211926 [1,1,0,0,0,0|2,0,0]=4 6702 B9R0.45 CC/C=C\CCSCOC 62a_100000766300_100015370543 [1,1,0,0,0,0|2,0,0]=4 6703 B9R0.45 CC/C=C\CCSCOC 62a_100015370543_100000766300 [1,1,0,0,0,0|2,0,0]=4 6704 B9R0.45 CC/C=C\CCSCSC 62a_100011218213_100015370543 [1,1,0,0,0,0|2,0,0]=4 6705 B9R0.45 CC/C=C\CCSCSC 62a_100015370543_100011218213 [1,1,0,0,0,0|2,0,0]=4 6706 B9R0.45 CC/C=C\CNCCCC 2230a_100000102301_100103147603 [1,1,0,0,0,0|1,0,0]=3 6707 B9R0.45 CC/C=C\CNCCCC 7a_106832991798_100103147603 [1,1,0,0,0,0|1,0,0]=3 6708 B9R0.45 CC/C=C\CNCCCF 2230a_100015189416_100103147603 [1,1,0,0,0,0|2,0,0]=4 6709 B9R0.45 CC/C=C\CNCCCF 34a_100015189416_100103147603 [1,1,0,0,0,0|2,0,0]=4 6710 B9R0.45 CC/C=C\CNCCOC 2230a_100000209980_100103147603 [1,1,0,0,0,0|2,0,0]=4 6711 B9R0.45 CC/C=C\CNCCSC 2230a_100020590264_100103147603 [1,1,0,0,0,0|2,0,0]=4 6712 B9R0.45 CC/C=C\COCCCBr 34a_100011217188_100103147603 [1,1,0,0,0,0|2,0,0]=4 6713 B9R0.45 CC/C=C\COCCCC 34a_100000210227_100103147603 [1,1,0,0,0,0|1,0,0]=3 6714 B9R0.45 CC/C=C\COCCCC 34a_100016268518_100000210210 [1,1,0,0,0,0|1,0,0]=3 6715 B9R0.45 CC/C=C\COCCCC 7a_100000210227_100103147603 [1,1,0,0,0,0|1,0,0]=3 6716 B9R0.45 CC/C=C\COCCCCl 34a_100000230001_100103147603 [1,1,0,0,0,0|2,0,0]=4 6717 B9R0.45 CC/C=C\COCCCF 34a_100000759539_100103147603 [1,1,0,0,0,0|2,0,0]=4 6718 B9R0.45 CC/C=C\COCCCF 34a_100016268518_100011934791 [1,1,0,0,0,0|2,0,0]=4 6719 B9R0.45 CC/C=C\COCCCN 34a_100000182051_100103147603 [1,1,0,0,0,0|2,0,0]=4 6720 B9R0.45 CC/C=C\COCCCO 34a_100016268518_100000230001 [1,1,0,0,0,0|2,0,0]=4 6721 B9R0.45 CC/C=C\COCCOC 34a_100000210237_100103147603 [1,1,0,0,0,0|2,0,0]=4 6722 B9R0.45 CC/C=C\COCCOC 34a_100016268518_100011201679 [1,1,0,0,0,0|2,0,0]=4 6723 B9R0.45 CC/C=C\COCCSC 34a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 6724 B9R0.45 CC/C=C\COCCSC 34a_100016268518_100000212216 [1,1,0,0,0,0|2,0,0]=4 6725 B9R0.45 CC/C=C\COCCSC 7a_100000230434_100103147603 [1,1,0,0,0,0|2,0,0]=4 6726 B9R0.45 CC/C=C\CSCCCC 62a_100000210211_100103147603 [1,1,0,0,0,0|1,0,0]=3 6727 B9R0.45 CC/C=C\CSCCCC 62a_100103147603_100000210210 [1,1,0,0,0,0|1,0,0]=3 6728 B9R0.45 CC/C=C\CSCCCF 62a_100011934791_100103147603 [1,1,0,0,0,0|2,0,0]=4 6729 B9R0.45 CC/C=C\CSCCCF 62a_100103147603_100011934791 [1,1,0,0,0,0|2,0,0]=4 6730 B9R0.45 CC/C=C\CSCCCO 62a_100011215043_100103147603 [1,1,0,0,0,0|2,0,0]=4 6731 B9R0.45 CC/C=C\CSCCCO 62a_100103147603_100011215043 [1,1,0,0,0,0|2,0,0]=4 6732 B9R0.45 CC/C=C\CSCCOC 62a_100000233755_100103147603 [1,1,0,0,0,0|2,0,0]=4 6733 B9R0.45 CC/C=C\CSCCOC 62a_100103147603_100000233755 [1,1,0,0,0,0|2,0,0]=4 6734 B9R0.45 CC/C=C\CSCCSC 62a_100000212216_100103147603 [1,1,0,0,0,0|2,0,0]=4 6735 B9R0.45 CC/C=C\CSCCSC 62a_100103147603_100000751147 [1,1,0,0,0,0|2,0,0]=4 6736 B9R0.45 CC/C=C\CSCOCC 62a_100000739092_100103147603 [1,1,0,0,0,0|2,0,0]=4 6737 B9R0.45 CC/C=C\CSCOCC 62a_100103147603_100000739092 [1,1,0,0,0,0|2,0,0]=4 6738 B9R0.45 CC=C=CCCOCCC 34a_100011020354_100000210303 [1,1,0,0,0,0|1,0,1]=4 6739 B9R0.45 CCC#CCCOCCC 34a_100000036655_100000210303 [1,1,0,0,0,0|1,0,1]=4 6740 B9R0.45 CCC#CCCOCCC 7a_100000036655_100000210303 [1,1,0,0,0,0|1,0,1]=4 6741 B9R0.45 CCC#CCNCCCC 2230a_100000102301_100009813939 [1,1,0,0,0,0|1,0,1]=4 6742 B9R0.45 CCC#CCNCCCC 7a_106832991798_100009813939 [1,1,0,0,0,0|1,0,1]=4 6743 B9R0.45 CCC#CCOCCCC 34a_100000032950_100000210210 [1,1,0,0,0,0|1,0,1]=4 6744 B9R0.45 CCC#CCOCCCC 34a_100000210227_100009813939 [1,1,0,0,0,0|1,0,1]=4 6745 B9R0.45 CCC#CCOCCCC 7a_100000210227_100009813939 [1,1,0,0,0,0|1,0,1]=4 6746 B9R0.45 CCC#CCSCCCC 62a_100000210211_100009813939 [1,1,0,0,0,0|1,0,1]=4 6747 B9R0.45 CCC#CCSCCCC 62a_100009813939_100000210210 [1,1,0,0,0,0|1,0,1]=4 6748 B9R0.45 CCC/C=C/COCCC 34a_100016278788_100000210303 [1,1,0,0,0,0|1,0,1]=4 6749 B9R0.45 CCC/C=C/COCCC 7a_100016278788_100000210303 [1,1,0,0,0,0|1,0,1]=4 6750 B9R0.45 CCC=NNCCCCC 4a_100000694160_100000210100 [1,1,0,0,0,0|2,0,0]=4 6751 B9R0.45 CCCC#CCCOCC 34a_100000042726_100000210202 [1,1,0,0,0,0|0,0,2]=4 6752 B9R0.45 CCCC#CCCOCC 7a_100000042726_100000210202 [1,1,0,0,0,0|0,0,2]=4 6753 B9R0.45 CCCC/C=C/COCC 34a_200016272032_100000210202 [1,1,0,0,0,0|0,0,1]=3 6754 B9R0.45 CCCC/C=C/COCC 7a_200016272032_100000210202 [1,1,0,0,0,0|0,0,1]=3 6755 B9R0.45 CCCC/C=C/COCF 34a_200016272032_100015361967 [1,1,0,0,0,0|1,0,1]=4 6756 B9R0.45 CCCC/C=C/COCF 7a_200016272032_100015361967 [1,1,0,0,0,0|1,0,1]=4 6757 B9R0.45 CCCC/C=C\CCOC 34a_200016286491_200000210301 [1,1,0,0,0,0|1,0,1]=4 6758 B9R0.45 CCCC/C=C\CCOC 7a_200016286491_200000210301 [1,1,0,0,0,0|1,0,1]=4 6759 B9R0.45 CCCC/C=C\CCO[13CH3] 34a_200016286491_200025704644 [1,1,0,0,0,0|1,0,1]=4 6760 B9R0.45 CCCC/C=C\CCO[13CH3] 7a_200016286491_200025704644 [1,1,0,0,0,0|1,0,1]=4 6761 B9R0.45 CCCC=NNCCCC 4a_100025702795_100000185831 [1,1,0,0,0,0|2,0,0]=4 6762 B9R0.45 CCCCC#CCOCC 34a_200000034558_100000210202 [1,1,0,0,0,0|0,0,2]=4 6763 B9R0.45 CCCCC#CCOCC 7a_200000034558_100000210202 [1,1,0,0,0,0|0,0,2]=4 6764 B9R0.45 CCCCC/C=C/COC 34a_100016258190_200000210301 [1,1,0,0,0,0|1,0,0]=3 6765 B9R0.45 CCCCC/C=C/COC 7a_100016258190_200000210301 [1,1,0,0,0,0|1,0,0]=3 6766 B9R0.45 CCCCC/C=C/CO[13CH3] 34a_100016258190_200025704644 [1,1,0,0,0,0|1,0,0]=3 6767 B9R0.45 CCCCC/C=C/CO[13CH3] 7a_100016258190_200025704644 [1,1,0,0,0,0|1,0,0]=3 6768 B9R0.45 CCCCCC#CCNC 2230a_106832991635_100009816472 [1,1,0,0,0,0|1,0,1]=4 6769 B9R0.45 CCCCCC#CCNC 34a_100102657272_100009816472 [1,1,0,0,0,0|1,0,1]=4 6770 B9R0.45 CCCCCC#CCNC 7a_106832991635_100009816472 [1,1,0,0,0,0|1,0,1]=4 6771 B9R0.45 CCCCCC#CCOC 34a_100138415774_100009816472 [1,1,0,0,0,0|1,0,1]=4 6772 B9R0.45 CCCCCC#CCOC 34a_200000033628_200000210301 [1,1,0,0,0,0|1,0,1]=4 6773 B9R0.45 CCCCCC#CCOC 7a_200000033628_200000210301 [1,1,0,0,0,0|1,0,1]=4 6774 B9R0.45 CCCCCC#CCO[13CH3] 34a_200000033628_200025704644 [1,1,0,0,0,0|1,0,1]=4 6775 B9R0.45 CCCCCC#CCO[13CH3] 7a_200000033628_200025704644 [1,1,0,0,0,0|1,0,1]=4 6776 B9R0.45 CCCCCC#CCSC 62a_100009816472_200000210301 [1,1,0,0,0,0|1,0,1]=4 6777 B9R0.45 CCCCCC#CCSC 62a_200000210301_100009816472 [1,1,0,0,0,0|1,0,1]=4 6778 B9R0.45 CCCCCC#CCS[13CH3] 62a_100009816472_200025704644 [1,1,0,0,0,0|1,0,1]=4 6779 B9R0.45 CCCCCC#CCS[13CH3] 62a_200025704644_100009816472 [1,1,0,0,0,0|1,0,1]=4 6780 B9R0.45 CCCCCC=NNCC 4a_100000756455_100000737632 [1,1,0,0,0,0|1,0,0]=3 6781 B9R0.45 CCCCCCCCNC 2230a_100000229939_200000210301 [1,1,0,0,0,0|1,0,1]=4 6782 B9R0.45 CCCCCCCCNC 2230a_106832991635_100000210759 [1,1,0,0,0,0|1,0,1]=4 6783 B9R0.45 CCCCCCCCNC 34a_100000229939_200000210301 [1,1,0,0,0,0|1,0,1]=4 6784 B9R0.45 CCCCCCCCNC 34a_100102657272_100000210759 [1,1,0,0,0,0|1,0,1]=4 6785 B9R0.45 CCCCCCCCNC 7a_106832991635_100000210759 [1,1,0,0,0,0|1,0,1]=4 6786 B9R0.45 CCCCCCCCN[13CH3] 2230a_100000229939_200025704644 [1,1,0,0,0,0|1,0,1]=4 6787 B9R0.45 CCCCCCCCN[13CH3] 34a_100000229939_200025704644 [1,1,0,0,0,0|1,0,1]=4 6788 B9R0.45 CCCCCCCCOC 34a_100000210232_200000210301 [1,1,0,0,0,0|1,0,1]=4 6789 B9R0.45 CCCCCCCCOC 34a_100138415774_100000210759 [1,1,0,0,0,0|1,0,1]=4 6790 B9R0.45 CCCCCCCCOC 7a_100000210232_200000210301 [1,1,0,0,0,0|1,0,1]=4 6791 B9R0.45 CCCCCCCCO[13CH3] 34a_100000210232_200025704644 [1,1,0,0,0,0|1,0,1]=4 6792 B9R0.45 CCCCCCCCO[13CH3] 7a_100000210232_200025704644 [1,1,0,0,0,0|1,0,1]=4 6793 B9R0.45 CCCCCCCCSC 62a_100000210759_200000210301 [1,1,0,0,0,0|1,0,1]=4 6794 B9R0.45 CCCCCCCCSC 62a_200000210301_100000210317 [1,1,0,0,0,0|1,0,1]=4 6795 B9R0.45 CCCCCCCCS[13CH3] 62a_100000210759_200025704644 [1,1,0,0,0,0|1,0,1]=4 6796 B9R0.45 CCCCCCCCS[13CH3] 62a_200025704644_100000210317 [1,1,0,0,0,0|1,0,1]=4 6797 B9R0.45 CCCCCCCNCC 2230a_100000229938_100000210202 [1,1,0,0,0,0|1,0,1]=4 6798 B9R0.45 CCCCCCCNCC 2230a_100015525214_100000210681 [1,1,0,0,0,0|1,0,1]=4 6799 B9R0.45 CCCCCCCOCC 34a_100000210272_100000210202 [1,1,0,0,0,0|0,0,1]=3 6800 B9R0.45 CCCCCCCOCC 34a_100121572206_100000210614 [1,1,0,0,0,0|0,0,1]=3 6801 B9R0.45 CCCCCCCOCC 7a_100000210272_100000210202 [1,1,0,0,0,0|0,0,1]=3 6802 B9R0.45 CCCCCCCOCF 34a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 6803 B9R0.45 CCCCCCCOCF 7a_100000210272_100015361967 [1,1,0,0,0,0|1,0,1]=4 6804 B9R0.45 CCCCCCCSCC 62a_100000210202_100000210316 [1,1,0,0,0,0|0,1,1]=4 6805 B9R0.45 CCCCCCCSCC 62a_100000210614_100000210202 [1,1,0,0,0,0|0,1,1]=4 6806 B9R0.45 CCCCCCNCCC 2230a_100000210581_100000210303 [1,1,0,0,0,0|1,0,1]=4 6807 B9R0.45 CCCCCCNCCF 2230a_100000210581_100011217306 [1,1,0,0,0,0|1,0,1]=4 6808 B9R0.45 CCCCCCNCCF 34a_100000724931_100000210314 [1,1,0,0,0,0|1,0,1]=4 6809 B9R0.45 CCCCCCNCCO 2230a_100000210581_100000211926 [1,1,0,0,0,0|1,0,1]=4 6810 B9R0.45 CCCCCCNCCO 2230a_100016997473_100000210314 [1,1,0,0,0,0|1,0,1]=4 6811 B9R0.45 CCCCCCNCCO 34a_100016990907_100000210314 [1,1,0,0,0,0|1,0,1]=4 6812 B9R0.45 CCCCCCNCOC 2230a_100000210581_100000766300 [1,1,0,0,0,0|1,0,1]=4 6813 B9R0.45 CCCCCCNCSC 2230a_100000210581_100011218213 [1,1,0,0,0,0|1,0,1]=4 6814 B9R0.45 CCCCCCOCC#N 7a_100000210259_100011215382 [1,1,0,0,0,0|0,0,2]=4 6815 B9R0.45 CCCCCCOCC=O 34a_100000210259_200009817547 [1,1,0,0,0,0|0,0,2]=4 6816 B9R0.45 CCCCCCOCC=O 7a_100000210259_200015260668 [1,1,0,0,0,0|0,0,2]=4 6817 B9R0.45 CCCCCCOCCBr 34a_100000211926_100000210314 [1,1,0,0,0,0|0,0,1]=3 6818 B9R0.45 CCCCCCOCCC 34a_100000210258_100000210314 [1,1,0,0,0,0|0,0,1]=3 6819 B9R0.45 CCCCCCOCCC 34a_100000210259_100000210303 [1,1,0,0,0,0|0,0,1]=3 6820 B9R0.45 CCCCCCOCCC 7a_100000210259_100000210303 [1,1,0,0,0,0|0,0,1]=3 6821 B9R0.45 CCCCCCOCCF 34a_100000210259_100011217306 [1,1,0,0,0,0|0,0,1]=3 6822 B9R0.45 CCCCCCOCCF 7a_100000210259_100011217306 [1,1,0,0,0,0|0,0,1]=3 6823 B9R0.45 CCCCCCOCCN 34a_100000210304_100000210314 [1,1,0,0,0,0|0,0,1]=3 6824 B9R0.45 CCCCCCOCCO 34a_100000210259_100000211926 [1,1,0,0,0,0|0,0,1]=3 6825 B9R0.45 CCCCCCOCCO 7a_100000210259_100000211926 [1,1,0,0,0,0|0,0,1]=3 6826 B9R0.45 CCCCCCOCSC 34a_100000210259_100011218213 [1,1,0,0,0,0|0,0,1]=3 6827 B9R0.45 CCCCCCSCCC 62a_100000210303_100000210757 [1,1,0,0,0,0|0,1,1]=4 6828 B9R0.45 CCCCCCSCCC 62a_100000210314_100000210303 [1,1,0,0,0,0|0,1,1]=4 6829 B9R0.45 CCCCCCSCCF 62a_100000210314_100011217306 [1,1,0,0,0,0|0,1,1]=4 6830 B9R0.45 CCCCCCSCCF 62a_100011217306_100000210757 [1,1,0,0,0,0|0,1,1]=4 6831 B9R0.45 CCCCCCSCCO 62a_100000210314_100000211926 [1,1,0,0,0,0|0,1,1]=4 6832 B9R0.45 CCCCCCSCCO 62a_100000211926_100000210757 [1,1,0,0,0,0|0,1,1]=4 6833 B9R0.45 CCCCCCSCOC 62a_100000210314_100000766300 [1,1,0,0,0,0|0,1,1]=4 6834 B9R0.45 CCCCCCSCOC 62a_100000766300_100000210757 [1,1,0,0,0,0|0,1,1]=4 6835 B9R0.45 CCCCCCSCSC 62a_100000210314_100011218213 [1,1,0,0,0,0|0,1,1]=4 6836 B9R0.45 CCCCCCSCSC 62a_100011218213_100000210757 [1,1,0,0,0,0|0,1,1]=4 6837 B9R0.45 CCCCCNCCCC 2230a_100000102301_100000210326 [1,1,0,0,0,0|1,0,1]=4 6838 B9R0.45 CCCCCNCCCC 2230a_100000209983_100000210211 [1,1,0,0,0,0|1,0,1]=4 6839 B9R0.45 CCCCCNCCCC 7a_106832991798_100000210326 [1,1,0,0,0,0|1,0,1]=4 6840 B9R0.45 CCCCCNCCCF 2230a_100000209983_100011934791 [1,1,0,0,0,0|2,0,0]=4 6841 B9R0.45 CCCCCNCCCF 2230a_100015189416_100000210326 [1,1,0,0,0,0|2,0,0]=4 6842 B9R0.45 CCCCCNCCCF 34a_100015189416_100000718602 [1,1,0,0,0,0|2,0,0]=4 6843 B9R0.45 CCCCCNCCCO 2230a_100000209983_100000230001 [1,1,0,0,0,0|2,0,0]=4 6844 B9R0.45 CCCCCNCCOC 2230a_100000209980_100000210326 [1,1,0,0,0,0|2,0,0]=4 6845 B9R0.45 CCCCCNCCOC 2230a_100000209983_100011201679 [1,1,0,0,0,0|2,0,0]=4 6846 B9R0.45 CCCCCNCCOC 34a_100000224656_200000210301 [1,1,0,0,0,0|2,0,0]=4 6847 B9R0.45 CCCCCNCCO[13CH3] 34a_100000224656_200025704644 [1,1,0,0,0,0|2,0,0]=4 6848 B9R0.45 CCCCCNCCSC 2230a_100000209983_100000751147 [1,1,0,0,0,0|2,0,0]=4 6849 B9R0.45 CCCCCNCCSC 2230a_100020590264_100000210326 [1,1,0,0,0,0|2,0,0]=4 6850 B9R0.45 CCCCCOCCCBr 34a_100011217188_100000718602 [1,1,0,0,0,0|2,0,0]=4 6851 B9R0.45 CCCCCOCCCC 34a_100000210227_100000718602 [1,1,0,0,0,0|1,0,1]=4 6852 B9R0.45 CCCCCOCCCC 34a_100000210253_100000210210 [1,1,0,0,0,0|1,0,1]=4 6853 B9R0.45 CCCCCOCCCC 7a_100000210227_100000210326 [1,1,0,0,0,0|1,0,1]=4 6854 B9R0.45 CCCCCOCCCC 7a_100000210253_100000210211 [1,1,0,0,0,0|1,0,1]=4 6855 B9R0.45 CCCCCOCCCCl 34a_100000230001_100000718602 [1,1,0,0,0,0|2,0,0]=4 6856 B9R0.45 CCCCCOCCCF 34a_100000210253_100011934791 [1,1,0,0,0,0|2,0,0]=4 6857 B9R0.45 CCCCCOCCCF 34a_100000759539_100000718602 [1,1,0,0,0,0|2,0,0]=4 6858 B9R0.45 CCCCCOCCCF 7a_100000210253_100011934791 [1,1,0,0,0,0|2,0,0]=4 6859 B9R0.45 CCCCCOCCCN 34a_100000182051_100000718602 [1,1,0,0,0,0|2,0,0]=4 6860 B9R0.45 CCCCCOCCCO 34a_100000210253_100000230001 [1,1,0,0,0,0|2,0,0]=4 6861 B9R0.45 CCCCCOCCCO 7a_100000210253_100011215043 [1,1,0,0,0,0|2,0,0]=4 6862 B9R0.45 CCCCCOCCOC 34a_100000210237_100000718602 [1,1,0,0,0,0|2,0,0]=4 6863 B9R0.45 CCCCCOCCOC 34a_100000210253_100011201679 [1,1,0,0,0,0|2,0,0]=4 6864 B9R0.45 CCCCCOCCOC 34a_100011215259_200000210301 [1,1,0,0,0,0|2,0,0]=4 6865 B9R0.45 CCCCCOCCOC 7a_100000210253_100000233755 [1,1,0,0,0,0|2,0,0]=4 6866 B9R0.45 CCCCCOCCOC 7a_100011215259_200000210301 [1,1,0,0,0,0|2,0,0]=4 6867 B9R0.45 CCCCCOCCO[13CH3] 34a_100011215259_200025704644 [1,1,0,0,0,0|2,0,0]=4 6868 B9R0.45 CCCCCOCCO[13CH3] 7a_100011215259_200025704644 [1,1,0,0,0,0|2,0,0]=4 6869 B9R0.45 CCCCCOCCSC 34a_100000210253_100000212216 [1,1,0,0,0,0|2,0,0]=4 6870 B9R0.45 CCCCCOCCSC 34a_100000230434_100000718602 [1,1,0,0,0,0|2,0,0]=4 6871 B9R0.45 CCCCCOCCSC 7a_100000210253_100000212216 [1,1,0,0,0,0|2,0,0]=4 6872 B9R0.45 CCCCCOCCSC 7a_100000230434_100000210326 [1,1,0,0,0,0|2,0,0]=4 6873 B9R0.45 CCCCCSCCCC 62a_100000210211_100000210326 [1,1,0,0,0,0|1,0,1]=4 6874 B9R0.45 CCCCCSCCCC 62a_100000210326_100000210210 [1,1,0,0,0,0|1,0,1]=4 6875 B9R0.45 CCCCCSCCCF 62a_100000210326_100011934791 [1,1,0,0,0,0|2,0,0]=4 6876 B9R0.45 CCCCCSCCCF 62a_100011934791_100000210326 [1,1,0,0,0,0|2,0,0]=4 6877 B9R0.45 CCCCCSCCCO 62a_100000210326_100011215043 [1,1,0,0,0,0|2,0,0]=4 6878 B9R0.45 CCCCCSCCCO 62a_100011215043_100000210326 [1,1,0,0,0,0|2,0,0]=4 6879 B9R0.45 CCCCCSCCOC 62a_100000210326_100000233755 [1,1,0,0,0,0|2,0,0]=4 6880 B9R0.45 CCCCCSCCOC 62a_100000233755_100000210326 [1,1,0,0,0,0|2,0,0]=4 6881 B9R0.45 CCCCCSCCSC 62a_100000210326_100000751147 [1,1,0,0,0,0|2,0,0]=4 6882 B9R0.45 CCCCCSCCSC 62a_100000212216_100000210326 [1,1,0,0,0,0|2,0,0]=4 6883 B9R0.45 CCCCCSCOCC 62a_100000210326_100000739092 [1,1,0,0,0,0|0,0,1]=3 6884 B9R0.45 CCCCCSCOCC 62a_100000739092_100000210326 [1,1,0,0,0,0|0,0,1]=3 6885 B9R0.45 CCCCNCCOCC 2230a_100000102301_100011215890 [1,1,0,0,0,0|0,0,1]=3 6886 B9R0.45 CCCCNCCOCC 2230a_102516460346_100000210211 [1,1,0,0,0,0|0,0,1]=3 6887 B9R0.45 CCCCNCCOCC 34a_102516460346_100000210210 [1,1,0,0,0,0|0,0,1]=3 6888 B9R0.45 CCCCNCCOCC 7a_106832991798_100011215890 [1,1,0,0,0,0|0,0,1]=3 6889 B9R0.45 CCCCNCCSCC 2230a_100000102301_100000757381 [1,1,0,0,0,0|0,1,1]=4 6890 B9R0.45 CCCCNCCSCC 2230a_100000106463_100000210211 [1,1,0,0,0,0|0,1,1]=4 6891 B9R0.45 CCCCNCCSCC 7a_106832991798_100000757381 [1,1,0,0,0,0|0,1,1]=4 6892 B9R0.45 CCCCOCCNCC 2230a_100015525214_100000743108 [1,1,0,0,0,0|1,0,1]=4 6893 B9R0.45 CCCCOCCOCC 34a_100000210136_100000210210 [1,1,0,0,0,0|0,0,1]=3 6894 B9R0.45 CCCCOCCOCC 34a_100000210227_100000210147 [1,1,0,0,0,0|0,0,1]=3 6895 B9R0.45 CCCCOCCOCC 34a_100000210238_100000210202 [1,1,0,0,0,0|0,0,1]=3 6896 B9R0.45 CCCCOCCOCC 34a_100121572206_100000743108 [1,1,0,0,0,0|0,0,1]=3 6897 B9R0.45 CCCCOCCOCC 7a_100000210136_100000210211 [1,1,0,0,0,0|0,0,1]=3 6898 B9R0.45 CCCCOCCOCC 7a_100000210227_100011215890 [1,1,0,0,0,0|0,0,1]=3 6899 B9R0.45 CCCCOCCOCC 7a_100000210238_100000210202 [1,1,0,0,0,0|0,0,1]=3 6900 B9R0.45 CCCCOCCOCF 34a_100000210238_100015361967 [1,1,0,0,0,0|1,0,1]=4 6901 B9R0.45 CCCCOCCOCF 7a_100000210238_100015361967 [1,1,0,0,0,0|1,0,1]=4 6902 B9R0.45 CCCCOCCSCC 34a_100000210227_100000757381 [1,1,0,0,0,0|0,1,1]=4 6903 B9R0.45 CCCCOCCSCC 34a_100000212035_100000210210 [1,1,0,0,0,0|0,1,1]=4 6904 B9R0.45 CCCCOCCSCC 62a_100000210202_100000743108 [1,1,0,0,0,0|0,1,1]=4 6905 B9R0.45 CCCCOCCSCC 62a_100000743108_100000210202 [1,1,0,0,0,0|0,1,1]=4 6906 B9R0.45 CCCCOCCSCC 7a_100000210227_100000757381 [1,1,0,0,0,0|0,1,1]=4 6907 B9R0.45 CCCCOCCSCC 7a_100000212035_100000210211 [1,1,0,0,0,0|0,1,1]=4 6908 B9R0.45 CCCCOCOCCBr 34a_100000211926_100011995733 [1,1,0,0,0,0|1,0,1]=4 6909 B9R0.45 CCCCOCOCCC 34a_100000210258_100011995733 [1,1,0,0,0,0|1,0,1]=4 6910 B9R0.45 CCCCOCOCCN 34a_100000210304_100011995733 [1,1,0,0,0,0|1,0,1]=4 6911 B9R0.45 CCCCOCSCCC 62a_100000210303_100011995733 [1,1,0,0,0,0|2,0,0]=4 6912 B9R0.45 CCCCOCSCCC 62a_100011995733_100000210303 [1,1,0,0,0,0|2,0,0]=4 6913 B9R0.45 CCCCSCCNCC 2230a_100025743550_100000210202 [1,1,0,0,0,0|1,0,1]=4 6914 B9R0.45 CCCCSCCOCC 34a_200000230436_100000210202 [1,1,0,0,0,0|0,0,1]=3 6915 B9R0.45 CCCCSCCOCC 62a_100000210147_100000210210 [1,1,0,0,0,0|0,0,1]=3 6916 B9R0.45 CCCCSCCOCC 62a_100000210211_100011215890 [1,1,0,0,0,0|0,0,1]=3 6917 B9R0.45 CCCCSCCOCC 7a_200000230436_100000210202 [1,1,0,0,0,0|0,0,1]=3 6918 B9R0.45 CCCCSCCOCF 34a_200000230436_100015361967 [1,1,0,0,0,0|1,0,1]=4 6919 B9R0.45 CCCCSCCOCF 7a_200000230436_100015361967 [1,1,0,0,0,0|1,0,1]=4 6920 B9R0.45 CCCCSCCSCC 62a_100000210211_100000757381 [1,1,0,0,0,0|0,1,1]=4 6921 B9R0.45 CCCCSCCSCC 62a_100000757381_100000210210 [1,1,0,0,0,0|0,1,1]=4 6922 B9R0.45 CCCNCCCCCO 2230a_100000762737_100000210303 [1,1,0,0,0,0|2,0,0]=4 6923 B9R0.45 CCCNCCCCCO 34a_100000762737_100000210303 [1,1,0,0,0,0|2,0,0]=4 6924 B9R0.45 CCCNCCCOCC 2230a_100000210961_100000210303 [1,1,0,0,0,0|0,0,1]=3 6925 B9R0.45 CCCNCCCOCC 34a_100000210961_100000210303 [1,1,0,0,0,0|0,0,1]=3 6926 B9R0.45 CCCNCCOCCC 2230a_100161115042_100000210303 [1,1,0,0,0,0|1,0,1]=4 6927 B9R0.45 CCCNCCOCCC 34a_100161115042_100000210303 [1,1,0,0,0,0|1,0,1]=4 6928 B9R0.45 CCCNCCOCCO 2230a_100000211614_100000210303 [1,1,0,0,0,0|1,0,1]=4 6929 B9R0.45 CCCNCCOCCO 34a_100000211614_100000210303 [1,1,0,0,0,0|1,0,1]=4 6930 B9R0.45 CCCNCCSCCC 2230a_100020603323_100000210303 [1,1,0,0,0,0|2,0,0]=4 6931 B9R0.45 CCCOCCCCCBr 34a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6932 B9R0.45 CCCOCCCCCBr 7a_100000746331_100000210303 [1,1,0,0,0,0|1,0,1]=4 6933 B9R0.45 CCCOCCCCCCl 34a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 6934 B9R0.45 CCCOCCCCCCl 7a_100000746330_100000210303 [1,1,0,0,0,0|1,0,1]=4 6935 B9R0.45 CCCOCCCCCF 34a_100000210258_100000729378 [1,1,0,0,0,0|1,0,1]=4 6936 B9R0.45 CCCOCCCCCI 34a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 6937 B9R0.45 CCCOCCCCCI 7a_200012148887_100000210303 [1,1,0,0,0,0|1,0,1]=4 6938 B9R0.45 CCCOCCCCCN 34a_100000762737_100000210303 [1,1,0,0,0,0|1,0,1]=4 6939 B9R0.45 CCCOCCCCCO 34a_100000210258_100000746330 [1,1,0,0,0,0|1,0,1]=4 6940 B9R0.45 CCCOCCCCOC 34a_100000210258_100000755781 [1,1,0,0,0,0|1,0,1]=4 6941 B9R0.45 CCCOCCCCOC 34a_100000740925_100000210303 [1,1,0,0,0,0|1,0,1]=4 6942 B9R0.45 CCCOCCCCSC 34a_100011217163_100000210303 [1,1,0,0,0,0|1,0,1]=4 6943 B9R0.45 CCCOCCCCSC 7a_100011217163_100000210303 [1,1,0,0,0,0|1,0,1]=4 6944 B9R0.45 CCCOCCCNCC 2230a_100011217757_100000210202 [1,1,0,0,0,0|1,0,1]=4 6945 B9R0.45 CCCOCCCNCC 34a_100011217757_100000210202 [1,1,0,0,0,0|1,0,1]=4 6946 B9R0.45 CCCOCCCOCC 34a_100000210258_100012232248 [1,1,0,0,0,0|0,0,1]=3 6947 B9R0.45 CCCOCCCOCC 34a_100000757476_100000210303 [1,1,0,0,0,0|0,0,1]=3 6948 B9R0.45 CCCOCCCOCC 7a_100000757476_100000210303 [1,1,0,0,0,0|0,0,1]=3 6949 B9R0.45 CCCOCCCSCC 34a_100011216438_100000210303 [1,1,0,0,0,0|0,1,1]=4 6950 B9R0.45 CCCOCCCSCC 7a_100011216438_100000210303 [1,1,0,0,0,0|0,1,1]=4 6951 B9R0.45 CCCOCCOCCBr 34a_100000211926_100011215938 [1,1,0,0,0,0|1,0,1]=4 6952 B9R0.45 CCCOCCOCCBr 34a_100000692535_100000210303 [1,1,0,0,0,0|1,0,1]=4 6953 B9R0.45 CCCOCCOCCBr 7a_100000692535_100000210303 [1,1,0,0,0,0|1,0,1]=4 6954 B9R0.45 CCCOCCOCCC 34a_100000210258_100011215938 [1,1,0,0,0,0|1,0,1]=4 6955 B9R0.45 CCCOCCOCCC 34a_100000752267_100000210303 [1,1,0,0,0,0|1,0,1]=4 6956 B9R0.45 CCCOCCOCCC 7a_100000752267_100000210303 [1,1,0,0,0,0|1,0,1]=4 6957 B9R0.45 CCCOCCOCCCl 34a_100011215305_100000210303 [1,1,0,0,0,0|1,0,1]=4 6958 B9R0.45 CCCOCCOCCCl 7a_100011215305_100000210303 [1,1,0,0,0,0|1,0,1]=4 6959 B9R0.45 CCCOCCOCCF 34a_100000752267_100011217306 [1,1,0,0,0,0|1,0,1]=4 6960 B9R0.45 CCCOCCOCCF 34a_200015357709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6961 B9R0.45 CCCOCCOCCF 7a_100000752267_100011217306 [1,1,0,0,0,0|1,0,1]=4 6962 B9R0.45 CCCOCCOCCF 7a_200015357709_100000210303 [1,1,0,0,0,0|1,0,1]=4 6963 B9R0.45 CCCOCCOCCI 34a_100012149058_100000210303 [1,1,0,0,0,0|1,0,1]=4 6964 B9R0.45 CCCOCCOCCI 7a_100012149058_100000210303 [1,1,0,0,0,0|1,0,1]=4 6965 B9R0.45 CCCOCCOCCN 34a_100000210304_100011215938 [1,1,0,0,0,0|1,0,1]=4 6966 B9R0.45 CCCOCCOCCN 34a_100000211614_100000210303 [1,1,0,0,0,0|1,0,1]=4 6967 B9R0.45 CCCOCCOCCO 34a_100000210258_100000692535 [1,1,0,0,0,0|1,0,1]=4 6968 B9R0.45 CCCOCCOCCO 34a_100000752267_100000211926 [1,1,0,0,0,0|1,0,1]=4 6969 B9R0.45 CCCOCCOCCO 7a_100000752267_100000211926 [1,1,0,0,0,0|1,0,1]=4 6970 B9R0.45 CCCOCCOCSC 34a_100000752267_100011218213 [1,1,0,0,0,0|1,0,1]=4 6971 B9R0.45 CCCOCCSCCC 34a_200000230433_100000210303 [1,1,0,0,0,0|1,0,1]=4 6972 B9R0.45 CCCOCCSCCC 62a_100000210303_100011215938 [1,1,0,0,0,0|1,0,1]=4 6973 B9R0.45 CCCOCCSCCC 62a_100011215938_100000210303 [1,1,0,0,0,0|1,0,1]=4 6974 B9R0.45 CCCOCCSCCC 7a_200000230433_100000210303 [1,1,0,0,0,0|1,0,1]=4 6975 B9R0.45 CCCSCCCCCF 62a_100000210303_100000729378 [1,1,0,0,0,0|2,0,0]=4 6976 B9R0.45 CCCSCCCCCF 62a_100000729378_100000210303 [1,1,0,0,0,0|2,0,0]=4 6977 B9R0.45 CCCSCCCCCO 62a_100000210303_100000746330 [1,1,0,0,0,0|2,0,0]=4 6978 B9R0.45 CCCSCCCCCO 62a_100000746330_100000210303 [1,1,0,0,0,0|2,0,0]=4 6979 B9R0.45 CCCSCCCCOC 62a_100000210303_100000730899 [1,1,0,0,0,0|2,0,0]=4 6980 B9R0.45 CCCSCCCCOC 62a_100000730899_100000210303 [1,1,0,0,0,0|2,0,0]=4 6981 B9R0.45 CCCSCCCOCC 62a_100000210303_100012232248 [1,1,0,0,0,0|0,0,1]=3 6982 B9R0.45 CCCSCCCOCC 62a_100012232248_100000210303 [1,1,0,0,0,0|0,0,1]=3 6983 B9R0.45 CCCSCCOCCF 34a_200000230433_100011217306 [1,1,0,0,0,0|1,0,1]=4 6984 B9R0.45 CCCSCCOCCF 7a_200000230433_100011217306 [1,1,0,0,0,0|1,0,1]=4 6985 B9R0.45 CCCSCCOCCO 34a_200000230433_100000211926 [1,1,0,0,0,0|1,0,1]=4 6986 B9R0.45 CCCSCCOCCO 62a_100000210303_100011215305 [1,1,0,0,0,0|1,0,1]=4 6987 B9R0.45 CCCSCCOCCO 62a_100011215305_100000210303 [1,1,0,0,0,0|1,0,1]=4 6988 B9R0.45 CCCSCCOCCO 7a_200000230433_100000211926 [1,1,0,0,0,0|1,0,1]=4 6989 B9R0.45 CCCSCCOCSC 34a_200000230433_100011218213 [1,1,0,0,0,0|1,0,1]=4 6990 B9R0.45 CCNCCCCCCF 2230a_100015525214_100015922095 [1,1,0,0,0,0|1,0,1]=4 6991 B9R0.45 CCNCCCCCCO 2230a_100000686447_100000210202 [1,1,0,0,0,0|1,0,1]=4 6992 B9R0.45 CCNCCCCCCO 2230a_100015525214_100000766143 [1,1,0,0,0,0|1,0,1]=4 6993 B9R0.45 CCNCCCCCCO 34a_100000686447_100000210202 [1,1,0,0,0,0|1,0,1]=4 6994 B9R0.45 CCNCCCCCOC 2230a_100000747528_100000210202 [1,1,0,0,0,0|1,0,1]=4 6995 B9R0.45 CCNCCCCCOC 34a_100000747528_100000210202 [1,1,0,0,0,0|1,0,1]=4 6996 B9R0.45 CCNN=CCCCCO 4a_100000756455_100000031955 [1,1,0,0,0,0|2,0,0]=4 6997 B9R0.45 CCOCCCCCCBr 34a_100011215345_100000210202 [1,1,0,0,0,0|0,0,1]=3 6998 B9R0.45 CCOCCCCCCBr 7a_100011215345_100000210202 [1,1,0,0,0,0|0,0,1]=3 6999 B9R0.45 CCOCCCCCCCl 34a_100000766143_100000210202 [1,1,0,0,0,0|0,0,1]=3 7000 B9R0.45 CCOCCCCCCCl 7a_100000766143_100000210202 [1,1,0,0,0,0|0,0,1]=3 7001 B9R0.45 CCOCCCCCCF 34a_100000732779_100000210202 [1,1,0,0,0,0|0,0,1]=3 7002 B9R0.45 CCOCCCCCCF 34a_100121572206_100015922095 [1,1,0,0,0,0|0,0,1]=3 7003 B9R0.45 CCOCCCCCCF 7a_100000732779_100000210202 [1,1,0,0,0,0|0,0,1]=3 7004 B9R0.45 CCOCCCCCCN 34a_100000686447_100000210202 [1,1,0,0,0,0|0,0,1]=3 7005 B9R0.45 CCOCCCCCCO 34a_100121572206_100000766143 [1,1,0,0,0,0|0,0,1]=3 7006 B9R0.45 CCOCCCCCNC 34a_100000722520_100000210202 [1,1,0,0,0,0|0,0,1]=3 7007 B9R0.45 CCOCCCNCCF 2230a_100000210961_100011217306 [1,1,0,0,0,0|1,0,1]=4 7008 B9R0.45 CCOCCCNCCF 34a_100000210961_100011217306 [1,1,0,0,0,0|1,0,1]=4 7009 B9R0.45 CCOCCCNCCF 34a_100000724931_100012232248 [1,1,0,0,0,0|1,0,1]=4 7010 B9R0.45 CCOCCCNCCO 2230a_100000210961_100000211926 [1,1,0,0,0,0|1,0,1]=4 7011 B9R0.45 CCOCCCNCCO 2230a_100016997473_100012232248 [1,1,0,0,0,0|1,0,1]=4 7012 B9R0.45 CCOCCCNCCO 34a_100000210961_100000211926 [1,1,0,0,0,0|1,0,1]=4 7013 B9R0.45 CCOCCCNCCO 34a_100016990907_100012232248 [1,1,0,0,0,0|1,0,1]=4 7014 B9R0.45 CCOCCCNCOC 2230a_100000210961_100000766300 [1,1,0,0,0,0|1,0,1]=4 7015 B9R0.45 CCOCCCNCSC 2230a_100000210961_100011218213 [1,1,0,0,0,0|1,0,1]=4 7016 B9R0.45 CCOCCCNCSC 34a_100000210961_100011218213 [1,1,0,0,0,0|1,0,1]=4 7017 B9R0.45 CCOCCCOCCBr 34a_100000211926_100012232248 [1,1,0,0,0,0|1,0,1]=4 7018 B9R0.45 CCOCCCOCCF 34a_100000757476_100011217306 [1,1,0,0,0,0|1,0,1]=4 7019 B9R0.45 CCOCCCOCCF 7a_100000757476_100011217306 [1,1,0,0,0,0|1,0,1]=4 7020 B9R0.45 CCOCCCOCCN 34a_100000210304_100012232248 [1,1,0,0,0,0|1,0,1]=4 7021 B9R0.45 CCOCCCOCCO 34a_100000757476_100000211926 [1,1,0,0,0,0|1,0,1]=4 7022 B9R0.45 CCOCCCOCCO 7a_100000757476_100000211926 [1,1,0,0,0,0|1,0,1]=4 7023 B9R0.45 CCOCCCOCSC 34a_100000757476_100011218213 [1,1,0,0,0,0|1,0,1]=4 7024 B9R0.45 CCOCCCSCCF 62a_100011217306_100012232248 [1,1,0,0,0,0|1,0,1]=4 7025 B9R0.45 CCOCCCSCCF 62a_100012232248_100011217306 [1,1,0,0,0,0|1,0,1]=4 7026 B9R0.45 CCOCCCSCCO 62a_100000211926_100012232248 [1,1,0,0,0,0|1,0,1]=4 7027 B9R0.45 CCOCCCSCCO 62a_100012232248_100000211926 [1,1,0,0,0,0|1,0,1]=4 7028 B9R0.45 CCOCCCSCOC 62a_100000766300_100012232248 [1,1,0,0,0,0|1,0,1]=4 7029 B9R0.45 CCOCCCSCOC 62a_100012232248_100000766300 [1,1,0,0,0,0|1,0,1]=4 7030 B9R0.45 CCOCCCSCSC 62a_100011218213_100012232248 [1,1,0,0,0,0|1,0,1]=4 7031 B9R0.45 CCOCCCSCSC 62a_100012232248_100011218213 [1,1,0,0,0,0|1,0,1]=4 7032 B9R0.45 CCOCCNCCCF 2230a_100015189416_100011215890 [1,1,0,0,0,0|1,0,1]=4 7033 B9R0.45 CCOCCNCCCF 2230a_102516460346_100011934791 [1,1,0,0,0,0|1,0,1]=4 7034 B9R0.45 CCOCCNCCCF 34a_100015189416_100000210147 [1,1,0,0,0,0|1,0,1]=4 7035 B9R0.45 CCOCCNCCCF 34a_102516460346_100011934791 [1,1,0,0,0,0|1,0,1]=4 7036 B9R0.45 CCOCCNCCCO 2230a_102516460346_100000230001 [1,1,0,0,0,0|1,0,1]=4 7037 B9R0.45 CCOCCNCCCO 34a_102516460346_100000230001 [1,1,0,0,0,0|1,0,1]=4 7038 B9R0.45 CCOCCNCCOC 2230a_100000209980_100011215890 [1,1,0,0,0,0|1,0,1]=4 7039 B9R0.45 CCOCCNCCOC 2230a_102516460346_100011201679 [1,1,0,0,0,0|1,0,1]=4 7040 B9R0.45 CCOCCNCCOC 34a_102516460346_100011201679 [1,1,0,0,0,0|1,0,1]=4 7041 B9R0.45 CCOCCNCCSC 2230a_100020590264_100011215890 [1,1,0,0,0,0|1,0,1]=4 7042 B9R0.45 CCOCCNCCSC 2230a_102516460346_100000751147 [1,1,0,0,0,0|1,0,1]=4 7043 B9R0.45 CCOCCNCCSC 34a_102516460346_100000212216 [1,1,0,0,0,0|1,0,1]=4 7044 B9R0.45 CCOCCOCCCBr 34a_100011217188_100000210147 [1,1,0,0,0,0|1,0,1]=4 7045 B9R0.45 CCOCCOCCCCl 34a_100000230001_100000210147 [1,1,0,0,0,0|1,0,1]=4 7046 B9R0.45 CCOCCOCCCF 34a_100000210136_100011934791 [1,1,0,0,0,0|1,0,1]=4 7047 B9R0.45 CCOCCOCCCF 34a_100000759539_100000210147 [1,1,0,0,0,0|1,0,1]=4 7048 B9R0.45 CCOCCOCCCF 7a_100000210136_100011934791 [1,1,0,0,0,0|1,0,1]=4 7049 B9R0.45 CCOCCOCCCN 34a_100000182051_100000210147 [1,1,0,0,0,0|1,0,1]=4 7050 B9R0.45 CCOCCOCCCO 34a_100000210136_100000230001 [1,1,0,0,0,0|1,0,1]=4 7051 B9R0.45 CCOCCOCCCO 7a_100000210136_100011215043 [1,1,0,0,0,0|1,0,1]=4 7052 B9R0.45 CCOCCOCCNC 2230a_100102712874_200000210301 [1,1,0,0,0,0|1,0,1]=4 7053 B9R0.45 CCOCCOCCNC 2230a_106832991635_100011211534 [1,1,0,0,0,0|1,0,1]=4 7054 B9R0.45 CCOCCOCCNC 34a_100000228057_100000210202 [1,1,0,0,0,0|1,0,1]=4 7055 B9R0.45 CCOCCOCCNC 34a_100102657272_100011211534 [1,1,0,0,0,0|1,0,1]=4 7056 B9R0.45 CCOCCOCCNC 34a_100102712874_200000210301 [1,1,0,0,0,0|1,0,1]=4 7057 B9R0.45 CCOCCOCCNC 7a_106832991635_100011211534 [1,1,0,0,0,0|1,0,1]=4 7058 B9R0.45 CCOCCOCCN[13CH3] 2230a_100102712874_200025704644 [1,1,0,0,0,0|1,0,1]=4 7059 B9R0.45 CCOCCOCCN[13CH3] 34a_100102712874_200025704644 [1,1,0,0,0,0|1,0,1]=4 7060 B9R0.45 CCOCCOCCOC 34a_100000210136_100011201679 [1,1,0,0,0,0|1,0,1]=4 7061 B9R0.45 CCOCCOCCOC 34a_100000210237_100000210147 [1,1,0,0,0,0|1,0,1]=4 7062 B9R0.45 CCOCCOCCOC 34a_100000210240_200000210301 [1,1,0,0,0,0|1,0,1]=4 7063 B9R0.45 CCOCCOCCOC 34a_100011215163_100000210202 [1,1,0,0,0,0|1,0,1]=4 7064 B9R0.45 CCOCCOCCOC 34a_100121572206_100000695917 [1,1,0,0,0,0|1,0,1]=4 7065 B9R0.45 CCOCCOCCOC 34a_100138415774_100011211534 [1,1,0,0,0,0|1,0,1]=4 7066 B9R0.45 CCOCCOCCOC 7a_100000210136_100000233755 [1,1,0,0,0,0|1,0,1]=4 7067 B9R0.45 CCOCCOCCOC 7a_100000210240_200000210301 [1,1,0,0,0,0|1,0,1]=4 7068 B9R0.45 CCOCCOCCOC 7a_100011215163_100000210202 [1,1,0,0,0,0|1,0,1]=4 7069 B9R0.45 CCOCCOCCO[13CH3] 34a_100000210240_200025704644 [1,1,0,0,0,0|1,0,1]=4 7070 B9R0.45 CCOCCOCCO[13CH3] 7a_100000210240_200025704644 [1,1,0,0,0,0|1,0,1]=4 7071 B9R0.45 CCOCCOCCSC 34a_100000210136_100000212216 [1,1,0,0,0,0|1,0,1]=4 7072 B9R0.45 CCOCCOCCSC 34a_100000230434_100000210147 [1,1,0,0,0,0|1,0,1]=4 7073 B9R0.45 CCOCCOCCSC 62a_100011211534_200000210301 [1,1,0,0,0,0|1,0,1]=4 7074 B9R0.45 CCOCCOCCSC 62a_200000210301_100011211534 [1,1,0,0,0,0|1,0,1]=4 7075 B9R0.45 CCOCCOCCSC 7a_100000210136_100000212216 [1,1,0,0,0,0|1,0,1]=4 7076 B9R0.45 CCOCCOCCSC 7a_100000230434_100011215890 [1,1,0,0,0,0|1,0,1]=4 7077 B9R0.45 CCOCCOCCS[13CH3] 62a_100011211534_200025704644 [1,1,0,0,0,0|1,0,1]=4 7078 B9R0.45 CCOCCOCCS[13CH3] 62a_200025704644_100011211534 [1,1,0,0,0,0|1,0,1]=4 7079 B9R0.45 CCOCCSCCCF 62a_100000210147_100011934791 [1,1,0,0,0,0|1,0,1]=4 7080 B9R0.45 CCOCCSCCCF 62a_100011934791_100011215890 [1,1,0,0,0,0|1,0,1]=4 7081 B9R0.45 CCOCCSCCCO 62a_100000210147_100011215043 [1,1,0,0,0,0|1,0,1]=4 7082 B9R0.45 CCOCCSCCCO 62a_100011215043_100011215890 [1,1,0,0,0,0|1,0,1]=4 7083 B9R0.45 CCOCCSCCOC 62a_100000210147_100000233755 [1,1,0,0,0,0|1,0,1]=4 7084 B9R0.45 CCOCCSCCOC 62a_100000233755_100011215890 [1,1,0,0,0,0|1,0,1]=4 7085 B9R0.45 CCOCCSCCSC 62a_100000210147_100000751147 [1,1,0,0,0,0|1,0,1]=4 7086 B9R0.45 CCOCCSCCSC 62a_100000212216_100011215890 [1,1,0,0,0,0|1,0,1]=4 7087 B9R0.45 CCOCCSCOCC 62a_100000210147_100000739092 [1,1,0,0,0,0|1,0,1]=4 7088 B9R0.45 CCOCCSCOCC 62a_100000739092_100011215890 [1,1,0,0,0,0|1,0,1]=4 7089 B9R0.45 CCOCSCCCCF 62a_100000729493_100000739092 [1,1,0,0,0,0|1,0,1]=4 7090 B9R0.45 CCOCSCCCCF 62a_100000739092_100000729493 [1,1,0,0,0,0|1,0,1]=4 7091 B9R0.45 CCOCSCCCCO 62a_100000210776_100000739092 [1,1,0,0,0,0|1,0,1]=4 7092 B9R0.45 CCOCSCCCCO 62a_100000739092_100000210776 [1,1,0,0,0,0|1,0,1]=4 7093 B9R0.45 CCOCSCCCOC 62a_100000709357_100000739092 [1,1,0,0,0,0|1,0,1]=4 7094 B9R0.45 CCOCSCCCOC 62a_100000739092_100000709357 [1,1,0,0,0,0|1,0,1]=4 7095 B9R0.45 CCOCSCCSCC 62a_100000739092_100000757381 [1,1,0,0,0,0|1,0,1]=4 7096 B9R0.45 CCOCSCCSCC 62a_100000757381_100000739092 [1,1,0,0,0,0|1,0,1]=4 7097 B9R0.45 CCSCCCCCCF 62a_100000210202_100015922095 [1,1,0,0,0,0|0,1,1]=4 7098 B9R0.45 CCSCCCCCCF 62a_100015922095_100000210202 [1,1,0,0,0,0|0,1,1]=4 7099 B9R0.45 CCSCCCCCCO 62a_100000210202_100000766143 [1,1,0,0,0,0|0,1,1]=4 7100 B9R0.45 CCSCCCCCCO 62a_100000766143_100000210202 [1,1,0,0,0,0|0,1,1]=4 7101 B9R0.45 CCSCCCOCCF 34a_100011216438_100011217306 [1,1,0,0,0,0|1,0,1]=4 7102 B9R0.45 CCSCCCOCCF 7a_100011216438_100011217306 [1,1,0,0,0,0|1,0,1]=4 7103 B9R0.45 CCSCCCOCCO 34a_100011216438_100000211926 [1,1,0,0,0,0|1,0,1]=4 7104 B9R0.45 CCSCCCOCCO 7a_100011216438_100000211926 [1,1,0,0,0,0|1,0,1]=4 7105 B9R0.45 CCSCCCOCSC 34a_100011216438_100011218213 [1,1,0,0,0,0|1,0,1]=4 7106 B9R0.45 CNCCCCCOCF 34a_100000722520_100015361967 [1,1,0,0,0,0|1,0,1]=4 7107 B9R0.45 COCCCCOCCBr 34a_100000211926_100000755781 [1,1,0,0,0,0|1,0,1]=4 7108 B9R0.45 COCCCCOCCF 34a_100000740925_100011217306 [1,1,0,0,0,0|1,0,1]=4 7109 B9R0.45 COCCCCOCCN 34a_100000210304_100000755781 [1,1,0,0,0,0|1,0,1]=4 7110 B9R0.45 COCCCCOCCO 34a_100000740925_100000211926 [1,1,0,0,0,0|1,0,1]=4 7111 B9R0.45 COCCCCOCSC 34a_100000740925_100011218213 [1,1,0,0,0,0|1,0,1]=4 7112 B9R0.45 CSCCCCOCCF 34a_100011217163_100011217306 [1,1,0,0,0,0|1,0,1]=4 7113 B9R0.45 CSCCCCOCCF 7a_100011217163_100011217306 [1,1,0,0,0,0|1,0,1]=4 7114 B9R0.45 CSCCCCOCCO 34a_100011217163_100000211926 [1,1,0,0,0,0|1,0,1]=4 7115 B9R0.45 CSCCCCOCCO 7a_100011217163_100000211926 [1,1,0,0,0,0|1,0,1]=4 7116 B9R0.45 CSCCCCOCSC 34a_100011217163_100011218213 [1,1,0,0,0,0|1,0,1]=4 7117 B9R0.45 CSCOCCCCCBr 34a_100000746331_100011218213 [1,1,0,0,0,0|1,0,1]=4 7118 B9R0.45 CSCOCCCCCCl 34a_100000746330_100011218213 [1,1,0,0,0,0|1,0,1]=4 7119 B9R0.45 CSCOCCCCCI 34a_200012148887_100011218213 [1,1,0,0,0,0|1,0,1]=4 7120 B9R0.45 CSCOCCCCCN 34a_100000762737_100011218213 [1,1,0,0,0,0|1,0,1]=4 7121 B9R0.45 FCCCCCCOCF 34a_100000732779_100015361967 [1,1,0,0,0,0|1,0,1]=4 7122 B9R0.45 FCCCCCCOCF 7a_100000732779_100015361967 [1,1,0,0,0,0|1,0,1]=4 7123 B9R0.45 FCCCCCOCCBr 34a_100000211926_100000729378 [1,1,0,0,0,0|1,0,1]=4 7124 B9R0.45 FCCOCCCCCBr 34a_100000746331_100011217306 [1,1,0,0,0,0|1,0,1]=4 7125 B9R0.45 FCCOCCCCCBr 7a_100000746331_100011217306 [1,1,0,0,0,0|1,0,1]=4 7126 B9R0.45 FCCOCCCCCCl 34a_100000746330_100011217306 [1,1,0,0,0,0|1,0,1]=4 7127 B9R0.45 FCCOCCCCCCl 7a_100000746330_100011217306 [1,1,0,0,0,0|1,0,1]=4 7128 B9R0.45 FCCOCCCCCI 34a_200012148887_100011217306 [1,1,0,0,0,0|1,0,1]=4 7129 B9R0.45 FCCOCCCCCI 7a_200012148887_100011217306 [1,1,0,0,0,0|1,0,1]=4 7130 B9R0.45 FCOCCCCCCBr 34a_100011215345_100015361967 [1,1,0,0,0,0|1,0,1]=4 7131 B9R0.45 FCOCCCCCCBr 7a_100011215345_100015361967 [1,1,0,0,0,0|1,0,1]=4 7132 B9R0.45 FCOCCCCCCCl 34a_100000766143_100015361967 [1,1,0,0,0,0|1,0,1]=4 7133 B9R0.45 FCOCCCCCCCl 7a_100000766143_100015361967 [1,1,0,0,0,0|1,0,1]=4 7134 B9R0.45 NCCCCCCOCF 34a_100000686447_100015361967 [1,1,0,0,0,0|1,0,1]=4 7135 B9R0.45 NCCCCCOCCF 34a_100000762737_100011217306 [1,1,0,0,0,0|1,0,1]=4 7136 B9R0.45 NCCCCCOCCO 34a_100000762737_100000211926 [1,1,0,0,0,0|1,0,1]=4 7137 B9R0.45 NCCOCCCCCF 34a_100000210304_100000729378 [1,1,0,0,0,0|1,0,1]=4 7138 B9R0.45 NCCOCCCCCO 34a_100000210304_100000746330 [1,1,0,0,0,0|1,0,1]=4 7139 B9R0.45 OCCCCCOCCBr 34a_100000211926_100000746330 [1,1,0,0,0,0|1,0,1]=4 7140 B9R0.45 OCCOCCCCCBr 34a_100000746331_100000211926 [1,1,0,0,0,0|1,0,1]=4 7141 B9R0.45 OCCOCCCCCBr 7a_100000746331_100000211926 [1,1,0,0,0,0|1,0,1]=4 7142 B9R0.45 OCCOCCCCCCl 34a_100000746330_100000211926 [1,1,0,0,0,0|1,0,1]=4 7143 B9R0.45 OCCOCCCCCCl 7a_100000746330_100000211926 [1,1,0,0,0,0|1,0,1]=4 7144 B9R0.45 OCCOCCCCCI 34a_200012148887_100000211926 [1,1,0,0,0,0|1,0,1]=4 7145 B9R0.45 OCCOCCCCCI 7a_200012148887_100000211926 [1,1,0,0,0,0|1,0,1]=4 7146 B9R0.46 CC/C=C\CCC(=O)CC 1458a_100000210414_100015370543 [1,1,0,0,0,0|1,0,1]=4 7147 B9R0.46 CC/C=C\CCN(C)CC 2230a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 7148 B9R0.46 CC/C=C\CCN(C)CC 269982a_100000225621_100015370543 [1,1,0,0,0,0|2,0,0]=4 7149 B9R0.46 CC/C=C\CNC(C)CC 2230a_100000209981_100103147603 [1,1,0,0,0,0|2,0,0]=4 7150 B9R0.46 CC/C=C\COC(C)CC 34a_100016268518_100011215416 [1,1,0,0,0,0|2,0,0]=4 7151 B9R0.46 CC/C=C\COC(C)CC 7a_100000210228_100103147603 [1,1,0,0,0,0|2,0,0]=4 7152 B9R0.46 CC/C=C\CSC(C)CC 62a_100000758301_100103147603 [1,1,0,0,0,0|2,0,0]=4 7153 B9R0.46 CC/C=C\CSC(C)CC 62a_100103147603_100000758301 [1,1,0,0,0,0|2,0,0]=4 7154 B9R0.46 CCC(C)CCCOCF 7a_100011216074_100015361967 [1,1,0,0,0,0|1,0,1]=4 7155 B9R0.46 CCCCC=CC(=O)CC 1458a_100016266645_100000210202 [1,1,0,0,0,0|1,0,1]=4 7156 B9R0.46 CCCCCCC(=O)CC 1458a_100000210414_100000210757 [1,1,0,0,0,0|1,0,1]=4 7157 B9R0.46 CCCCCCC(=O)CC 1458a_100102632555_100000210202 [1,1,0,0,0,0|1,0,1]=4 7158 B9R0.46 CCCCCCN(C)CC 2230a_100000225621_100000210314 [1,1,0,0,0,0|1,0,1]=4 7159 B9R0.46 CCCCCCN(C)CC 2230a_106256046315_100000210202 [1,1,0,0,0,0|1,0,1]=4 7160 B9R0.46 CCCCCCN(C)CC 269982a_100000225621_100000210757 [1,1,0,0,0,0|1,0,1]=4 7161 B9R0.46 CCCCCCN(C)CC 269982a_106256046315_100000204670 [1,1,0,0,0,0|1,0,1]=4 7162 B9R0.46 CCCCCNC(=O)CC 11a_100000209983_100000210414 [1,1,0,0,0,0|2,0,0]=4 7163 B9R0.46 CCCCCNC(=O)CC 1626a_100000209983_100000210414 [1,1,0,0,0,0|2,0,0]=4 7164 B9R0.46 CCCCCNC(=O)CC 240690a_100000209983_100000210414 [1,1,0,0,0,0|2,0,0]=4 7165 B9R0.46 CCCCCNC(=O)CC 527a_100000209983_100000210414 [1,1,0,0,0,0|2,0,0]=4 7166 B9R0.46 CCCCCNC(C)CC 2230a_100000209981_100000210326 [1,1,0,0,0,0|2,0,0]=4 7167 B9R0.46 CCCCCNC(C)CC 2230a_100000209983_100000758301 [1,1,0,0,0,0|2,0,0]=4 7168 B9R0.46 CCCCCOC(C)CC 34a_100000210253_100011215416 [1,1,0,0,0,0|2,0,0]=4 7169 B9R0.46 CCCCCOC(C)CC 7a_100000210228_100000210326 [1,1,0,0,0,0|2,0,0]=4 7170 B9R0.46 CCCCCOC(C)CC 7a_100000210253_100000758301 [1,1,0,0,0,0|2,0,0]=4 7171 B9R0.46 CCCCCSC(C)CC 62a_100000210326_100000758301 [1,1,0,0,0,0|2,0,0]=4 7172 B9R0.46 CCCCCSC(C)CC 62a_100000758301_100000210326 [1,1,0,0,0,0|2,0,0]=4 7173 B9R0.46 CCCNCCC(C)CC 2230a_100020591266_100000210303 [1,1,0,0,0,0|2,0,0]=4 7174 B9R0.46 CCCOCCC(C)CC 7a_100011215188_100000210303 [1,1,0,0,0,0|2,0,0]=4 7175 B9R0.46 CCOCCCC(=O)CC 1458a_100000210414_100012232248 [1,1,0,0,0,0|0,0,2]=4 7176 B9R0.46 CCOCCCC(C)CC 7a_100011216074_100000210202 [1,1,0,0,0,0|0,0,1]=3 7177 B9R0.46 CCOCCCN(C)CC 2230a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 7178 B9R0.46 CCOCCCN(C)CC 269982a_100000225621_100012232248 [1,1,0,0,0,0|1,0,1]=4 7179 B9R0.46 CCOCCC[C@@H](C)CN 34a_100160569302_100000210202 [1,1,0,0,0,0|1,0,1]=4 7180 B9R0.46 CCOCCNC(C)CC 2230a_100000209981_100011215890 [1,1,0,0,0,0|1,0,1]=4 7181 B9R0.46 CCOCCNC(C)CC 2230a_102516460346_100000758301 [1,1,0,0,0,0|1,0,1]=4 7182 B9R0.46 CCOCCNC(C)CC 34a_102516460346_100011215416 [1,1,0,0,0,0|1,0,1]=4 7183 B9R0.46 CCOCCOC(C)CC 34a_100000210136_100011215416 [1,1,0,0,0,0|1,0,1]=4 7184 B9R0.46 CCOCCOC(C)CC 7a_100000210136_100000758301 [1,1,0,0,0,0|1,0,1]=4 7185 B9R0.46 CCOCCOC(C)CC 7a_100000210228_100011215890 [1,1,0,0,0,0|1,0,1]=4 7186 B9R0.46 CCOCCSC(C)CC 62a_100000210147_100000758301 [1,1,0,0,0,0|1,0,1]=4 7187 B9R0.46 CCOCCSC(C)CC 62a_100000758301_100011215890 [1,1,0,0,0,0|1,0,1]=4 7188 B9R0.46 CCOCSCC(C)CC 62a_100000739092_100000748023 [1,1,0,0,0,0|1,0,1]=4 7189 B9R0.46 CCOCSCC(C)CC 62a_100000748023_100000739092 [1,1,0,0,0,0|1,0,1]=4 7190 B9R0.46 CCOCSCC(O)CC 62a_100000739092_100011218378 [1,1,0,0,0,0|1,0,1]=4 7191 B9R0.46 CCOCSCC(O)CC 62a_100011218378_100000739092 [1,1,0,0,0,0|1,0,1]=4 7192 B9R0.46 CCOCSC[C@@H](C)CC 62a_100000739092_100009816398 [1,1,0,0,0,0|1,0,1]=4 7193 B9R0.46 CCOCSC[C@@H](C)CC 62a_100009816398_100000739092 [1,1,0,0,0,0|1,0,1]=4 7194 B9R0.1 C#CC(=O)CCCC(C)C 1458a_100000211873_100011214892 [1,1,0,0,0,0|0,0,2]=4 7195 B9R0.1 C#CC(=O)CCCC(C)O 1458a_100000211873_200000718107 [1,1,0,0,0,0|0,0,2]=4 7196 B9R0.1 C=C(C)COCC(=O)CC 34a_100000725409_100000748629 [1,1,0,0,0,0|1,0,1]=4 7197 B9R0.1 C=C(C)COCC(=O)OC 34a_100000210245_100000747449 [1,1,0,0,0,0|1,0,1]=4 7198 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000747405_100000211660 [1,1,0,0,0,0|1,0,1]=4 7199 B9R0.1 C=C(C)CSCC(=O)CC 62a_100000748629_100000747405 [1,1,0,0,0,0|1,0,1]=4 7200 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000747449_100000211660 [1,1,0,0,0,0|1,0,1]=4 7201 B9R0.1 C=C(C)CSCC(=O)OC 62a_100000748629_100000747449 [1,1,0,0,0,0|1,0,1]=4 7202 B9R0.1 C=CC(=O)CCCC(C)C 1458a_100000185746_100011214892 [1,1,0,0,0,0|0,0,2]=4 7203 B9R0.1 C=CC(=O)CCCC(C)O 1458a_100000185746_200000718107 [1,1,0,0,0,0|0,0,2]=4 7204 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,1,0,0,0,0|1,0,1]=4 7205 B9R0.1 CC(C)CCCC(=O)CF 1458a_100011216857_100015361967 [1,1,0,0,0,0|1,0,0]=3 7206 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,1,0,0,0,0|1,0,0]=3 7207 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,1,0,0,0,0|1,0,1]=4 7208 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,1,0,0,0,0|1,0,1]=4 7209 B9R0.1 CC(C)CCNC(=O)CO 240690a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 7210 B9R0.1 CC(C)CCNC(=O)CO 527a_100000210545_100000210174 [1,1,0,0,0,0|2,0,0]=4 7211 B9R0.1 CC(C)COCC(=O)CF 1458a_100011223364_100015361967 [1,1,0,0,0,0|2,0,0]=4 7212 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,1,0,0,0,0|2,0,0]=4 7213 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,1,0,0,0,0|2,0,0]=4 7214 B9R0.1 CC(O)CCCC(=O)CO 1458a_100000210174_200000718107 [1,1,0,0,0,0|1,0,0]=3 7215 B9R0.1 CC(O)CCNC(=O)CO 240690a_200000755665_100000210174 [1,1,0,0,0,0|2,0,0]=4 7216 B9R0.1 CC(O)CCNC(=O)CO 527a_200000755665_100000210174 [1,1,0,0,0,0|2,0,0]=4 7217 B9R0.1 CCC(=O)C/C=C/C(C)C 1458a_100016292215_100000210202 [1,1,0,0,0,0|0,0,2]=4 7218 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,1,0,0,0,0|0,0,2]=4 7219 B9R0.1 CCC(=O)CCCC(=O)C 1458a_100000210414_100011215641 [1,1,0,0,0,0|0,0,1]=3 7220 B9R0.1 CCC(=O)CCCC(=O)N 1458a_100000210414_100102525003 [1,1,0,0,0,0|1,0,1]=4 7221 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,1,0,0,0,0|0,0,0]=2 7222 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,1,0,0,0,0|0,0,0]=2 7223 B9R0.1 CCC(=O)CCCC(C)O 1458a_100000210414_200000718107 [1,1,0,0,0,0|0,0,0]=2 7224 B9R0.1 CCC(=O)CCCN(C)C 1458a_100000210414_100000695564 [1,1,0,0,0,0|1,0,0]=3 7225 B9R0.1 CCC(=O)CCC[N+](=O)[O-] 1458a_100016109205_100000210202 [1,1,0,0,0,0|2,0,0]=4 7226 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000183196_100000210202 [1,1,0,0,0,0|1,0,1]=4 7227 B9R0.1 CCC(=O)CCNC(=O)C 1458a_100000210414_100000189650 [1,1,0,0,0,0|1,0,1]=4 7228 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|1,0,1]=4 7229 B9R0.1 CCC(=O)CCOC(C)C 1458a_100000210414_100000211751 [1,1,0,0,0,0|1,0,0]=3 7230 B9R0.1 CCC(=O)CCSC(=O)C 1458a_100000048949_100000210202 [1,1,0,0,0,0|1,0,1]=4 7231 B9R0.1 CCC(=O)CCSC(C)C 1458a_100000210414_100000730970 [1,1,0,0,0,0|1,0,0]=3 7232 B9R0.1 CCC(=O)COCC(C)C 1458a_100011223364_100000210202 [1,1,0,0,0,0|1,0,0]=3 7233 B9R0.1 CCC(=O)COCC(C)C 34a_100000725409_100000210624 [1,1,0,0,0,0|1,0,0]=3 7234 B9R0.1 CCC(=O)COCC(C)O 34a_100000725409_100011218427 [1,1,0,0,0,0|1,0,0]=3 7235 B9R0.1 CCC(=O)COCC(F)F 34a_100000725409_100011934356 [1,1,0,0,0,0|2,0,0]=4 7236 B9R0.1 CCC(=O)COC[C@@H](C)O 34a_100000725409_100009817552 [1,1,0,0,0,0|1,0,0]=3 7237 B9R0.1 CCC(=O)CSCC(C)C 62a_100000210624_100000747405 [1,1,0,0,0,0|1,0,0]=3 7238 B9R0.1 CCC(=O)CSCC(C)C 62a_100000747405_100000210760 [1,1,0,0,0,0|1,0,0]=3 7239 B9R0.1 CCC(=O)CSCC(C)O 62a_100000747405_100011218427 [1,1,0,0,0,0|1,0,0]=3 7240 B9R0.1 CCC(=O)CSCC(C)O 62a_100011218427_100000747405 [1,1,0,0,0,0|1,0,0]=3 7241 B9R0.1 CCC(=O)CSCC(F)F 62a_100000747405_100011934356 [1,1,0,0,0,0|2,0,0]=4 7242 B9R0.1 CCC(=O)CSCC(F)F 62a_100011934356_100000747405 [1,1,0,0,0,0|2,0,0]=4 7243 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100000747405_100009817552 [1,1,0,0,0,0|1,0,0]=3 7244 B9R0.1 CCC(=O)CSC[C@@H](C)O 62a_100009817552_100000747405 [1,1,0,0,0,0|1,0,0]=3 7245 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 7246 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 7247 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 7248 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,1,0,0,0,0|1,0,0]=3 7249 B9R0.1 CCC(=O)NCCC(C)O 240690a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 7250 B9R0.1 CCC(=O)NCCC(C)O 527a_200000755665_100000210414 [1,1,0,0,0,0|1,0,0]=3 7251 B9R0.1 CCC(=O)NCCN(C)C 240690a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 7252 B9R0.1 CCC(=O)NCCN(C)C 527a_100000210585_100000210414 [1,1,0,0,0,0|2,0,0]=4 7253 B9R0.1 CCC(=O)NNCC(C)C 22a_100000696102_100000210414 [1,1,0,0,0,0|2,0,0]=4 7254 B9R0.1 CCC(=O)NNCC(C)O 22a_200000730056_100000210414 [1,1,0,0,0,0|2,0,0]=4 7255 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 7256 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,1,0,0,0,0|2,0,0]=4 7257 B9R0.1 CCN(C)CCCC(C)O 2230a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 7258 B9R0.1 CCN(C)CCCC(C)O 269982a_100000225621_200000718107 [1,1,0,0,0,0|2,0,0]=4 7259 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,1,0,0,0,0|2,0,0]=4 7260 B9R0.1 CNC(=O)CCCC(=O)C 1458a_100000070787_100000741757 [1,1,0,0,0,0|1,0,1]=4 7261 B9R0.1 CNC(=O)CCCC(C)C 11a_106832991635_100011216857 [1,1,0,0,0,0|1,0,0]=3 7262 B9R0.1 CNC(=O)CCCC(C)C 1626a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 7263 B9R0.1 CNC(=O)CCCC(C)C 240690a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 7264 B9R0.1 CNC(=O)CCCC(C)C 527a_100102657272_100011216857 [1,1,0,0,0,0|1,0,0]=3 7265 B9R0.1 CNC(=O)CCCC(C)O 1626a_100102657272_100000761597 [1,1,0,0,0,0|1,0,0]=3 7266 B9R0.1 CNC(=O)CCCC(C)O 527a_100102657272_100000761597 [1,1,0,0,0,0|1,0,0]=3 7267 B9R0.1 CNC(=O)CCCN(C)C 11a_106832991635_100000740757 [1,1,0,0,0,0|2,0,0]=4 7268 B9R0.1 CNC(=O)CCCN(C)C 2230a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 7269 B9R0.1 CNC(=O)CCCN(C)C 240690a_100102657272_100000740757 [1,1,0,0,0,0|2,0,0]=4 7270 B9R0.1 CNC(=O)CCCN(C)C 269982a_100102631434_100000741757 [1,1,0,0,0,0|2,0,0]=4 7271 B9R0.1 CNC(=O)CCNC(C)C 2230a_100000738227_100000210206 [1,1,0,0,0,0|2,0,0]=4 7272 B9R0.1 CNC(=O)CCNC(C)C 2230a_100138425928_100000737683 [1,1,0,0,0,0|2,0,0]=4 7273 B9R0.1 CNC(=O)CCNC(C)C 34a_100000738227_100000210206 [1,1,0,0,0,0|2,0,0]=4 7274 B9R0.1 CNC(=O)CCNC(C)C 34a_100138425928_100012179268 [1,1,0,0,0,0|2,0,0]=4 7275 B9R0.1 CNC(=O)CCOC(C)C 34a_100000212225_100012179268 [1,1,0,0,0,0|2,0,0]=4 7276 B9R0.1 CNC(=O)CCOC(C)C 34a_100000754576_100000210206 [1,1,0,0,0,0|2,0,0]=4 7277 B9R0.1 CNC(=O)CCSC(C)C 62a_100000210206_100000737683 [1,1,0,0,0,0|2,0,0]=4 7278 B9R0.1 CNC(=O)CCSC(C)C 62a_100000737683_100000210206 [1,1,0,0,0,0|2,0,0]=4 7279 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000210953_100000183359 [1,1,0,0,0,0|2,0,0]=4 7280 B9R0.1 CNC(=O)CNCC(C)C 2230a_100000693194_100000210760 [1,1,0,0,0,0|2,0,0]=4 7281 B9R0.1 CNC(=O)CNCC(C)C 270004a_100000693194_100000210432 [1,1,0,0,0,0|2,0,0]=4 7282 B9R0.1 CNC(=O)CNCC(C)C 34a_100000210953_100000183359 [1,1,0,0,0,0|2,0,0]=4 7283 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000210904_100000183359 [1,1,0,0,0,0|2,0,0]=4 7284 B9R0.1 CNC(=O)CNCC(C)O 2230a_100000693194_100011218427 [1,1,0,0,0,0|2,0,0]=4 7285 B9R0.1 CNC(=O)CNCC(C)O 34a_100000210904_100000183359 [1,1,0,0,0,0|2,0,0]=4 7286 B9R0.1 CNC(=O)CNC[C@@H](C)O 2230a_100000693194_100009817552 [1,1,0,0,0,0|2,0,0]=4 7287 B9R0.1 CNC(=O)COCC(C)Br 34a_100012180447_100000183359 [1,1,0,0,0,0|2,0,0]=4 7288 B9R0.1 CNC(=O)COCC(C)C 11a_106832991635_100011223364 [1,1,0,0,0,0|2,0,0]=4 7289 B9R0.1 CNC(=O)COCC(C)C 1626a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 7290 B9R0.1 CNC(=O)COCC(C)C 240690a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 7291 B9R0.1 CNC(=O)COCC(C)C 34a_100000210257_100000183359 [1,1,0,0,0,0|2,0,0]=4 7292 B9R0.1 CNC(=O)COCC(C)C 34a_100000750040_100000210624 [1,1,0,0,0,0|2,0,0]=4 7293 B9R0.1 CNC(=O)COCC(C)C 527a_100102657272_100011223364 [1,1,0,0,0,0|2,0,0]=4 7294 B9R0.1 CNC(=O)COCC(C)F 34a_100015925927_100000183359 [1,1,0,0,0,0|2,0,0]=4 7295 B9R0.1 CNC(=O)COCC(C)O 34a_100000750040_100011218427 [1,1,0,0,0,0|2,0,0]=4 7296 B9R0.1 CNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183359 [1,1,0,0,0,0|2,0,0]=4 7297 B9R0.1 CNC(=O)COC[C@@H](C)N 34a_100000737577_100000183359 [1,1,0,0,0,0|2,0,0]=4 7298 B9R0.1 CNC(=O)COC[C@@H](C)O 34a_100000750040_100009817552 [1,1,0,0,0,0|2,0,0]=4 7299 B9R0.1 CNC(=O)CSCC(C)C 62a_100000183359_100000210760 [1,1,0,0,0,0|2,0,0]=4 7300 B9R0.1 CNC(=O)CSCC(C)C 62a_100000210624_100000183359 [1,1,0,0,0,0|2,0,0]=4 7301 B9R0.1 CNC(=O)CSCC(C)O 62a_100000183359_100011218427 [1,1,0,0,0,0|2,0,0]=4 7302 B9R0.1 CNC(=O)CSCC(C)O 62a_100011218427_100000183359 [1,1,0,0,0,0|2,0,0]=4 7303 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100000183359_100009817552 [1,1,0,0,0,0|2,0,0]=4 7304 B9R0.1 CNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183359 [1,1,0,0,0,0|2,0,0]=4 7305 B9R0.1 CNC(=O)NCCC(C)C 2708a_100000210545_106832991635 [1,1,0,0,0,0|2,0,0]=4 7306 B9R0.1 CNC(=O)NCCC(C)C 2708a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 7307 B9R0.1 CNC(=O)NCCC(C)C 273464a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 7308 B9R0.1 CNC(=O)NCCC(C)C 273464a_100102657272_100000210545 [1,1,0,0,0,0|2,0,0]=4 7309 B9R0.1 CNC(=O)NCCC(C)C 512a_100000210545_100102657272 [1,1,0,0,0,0|2,0,0]=4 7310 B9R0.1 CNC(=O)NCCC(C)C 512a_106832991638_100000210545 [1,1,0,0,0,0|2,0,0]=4 7311 B9R0.1 CNC(=O)NCCC(C)O 2708a_100102657272_200000755665 [1,1,0,0,0,0|2,0,0]=4 7312 B9R0.1 CNC(=O)NCCC(C)O 273464a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 7313 B9R0.1 CNC(=O)NCCC(C)O 512a_106832991638_200000755665 [1,1,0,0,0,0|2,0,0]=4 7314 B9R0.1 CNC(=O)NCCC(C)O 512a_200000755665_100102657272 [1,1,0,0,0,0|2,0,0]=4 7315 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000070787_100011218270 [1,1,0,0,0,0|0,0,1]=3 7316 B9R0.1 COC(=O)CCCC(=O)C 1458a_100000239890_200000210301 [1,1,0,0,0,0|0,0,1]=3 7317 B9R0.1 COC(=O)CCCC(=O)[13CH3] 1458a_100000239890_200025704644 [1,1,0,0,0,0|0,0,1]=3 7318 B9R0.1 COC(=O)CCCN(C)C 2230a_100102631434_100011218270 [1,1,0,0,0,0|1,0,0]=3 7319 B9R0.1 COC(=O)CCCN(C)C 269982a_100000739225_200000210301 [1,1,0,0,0,0|1,0,0]=3 7320 B9R0.1 COC(=O)CCCN(C)C 269982a_100102631434_100011218270 [1,1,0,0,0,0|1,0,0]=3 7321 B9R0.1 COC(=O)CCCN(C)[13CH3] 269982a_100000739225_200025704644 [1,1,0,0,0,0|1,0,0]=3 7322 B9R0.1 COC(=O)CCNC(=O)C 188690a_100000683876_100015343762 [1,1,0,0,0,0|1,0,1]=4 7323 B9R0.1 COC(=O)CCNC(C)C 2230a_100138425928_100000204255 [1,1,0,0,0,0|1,0,0]=3 7324 B9R0.1 COC(=O)CCNC(C)C 34a_100138425928_100000742370 [1,1,0,0,0,0|1,0,0]=3 7325 B9R0.1 COC(=O)CCOC(C)C 34a_100000212225_100000742370 [1,1,0,0,0,0|1,0,0]=3 7326 B9R0.1 COC(=O)CCSC(C)C 62a_100000204255_100000210206 [1,1,0,0,0,0|1,0,0]=3 7327 B9R0.1 COC(=O)CCSC(C)C 62a_100000210206_100000204255 [1,1,0,0,0,0|1,0,0]=3 7328 B9R0.1 COC(=O)CNCC(C)C 2230a_100000210953_100000747449 [1,1,0,0,0,0|1,0,0]=3 7329 B9R0.1 COC(=O)CNCC(C)C 34a_100000210953_100000747449 [1,1,0,0,0,0|1,0,0]=3 7330 B9R0.1 COC(=O)CNCC(C)O 2230a_100000210904_100000747449 [1,1,0,0,0,0|1,0,0]=3 7331 B9R0.1 COC(=O)CNCC(C)O 34a_100000210904_100000747449 [1,1,0,0,0,0|1,0,0]=3 7332 B9R0.1 COC(=O)CNCC(F)F 34a_100000765723_100000747449 [1,1,0,0,0,0|2,0,0]=4 7333 B9R0.1 COC(=O)COCC(=O)C 34a_100000211253_100000747449 [1,1,0,0,0,0|1,0,1]=4 7334 B9R0.1 COC(=O)COCC(C)Br 34a_100012180447_100000747449 [1,1,0,0,0,0|1,0,0]=3 7335 B9R0.1 COC(=O)COCC(C)C 34a_100000210257_100000747449 [1,1,0,0,0,0|1,0,0]=3 7336 B9R0.1 COC(=O)COCC(C)F 34a_100015925927_100000747449 [1,1,0,0,0,0|1,0,0]=3 7337 B9R0.1 COC(=O)COCC(F)F 34a_100000743014_100000747449 [1,1,0,0,0,0|2,0,0]=4 7338 B9R0.1 COC(=O)COC[C@@H](C)Cl 34a_100016084084_100000747449 [1,1,0,0,0,0|1,0,0]=3 7339 B9R0.1 COC(=O)COC[C@@H](C)N 34a_100000737577_100000747449 [1,1,0,0,0,0|1,0,0]=3 7340 B9R0.1 COC(=O)CSCC(=O)C 1458a_100000191316_200000210301 [1,1,0,0,0,0|1,0,1]=4 7341 B9R0.1 COC(=O)CSCC(=O)[13CH3] 1458a_100000191316_200025704644 [1,1,0,0,0,0|1,0,1]=4 7342 B9R0.1 COC(=O)CSCC(C)C 62a_100000210624_100000747449 [1,1,0,0,0,0|1,0,0]=3 7343 B9R0.1 COC(=O)CSCC(C)C 62a_100000747449_100000210760 [1,1,0,0,0,0|1,0,0]=3 7344 B9R0.1 COC(=O)CSCC(C)O 62a_100000747449_100011218427 [1,1,0,0,0,0|1,0,0]=3 7345 B9R0.1 COC(=O)CSCC(C)O 62a_100011218427_100000747449 [1,1,0,0,0,0|1,0,0]=3 7346 B9R0.1 COC(=O)CSCC(F)F 62a_100000747449_100011934356 [1,1,0,0,0,0|2,0,0]=4 7347 B9R0.1 COC(=O)CSCC(F)F 62a_100011934356_100000747449 [1,1,0,0,0,0|2,0,0]=4 7348 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100000747449_100009817552 [1,1,0,0,0,0|1,0,0]=3 7349 B9R0.1 COC(=O)CSC[C@@H](C)O 62a_100009817552_100000747449 [1,1,0,0,0,0|1,0,0]=3 7350 B9R0.1 COC(=O)OCSC(C)C 62a_100000210206_100000139417 [1,1,0,0,0,0|2,0,0]=4 7351 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,1,0,0,0,0|1,0,1]=4 7352 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,1,0,0,0,0|1,0,1]=4 7353 B9R0.20 CCCCCS(=O)(=O)NC 270084a_100102657272_100000753860 [1,1,0,0,0,0|2,0,0]=4 7354 B9R0.20 CCCCCS(=O)(=O)NC 274078a_100102657272_100000753860 [1,1,0,0,0,0|2,0,0]=4 7355 B9R0.20 CCCCNS(=O)(=O)CC 270084a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 7356 B9R0.20 CCCCNS(=O)(=O)CC 274078a_100000102301_100000211323 [1,1,0,0,0,0|2,0,0]=4 7357 B9R0.20 CCCCNS(=O)(=O)CC 40a_100000102301_100000053943 [1,1,0,0,0,0|2,0,0]=4 7358 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100000751051_100000210202 [1,1,0,0,0,0|2,0,0]=4 7359 B9R0.20 CCNCCS(=O)(=O)CC 2230a_100015525214_100000756660 [1,1,0,0,0,0|2,0,0]=4 7360 B9R0.20 CCNCCS(=O)(=O)CC 34a_100000751051_100000210202 [1,1,0,0,0,0|2,0,0]=4 7361 B9R0.20 CCOCCS(=O)(=O)CC 34a_100121572206_100000756660 [1,1,0,0,0,0|2,0,0]=4 7362 B9R0.20 CCOCCS(=O)(=O)CC 34a_200011216379_100000210202 [1,1,0,0,0,0|2,0,0]=4 7363 B9R0.20 CCOCCS(=O)(=O)CC 7a_200011216379_100000210202 [1,1,0,0,0,0|2,0,0]=4 7364 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000210202_100000756660 [1,1,0,0,0,0|2,0,0]=4 7365 B9R0.20 CCSCCS(=O)(=O)CC 62a_100000756660_100000210202 [1,1,0,0,0,0|2,0,0]=4 7366 B9R0.24 CCC(=O)CCC(=O)NC 1458a_100011309844_100000210202 [1,1,0,0,0,0|1,0,1]=4 7367 B9R0.24 CCC(=O)CCC(=O)OC 1458a_100000187943_100000210202 [1,1,0,0,0,0|0,0,1]=3 7368 B9R0.24 CCC(=O)CCC(C)CC 1458a_100000701222_100000210202 [1,1,0,0,0,0|0,0,0]=2 7369 B9R0.24 CCC(=O)CCN(C)CC 1458a_100000755305_100000210202 [1,1,0,0,0,0|1,0,0]=3 7370 B9R0.24 CCC(=O)CCS(=O)CC 1458a_100011387550_100000210202 [1,1,0,0,0,0|1,0,0]=3 7371 B9R0.24 CCC(=O)CNC(=O)CC 1458a_100000194589_100000210202 [1,1,0,0,0,0|1,0,1]=4 7372 B9R0.24 CCC(=O)CNC(=O)OC 1458a_100000215747_100000210202 [1,1,0,0,0,0|1,0,1]=4 7373 B9R0.24 CCC(=O)COC(C)CC 34a_100000725409_100011215416 [1,1,0,0,0,0|1,0,0]=3 7374 B9R0.24 CCC(=O)COC(C)CC 7a_100000210228_100000747405 [1,1,0,0,0,0|1,0,0]=3 7375 B9R0.24 CCC(=O)COC(C)CF 7a_100016041109_100000747405 [1,1,0,0,0,0|2,0,0]=4 7376 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [1,1,0,0,0,0|2,0,0]=4 7377 B9R0.24 CCC(=O)CSC(C)CC 62a_100000747405_100000758301 [1,1,0,0,0,0|1,0,0]=3 7378 B9R0.24 CCC(=O)CSC(C)CC 62a_100000758301_100000747405 [1,1,0,0,0,0|1,0,0]=3 7379 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [1,1,0,0,0,0|2,0,0]=4 7380 B9R0.24 CCC(=O)CSC(C)OC 62a_100000747405_100009879195 [1,1,0,0,0,0|2,0,0]=4 7381 B9R0.24 CCC(=O)CSC(C)OC 62a_100009879195_100000747405 [1,1,0,0,0,0|2,0,0]=4 7382 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [1,1,0,0,0,0|2,0,0]=4 7383 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [1,1,0,0,0,0|2,0,0]=4 7384 B9R0.24 CCC(=O)NCC(=O)OC 188690a_100000185156_100000210414 [1,1,0,0,0,0|1,0,1]=4 7385 B9R0.24 CCC(=O)NCC(C)CC 11a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 7386 B9R0.24 CCC(=O)NCC(C)CC 1626a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 7387 B9R0.24 CCC(=O)NCC(C)CC 240690a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 7388 B9R0.24 CCC(=O)NCC(C)CC 527a_100020588543_100000210414 [1,1,0,0,0,0|1,0,0]=3 7389 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 7390 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [1,1,0,0,0,0|2,0,0]=4 7391 B9R0.24 CCC(=O)NCC(O)CC 11a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 7392 B9R0.24 CCC(=O)NCC(O)CC 240690a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 7393 B9R0.24 CCC(=O)NCC(O)CC 527a_100011218483_100000210414 [1,1,0,0,0,0|1,0,0]=3 7394 B9R0.24 CCC(=O)NC[C@@H](C)OC 11a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 7395 B9R0.24 CCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 7396 B9R0.24 CCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 7397 B9R0.24 CCC(=O)NC[C@@H](C)OC 527a_100020591295_100000210414 [1,1,0,0,0,0|2,0,0]=4 7398 B9R0.24 CCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 7399 B9R0.24 CCC(=O)NC[C@@H](F)CO 527a_100015665980_100000210414 [1,1,0,0,0,0|2,0,0]=4 7400 B9R0.24 CCC(=O)NC[C@H](O)CO 240690a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 7401 B9R0.24 CCC(=O)NC[C@H](O)CO 527a_100020644852_100000210414 [1,1,0,0,0,0|2,0,0]=4 7402 B9R0.24 CCC(=O)NNC(C)CC 22a_100000718999_100000210414 [1,1,0,0,0,0|2,0,0]=4 7403 B9R0.24 CCC(C)CCC(=O)CF 1458a_100000701222_100015361967 [1,1,0,0,0,0|1,0,0]=3 7404 B9R0.24 CCC(C)CCC(=O)NC 11a_106832991635_100000701222 [1,1,0,0,0,0|1,0,0]=3 7405 B9R0.24 CCC(C)CCC(=O)NC 1626a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 7406 B9R0.24 CCC(C)CCC(=O)NC 240690a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 7407 B9R0.24 CCC(C)CCC(=O)NC 527a_100102657272_100000701222 [1,1,0,0,0,0|1,0,0]=3 7408 B9R0.24 CCC(C)CCC(C)OC 7a_200011216552_200000210301 [1,1,0,0,0,0|1,0,1]=4 7409 B9R0.24 CCC(C)CCC(C)O[13CH3] 7a_200011216552_200025704644 [1,1,0,0,0,0|1,0,1]=4 7410 B9R0.24 CCC(C)CNC(=O)CO 240690a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 7411 B9R0.24 CCC(C)CNC(=O)CO 527a_100020588543_100000210174 [1,1,0,0,0,0|2,0,0]=4 7412 B9R0.24 CCC(C)CNC(=O)NC 2708a_100020588543_106832991635 [1,1,0,0,0,0|2,0,0]=4 7413 B9R0.24 CCC(C)CNC(=O)NC 2708a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 7414 B9R0.24 CCC(C)CNC(=O)NC 273464a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 7415 B9R0.24 CCC(C)CNC(=O)NC 273464a_100102657272_100020588543 [1,1,0,0,0,0|2,0,0]=4 7416 B9R0.24 CCC(C)CNC(=O)NC 512a_100020588543_100102657272 [1,1,0,0,0,0|2,0,0]=4 7417 B9R0.24 CCC(C)CNC(=O)NC 512a_106832991638_100020588543 [1,1,0,0,0,0|2,0,0]=4 7418 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000209981_100000183359 [1,1,0,0,0,0|2,0,0]=4 7419 B9R0.24 CCC(C)NCC(=O)NC 2230a_100000693194_100000758301 [1,1,0,0,0,0|2,0,0]=4 7420 B9R0.24 CCC(C)NCC(=O)OC 2230a_100000209981_100000747449 [1,1,0,0,0,0|1,0,0]=3 7421 B9R0.24 CCC(C)OCC(=O)NC 34a_100000750040_100011215416 [1,1,0,0,0,0|2,0,0]=4 7422 B9R0.24 CCC(C)OCC(=O)NC 7a_100000210228_100000183359 [1,1,0,0,0,0|2,0,0]=4 7423 B9R0.24 CCC(C)OCC(=O)OC 7a_100000210228_100000747449 [1,1,0,0,0,0|1,0,0]=3 7424 B9R0.24 CCC(C)SCC(=O)NC 62a_100000183359_100000758301 [1,1,0,0,0,0|2,0,0]=4 7425 B9R0.24 CCC(C)SCC(=O)NC 62a_100000758301_100000183359 [1,1,0,0,0,0|2,0,0]=4 7426 B9R0.24 CCC(C)SCC(=O)OC 62a_100000747449_100000758301 [1,1,0,0,0,0|1,0,0]=3 7427 B9R0.24 CCC(C)SCC(=O)OC 62a_100000758301_100000747449 [1,1,0,0,0,0|1,0,0]=3 7428 B9R0.24 CCC(O)CCC(=O)NC 1626a_100102657272_203496584001 [1,1,0,0,0,0|1,0,0]=3 7429 B9R0.24 CCC(O)CCC(=O)NC 240690a_100102657272_203496584001 [1,1,0,0,0,0|1,0,0]=3 7430 B9R0.24 CCC(O)CNC(=O)CO 240690a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 7431 B9R0.24 CCC(O)CNC(=O)CO 527a_100011218483_100000210174 [1,1,0,0,0,0|2,0,0]=4 7432 B9R0.24 CCC(O)CNC(=O)NC 2708a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 7433 B9R0.24 CCC(O)CNC(=O)NC 273464a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 7434 B9R0.24 CCC(O)CNC(=O)NC 273464a_100102657272_100011218483 [1,1,0,0,0,0|2,0,0]=4 7435 B9R0.24 CCC(O)CNC(=O)NC 512a_100011218483_100102657272 [1,1,0,0,0,0|2,0,0]=4 7436 B9R0.24 CCN(C)CCC(=O)CF 1458a_100000755305_100015361967 [1,1,0,0,0,0|2,0,0]=4 7437 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 7438 B9R0.24 CCN(C)CCC(=O)NC 2230a_100000750875_100000210202 [1,1,0,0,0,0|2,0,0]=4 7439 B9R0.24 CCN(C)CCC(=O)NC 240690a_100102657272_100000755305 [1,1,0,0,0,0|2,0,0]=4 7440 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000225621_100000737683 [1,1,0,0,0,0|2,0,0]=4 7441 B9R0.24 CCN(C)CCC(=O)NC 269982a_100000750875_100000204670 [1,1,0,0,0,0|2,0,0]=4 7442 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000225621_100000204255 [1,1,0,0,0,0|1,0,0]=3 7443 B9R0.24 CCN(C)CCC(=O)OC 2230a_100000229097_200000210301 [1,1,0,0,0,0|1,0,0]=3 7444 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000225621_100000204255 [1,1,0,0,0,0|1,0,0]=3 7445 B9R0.24 CCN(C)CCC(=O)OC 269982a_100000229097_200000210301 [1,1,0,0,0,0|1,0,0]=3 7446 B9R0.24 CCN(C)CCC(=O)OC 269982a_100025711912_100000204670 [1,1,0,0,0,0|1,0,0]=3 7447 B9R0.24 CCN([13CH3])CCC(=O)OC 2230a_100000229097_200025704644 [1,1,0,0,0,0|1,0,0]=3 7448 B9R0.24 CCN([13CH3])CCC(=O)OC 269982a_100000229097_200025704644 [1,1,0,0,0,0|1,0,0]=3 7449 B9R0.24 CCS(=O)CCC(=O)CF 1458a_100011387550_100015361967 [1,1,0,0,0,0|2,0,0]=4 7450 B9R0.24 CCS(=O)CCC(=O)NC 11a_106832991635_100011387550 [1,1,0,0,0,0|2,0,0]=4 7451 B9R0.24 CCS(=O)CCC(=O)NC 1626a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 7452 B9R0.24 CCS(=O)CCC(=O)NC 240690a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 7453 B9R0.24 CCS(=O)CCC(=O)NC 527a_100102657272_100011387550 [1,1,0,0,0,0|2,0,0]=4 7454 B9R0.24 CNC(=O)CCC(=O)OC 11a_106832991635_100000187943 [1,1,0,0,0,0|1,0,1]=4 7455 B9R0.24 CNC(=O)CCC(=O)OC 1626a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 7456 B9R0.24 CNC(=O)CCC(=O)OC 240690a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 7457 B9R0.24 CNC(=O)CCC(=O)OC 527a_100102657272_100000187943 [1,1,0,0,0,0|1,0,1]=4 7458 B9R0.24 COC(=O)CCC(=O)CF 1458a_100000187943_100015361967 [1,1,0,0,0,0|1,0,1]=4 7459 B9R0.24 COC(=O)CCN(C)CF 269982a_100025711912_100015361967 [1,1,0,0,0,0|2,0,0]=4 7460 B9R0.24 COC(=O)CN[C@H](C)CO 2230a_100000737577_100000747449 [1,1,0,0,0,0|2,0,0]=4 7461 B9R0.24 COC(=O)COC(C)CF 34a_100016041109_100000747449 [1,1,0,0,0,0|2,0,0]=4 7462 B9R0.24 COC(=O)COC(C)CF 7a_100016041109_100000747449 [1,1,0,0,0,0|2,0,0]=4 7463 B9R0.24 COC(=O)COC(C)CN 34a_100000210904_100000747449 [1,1,0,0,0,0|2,0,0]=4 7464 B9R0.24 COC(=O)CSC(C)CO 62a_100012180447_100000747449 [1,1,0,0,0,0|2,0,0]=4 7465 B9R0.24 COC(=O)CSC(C)OC 62a_100000747449_100009879195 [1,1,0,0,0,0|2,0,0]=4 7466 B9R0.24 COC(=O)CSC(C)OC 62a_100009879195_100000747449 [1,1,0,0,0,0|2,0,0]=4 7467 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100000747449_100016084084 [1,1,0,0,0,0|2,0,0]=4 7468 B9R0.24 COC(=O)CS[C@H](C)CO 62a_100016084084_100000747449 [1,1,0,0,0,0|2,0,0]=4 7469 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [1,1,0,0,0,0|0,0,2]=4 7470 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [1,1,0,0,0,0|0,0,2]=4 7471 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [1,1,0,0,0,0|0,0,2]=4 7472 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [1,1,0,0,0,0|0,0,2]=4 7473 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [1,1,0,0,0,0|0,0,2]=4 7474 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [1,1,0,0,0,0|0,0,1]=3 7475 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [1,1,0,0,0,0|1,0,1]=4 7476 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [1,1,0,0,0,0|1,0,1]=4 7477 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [1,1,0,0,0,0|1,0,1]=4 7478 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [1,1,0,0,0,0|1,0,1]=4 7479 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [1,1,0,0,0,0|1,0,1]=4 7480 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 7481 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [1,1,0,0,0,0|1,0,1]=4 7482 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [1,1,0,0,0,0|0,0,2]=4 7483 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [1,1,0,0,0,0|0,0,2]=4 7484 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [1,1,0,0,0,0|0,0,2]=4 7485 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [1,1,0,0,0,0|0,0,2]=4 7486 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [1,1,0,0,0,0|0,0,2]=4 7487 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [1,1,0,0,0,0|1,0,1]=4 7488 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [1,1,0,0,0,0|1,0,1]=4 7489 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [1,1,0,0,0,0|1,0,0]=3 7490 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [1,1,0,0,0,0|1,0,0]=3 7491 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [1,1,0,0,0,0|1,0,0]=3 7492 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [1,1,0,0,0,0|2,0,0]=4 7493 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [1,1,0,0,0,0|2,0,0]=4 7494 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [1,1,0,0,0,0|2,0,0]=4 7495 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [1,1,0,0,0,0|2,0,0]=4 7496 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [1,1,0,0,0,0|2,0,0]=4 7497 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [1,1,0,0,0,0|2,0,0]=4 7498 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [1,1,0,0,0,0|2,0,0]=4 7499 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [1,1,0,0,0,0|2,0,0]=4 7500 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [1,1,0,0,0,0|2,0,0]=4 7501 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [1,1,0,0,0,0|2,0,0]=4 7502 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 7503 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 7504 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 7505 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [1,1,0,0,0,0|2,0,0]=4 7506 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 7507 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [1,1,0,0,0,0|2,0,0]=4 7508 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 7509 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [1,1,0,0,0,0|2,0,0]=4 7510 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [1,1,0,0,0,0|1,0,1]=4 7511 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [1,1,0,0,0,0|1,0,0]=3 7512 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [1,1,0,0,0,0|1,0,0]=3 7513 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 7514 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 7515 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 7516 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [1,1,0,0,0,0|2,0,0]=4 7517 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 7518 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [1,1,0,0,0,0|2,0,0]=4 7519 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [1,1,0,0,0,0|0,0,2]=4 7520 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [1,1,0,0,0,0|0,0,2]=4 7521 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [1,1,0,0,0,0|0,0,2]=4 7522 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [1,1,0,0,0,0|0,0,2]=4 7523 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [1,1,0,0,0,0|0,0,2]=4 7524 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [1,1,0,0,0,0|0,0,2]=4 7525 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [1,1,0,0,0,0|0,0,2]=4 7526 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [1,1,0,0,0,0|0,0,2]=4 7527 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [1,1,0,0,0,0|0,0,2]=4 7528 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [1,1,0,0,0,0|0,0,2]=4 7529 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [1,1,0,0,0,0|0,0,2]=4 7530 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [1,1,0,0,0,0|0,0,0]=2 7531 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [1,1,0,0,0,0|0,0,0]=2 7532 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [1,1,0,0,0,0|0,0,0]=2 7533 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [1,1,0,0,0,0|1,0,0]=3 7534 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 7535 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 7536 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 7537 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [1,1,0,0,0,0|1,0,0]=3 7538 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [1,1,0,0,0,0|0,0,0]=2 7539 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [1,1,0,0,0,0|0,0,0]=2 7540 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 7541 B9R0.47 CCCCCN(C)C(C)C 2230a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 7542 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223495_100000210206 [1,1,0,0,0,0|2,0,0]=4 7543 B9R0.47 CCCCCN(C)C(C)C 269982a_100000223497_200000210301 [1,1,0,0,0,0|2,0,0]=4 7544 B9R0.47 CCCCCN(C)C(C)C 269982a_200000211004_100000210215 [1,1,0,0,0,0|2,0,0]=4 7545 B9R0.47 CCCCCN([13CH3])C(C)C 2230a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 7546 B9R0.47 CCCCCN([13CH3])C(C)C 269982a_100000223497_200025704644 [1,1,0,0,0,0|2,0,0]=4 7547 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 7548 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 7549 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 7550 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [1,1,0,0,0,0|1,0,0]=3 7551 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 7552 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 7553 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 7554 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [1,1,0,0,0,0|1,0,0]=3 7555 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 7556 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 7557 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 7558 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [1,1,0,0,0,0|2,0,0]=4 7559 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [1,1,0,0,0,0|2,0,0]=4 7560 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [1,1,0,0,0,0|2,0,0]=4 7561 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [1,1,0,0,0,0|1,0,0]=3 7562 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 7563 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [1,1,0,0,0,0|1,0,0]=3 7564 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [1,1,0,0,0,0|2,0,0]=4 7565 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [1,1,0,0,0,0|2,0,0]=4 7566 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [1,1,0,0,0,0|2,0,0]=4 7567 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [1,1,0,0,0,0|2,0,0]=4 7568 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [1,1,0,0,0,0|2,0,0]=4 7569 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [1,1,0,0,0,0|1,0,1]=4 7570 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [1,1,0,0,0,0|1,0,0]=3 7571 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [1,1,0,0,0,0|1,0,0]=3 7572 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 7573 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 7574 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 7575 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [1,1,0,0,0,0|2,0,0]=4 7576 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [1,1,0,0,0,0|2,0,0]=4 7577 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [1,1,0,0,0,0|1,0,1]=4 7578 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [1,1,0,0,0,0|1,0,1]=4 7579 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [1,1,0,0,0,0|1,0,0]=3 7580 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [1,1,0,0,0,0|1,0,0]=3 7581 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [1,1,0,0,0,0|1,0,0]=3 7582 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 7583 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 7584 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 7585 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [1,1,0,0,0,0|2,0,0]=4 7586 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [1,1,0,0,0,0|2,0,0]=4 7587 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [1,1,0,0,0,0|2,0,0]=4 7588 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [1,1,0,0,0,0|2,0,0]=4 7589 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [1,1,0,0,0,0|2,0,0]=4 7590 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [1,1,0,0,0,0|1,0,0]=3 7591 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [1,1,0,0,0,0|1,0,0]=3 7592 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [1,1,0,0,0,0|1,0,0]=3 7593 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [1,1,0,0,0,0|2,0,0]=4 7594 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 7595 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 7596 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 7597 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [1,1,0,0,0,0|2,0,0]=4 7598 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [1,1,0,0,0,0|2,0,0]=4 7599 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [1,1,0,0,0,0|1,0,0]=3 7600 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [1,1,0,0,0,0|1,0,0]=3 7601 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [1,1,0,0,0,0|1,0,0]=3 7602 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [1,1,0,0,0,0|1,0,0]=3 7603 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [1,1,0,0,0,0|1,0,0]=3 7604 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [1,1,0,0,0,0|2,0,0]=4 7605 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 7606 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 7607 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 7608 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [1,1,0,0,0,0|2,0,0]=4 7609 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [1,1,0,0,0,0|2,0,0]=4 7610 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [1,1,0,0,0,0|2,0,0]=4 7611 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [1,1,0,0,0,0|1,0,0]=3 7612 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [1,1,0,0,0,0|1,0,0]=3 7613 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [1,1,0,0,0,0|2,0,0]=4 7614 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [1,1,0,0,0,0|2,0,0]=4 7615 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [1,1,0,0,0,0|2,0,0]=4 7616 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [1,1,0,0,0,0|2,0,0]=4 7617 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [1,1,0,0,0,0|2,0,0]=4 7618 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [1,1,0,0,0,0|2,0,0]=4 7619 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [1,1,0,0,0,0|2,0,0]=4 7620 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [1,1,0,0,0,0|2,0,0]=4 7621 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [1,1,0,0,0,0|2,0,0]=4 7622 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 7623 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [1,1,0,0,0,0|2,0,0]=4 7624 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [1,1,0,0,0,0|1,0,0]=3 7625 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [1,1,0,0,0,0|1,0,0]=3 7626 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [1,1,0,0,0,0|1,0,0]=3 7627 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [1,1,0,0,0,0|2,0,0]=4 7628 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 7629 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 7630 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 7631 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [1,1,0,0,0,0|2,0,0]=4 7632 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [1,1,0,0,0,0|1,0,0]=3 7633 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [1,1,0,0,0,0|1,0,0]=3 7634 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 7635 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 7636 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [1,1,0,0,0,0|2,0,0]=4 7637 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 7638 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 7639 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [1,1,0,0,0,0|2,0,0]=4 7640 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [1,1,0,0,0,0|2,0,0]=4 7641 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 7642 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [1,1,0,0,0,0|2,0,0]=4 7643 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [1,1,0,0,0,0|2,0,0]=4 7644 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [1,1,0,0,0,0|2,0,0]=4 7645 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [1,1,0,0,0,0|1,0,0]=3 7646 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 7647 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 7648 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 7649 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [1,1,0,0,0,0|2,0,0]=4 7650 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [1,1,0,0,0,0|2,0,0]=4 7651 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [1,1,0,0,0,0|2,0,0]=4 7652 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 7653 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 7654 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 7655 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [1,1,0,0,0,0|2,0,0]=4 7656 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 7657 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 7658 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 7659 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [1,1,0,0,0,0|2,0,0]=4 7660 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [1,1,0,0,0,0|2,0,0]=4 7661 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 7662 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [1,1,0,0,0,0|2,0,0]=4 7663 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [1,1,0,0,0,0|2,0,0]=4 7664 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [1,1,0,0,0,0|2,0,0]=4 7665 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [1,1,0,0,0,0|1,0,1]=4 7666 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [1,1,0,0,0,0|1,0,0]=3 7667 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [1,1,0,0,0,0|1,0,0]=3 7668 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [1,1,0,0,0,0|2,0,0]=4 7669 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [1,1,0,0,0,0|2,0,0]=4 7670 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [1,1,0,0,0,0|1,0,1]=4 7671 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [1,1,0,0,0,0|1,0,0]=3 7672 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [1,1,0,0,0,0|1,0,0]=3 7673 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 7674 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [1,1,0,0,0,0|2,0,0]=4 7675 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [1,1,0,0,0,0|2,0,0]=4 7676 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [1,1,0,0,0,0|2,0,0]=4 7677 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [1,1,0,0,0,0|2,0,0]=4 7678 B9R0.50 C#CC(CCCCC)OC 34a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 7679 B9R0.50 C#CC(CCCCC)OC 7a_100011216489_200000210301 [1,1,0,0,0,0|1,0,1]=4 7680 B9R0.50 C#CC(CCCCC)O[13CH3] 34a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 7681 B9R0.50 C#CC(CCCCC)O[13CH3] 7a_100011216489_200025704644 [1,1,0,0,0,0|1,0,1]=4 7682 B9R0.50 C=CC(CCCCC)OC 34a_100011216863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7683 B9R0.50 C=CC(CCCCC)OC 7a_100011216863_200000210301 [1,1,0,0,0,0|1,0,1]=4 7684 B9R0.50 C=CC(CCCCC)O[13CH3] 34a_100011216863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7685 B9R0.50 C=CC(CCCCC)O[13CH3] 7a_100011216863_200025704644 [1,1,0,0,0,0|1,0,1]=4 7686 B9R0.50 CCCCCC(CC)NC 270004a_106832991635_100011215316 [1,1,0,0,0,0|1,0,1]=4 7687 B9R0.50 CCCCCC(CC)OC 34a_100011215405_200000210301 [1,1,0,0,0,0|0,0,2]=4 7688 B9R0.50 CCCCCC(CC)OC 7a_100011215405_200000210301 [1,1,0,0,0,0|0,0,2]=4 7689 B9R0.50 CCCCCC(CC)O[13CH3] 34a_100011215405_200025704644 [1,1,0,0,0,0|0,0,2]=4 7690 B9R0.50 CCCCCC(CC)O[13CH3] 7a_100011215405_200025704644 [1,1,0,0,0,0|0,0,2]=4 7691 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [1,1,0,0,0,0|2,0,0]=4 7692 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [1,1,0,0,0,0|2,0,0]=4 7693 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [1,1,0,0,0,0|2,0,0]=4 7694 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000210554_100010269958 [0,2,0,0,0,0|1,0,1]=4 7695 B11R0.2 C#CCCCCC(=O)CC(C)C 1458a_100000696528_100000210624 [0,2,0,0,0,0|1,0,1]=4 7696 B11R0.2 C#CCCCCC(=O)CC(C)O 1458a_100000696528_100011218427 [0,2,0,0,0,0|1,0,1]=4 7697 B11R0.2 C#CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100010269958 [0,2,0,0,0,0|1,0,1]=4 7698 B11R0.2 C#CCCCCC(=O)NC(C)C 11a_100138425928_100000696528 [0,2,0,0,0,0|1,0,1]=4 7699 B11R0.2 C#CCCCCC(=O)NC(C)C 1626a_100138425928_100000696528 [0,2,0,0,0,0|1,0,1]=4 7700 B11R0.2 C#CCCCCC(=O)NC(C)C 240690a_100138425928_100000696528 [0,2,0,0,0,0|1,0,1]=4 7701 B11R0.2 C#CCCCCC(=O)NC(C)C 527a_100138425928_100000696528 [0,2,0,0,0,0|1,0,1]=4 7702 B11R0.2 C#CCCNCC(=O)OC(C)C 34a_100000755551_100011215430 [0,2,0,0,0,0|0,0,2]=4 7703 B11R0.2 C#CCCOCC(=O)OC(C)C 34a_100011215631_100011215430 [0,2,0,0,0,0|0,0,2]=4 7704 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100000688953_100011215430 [0,2,0,0,0,0|0,0,2]=4 7705 B11R0.2 C#CCCSCC(=O)OC(C)C 62a_100011215430_100000688953 [0,2,0,0,0,0|0,0,2]=4 7706 B11R0.2 C#CCSCCC(=O)OC(C)C 62a_100000038162_100000760027 [0,2,0,0,0,0|0,0,2]=4 7707 B11R0.2 C/C=C/COCC(=O)OC(C)C 34a_100016270725_100011215430 [0,2,0,0,0,0|0,0,2]=4 7708 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100011215430_100102629194 [0,2,0,0,0,0|0,0,2]=4 7709 B11R0.2 C/C=C/CSCC(=O)OC(C)C 62a_100102629194_100011215430 [0,2,0,0,0,0|0,0,2]=4 7710 B11R0.2 C=C(C)CC(=O)CCCCCC 1458a_100102632555_100000748629 [0,2,0,0,0,0|1,0,1]=4 7711 B11R0.2 C=C(C)CC(=O)CCCCCO 1458a_100102619762_100000748629 [0,2,0,0,0,0|1,0,1]=4 7712 B11R0.2 C=C(C)CC(=O)COCCCC 1458a_100000757543_100000748629 [0,2,0,0,0,0|1,0,1]=4 7713 B11R0.2 C=C(C)CC(=O)CSCCCC 1458a_100000191162_100000748629 [0,2,0,0,0,0|1,0,1]=4 7714 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100000210554_100011215482 [0,2,0,0,0,0|1,0,1]=4 7715 B11R0.2 C=CCCCCC(=O)CC(C)C 1458a_100011215552_100000210624 [0,2,0,0,0,0|1,0,1]=4 7716 B11R0.2 C=CCCCCC(=O)CC(C)O 1458a_100011215552_100011218427 [0,2,0,0,0,0|1,0,1]=4 7717 B11R0.2 C=CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215482 [0,2,0,0,0,0|1,0,1]=4 7718 B11R0.2 C=CCCCCC(=O)NC(C)C 11a_100138425928_100011215552 [0,2,0,0,0,0|1,0,1]=4 7719 B11R0.2 C=CCCCCC(=O)NC(C)C 1626a_100138425928_100011215552 [0,2,0,0,0,0|1,0,1]=4 7720 B11R0.2 C=CCCCCC(=O)NC(C)C 240690a_100138425928_100011215552 [0,2,0,0,0,0|1,0,1]=4 7721 B11R0.2 C=CCCCCC(=O)NC(C)C 527a_100138425928_100011215552 [0,2,0,0,0,0|1,0,1]=4 7722 B11R0.2 C=CCCNCC(=O)OC(C)C 2230a_100015191253_100011215430 [0,2,0,0,0,0|0,0,2]=4 7723 B11R0.2 C=CCCOCC(=O)OC(C)C 34a_100011205117_100011215430 [0,2,0,0,0,0|0,0,2]=4 7724 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100000754431_100011215430 [0,2,0,0,0,0|0,0,2]=4 7725 B11R0.2 C=CCCSCC(=O)OC(C)C 62a_100011215430_100000754431 [0,2,0,0,0,0|0,0,2]=4 7726 B11R0.2 C=CCNCCC(=O)OC(C)C 2230a_100020586998_100000760027 [0,2,0,0,0,0|0,0,2]=4 7727 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000210623_100000760027 [0,2,0,0,0,0|0,0,2]=4 7728 B11R0.2 C=CCSCCC(=O)OC(C)C 62a_100000760027_100000210623 [0,2,0,0,0,0|0,0,2]=4 7729 B11R0.2 CC#CCNCC(=O)OC(C)C 2230a_100000685387_100011215430 [0,2,0,0,0,0|0,0,2]=4 7730 B11R0.2 CC#CCNCC(=O)OC(C)C 34a_100000685387_100011215430 [0,2,0,0,0,0|0,0,2]=4 7731 B11R0.2 CC#CCOCC(=O)OC(C)C 34a_100000761923_100011215430 [0,2,0,0,0,0|0,0,2]=4 7732 B11R0.2 CC#CCSCC(=O)OC(C)C 62a_100000748600_100011215430 [0,2,0,0,0,0|0,0,2]=4 7733 B11R0.2 CC#CCSCC(=O)OC(C)C 62a_100011215430_100000748600 [0,2,0,0,0,0|0,0,2]=4 7734 B11R0.2 CC(=CC(=O)CCCCCF)C 1458a_100000211388_100000729378 [0,2,0,0,0,0|1,0,1]=4 7735 B11R0.2 CC(=CC(=O)CCCCCF)Cl 1458a_200042562850_100000729378 [0,2,0,0,0,0|1,0,1]=4 7736 B11R0.2 CC(=CC(=O)CCCCCF)I 1458a_100025716642_100000729378 [0,2,0,0,0,0|1,0,1]=4 7737 B11R0.2 CC(=CC(=O)CCCCCO)C 1458a_100000211388_100000746330 [0,2,0,0,0,0|1,0,1]=4 7738 B11R0.2 CC(=CC(=O)CCCCCO)Cl 1458a_200042562850_100000746330 [0,2,0,0,0,0|1,0,1]=4 7739 B11R0.2 CC(=CC(=O)CCCCCO)I 1458a_100025716642_100000746330 [0,2,0,0,0,0|1,0,1]=4 7740 B11R0.2 CC(C)CC(=O)CCCCC#N 1458a_100000210554_100000211819 [0,2,0,0,0,0|1,0,1]=4 7741 B11R0.2 CC(C)CC(=O)CCCCCF 1458a_100000210554_100000729378 [0,2,0,0,0,0|1,0,0]=3 7742 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100000210554_100000746330 [0,2,0,0,0,0|1,0,0]=3 7743 B11R0.2 CC(C)CC(=O)CCCCCO 1458a_100102619762_100000210624 [0,2,0,0,0,0|1,0,0]=3 7744 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100000210554_100011215305 [0,2,0,0,0,0|2,0,0]=4 7745 B11R0.2 CC(C)CC(=O)CCOCCO 1458a_100011229844_100000210624 [0,2,0,0,0,0|2,0,0]=4 7746 B11R0.2 CC(C)CC(=O)NCCCCO 240690a_100000750430_100000210554 [0,2,0,0,0,0|2,0,0]=4 7747 B11R0.2 CC(C)CC(=O)NCCCCO 527a_100000750430_100000210554 [0,2,0,0,0,0|2,0,0]=4 7748 B11R0.2 CC(C)NC(=O)CCCCCO 240690a_100138425928_100102619762 [0,2,0,0,0,0|1,0,0]=3 7749 B11R0.2 CC(C)NC(=O)CCNCCO 2230a_100016997473_100000737564 [0,2,0,0,0,0|2,0,0]=4 7750 B11R0.2 CC(C)NC(=O)CCOCCO 1626a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 7751 B11R0.2 CC(C)NC(=O)CCOCCO 240690a_100138425928_100011229844 [0,2,0,0,0,0|2,0,0]=4 7752 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100000737564_100011217306 [0,2,0,0,0,0|2,0,0]=4 7753 B11R0.2 CC(C)NC(=O)CCSCCF 62a_100011217306_100000737564 [0,2,0,0,0,0|2,0,0]=4 7754 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000211926_100000737564 [0,2,0,0,0,0|2,0,0]=4 7755 B11R0.2 CC(C)NC(=O)CCSCCO 62a_100000737564_100000211926 [0,2,0,0,0,0|2,0,0]=4 7756 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100000168517_100011934791 [0,2,0,0,0,0|2,0,0]=4 7757 B11R0.2 CC(C)NC(=O)CNCCCF 2230a_100015189416_100000183996 [0,2,0,0,0,0|2,0,0]=4 7758 B11R0.2 CC(C)NC(=O)CNCCCF 34a_100015189416_100000183996 [0,2,0,0,0,0|2,0,0]=4 7759 B11R0.2 CC(C)NC(=O)CNCCCO 2230a_100000168517_100000230001 [0,2,0,0,0,0|2,0,0]=4 7760 B11R0.2 CC(C)NC(=O)COCCCBr 34a_100011217188_100000183996 [0,2,0,0,0,0|2,0,0]=4 7761 B11R0.2 CC(C)NC(=O)COCCCCl 34a_100000230001_100000183996 [0,2,0,0,0,0|2,0,0]=4 7762 B11R0.2 CC(C)NC(=O)COCCCF 34a_100000759539_100000183996 [0,2,0,0,0,0|2,0,0]=4 7763 B11R0.2 CC(C)NC(=O)COCCCN 34a_100000182051_100000183996 [0,2,0,0,0,0|2,0,0]=4 7764 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100000183996_100011934791 [0,2,0,0,0,0|2,0,0]=4 7765 B11R0.2 CC(C)NC(=O)CSCCCF 62a_100011934791_100000183996 [0,2,0,0,0,0|2,0,0]=4 7766 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100000183996_100011215043 [0,2,0,0,0,0|2,0,0]=4 7767 B11R0.2 CC(C)NC(=O)CSCCCO 62a_100011215043_100000183996 [0,2,0,0,0,0|2,0,0]=4 7768 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 7769 B11R0.2 CC(C)NC(=O)NCCCCO 2708a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 7770 B11R0.2 CC(C)NC(=O)NCCCCO 273464a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 7771 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100000750430_100138425928 [0,2,0,0,0,0|2,0,0]=4 7772 B11R0.2 CC(C)NC(=O)NCCCCO 512a_100138425928_100000750430 [0,2,0,0,0,0|2,0,0]=4 7773 B11R0.2 CC(C)OC(=O)CCNCCO 2230a_100016997473_100000760027 [0,2,0,0,0,0|1,0,0]=3 7774 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100000760027_100011215382 [0,2,0,0,0,0|1,0,1]=4 7775 B11R0.2 CC(C)OC(=O)CCSCC#N 62a_100011215382_100000760027 [0,2,0,0,0,0|1,0,1]=4 7776 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_100000760027_200015260668 [0,2,0,0,0,0|1,0,1]=4 7777 B11R0.2 CC(C)OC(=O)CCSCC=O 62a_200015260668_100000760027 [0,2,0,0,0,0|1,0,1]=4 7778 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100000760027_100011217306 [0,2,0,0,0,0|1,0,0]=3 7779 B11R0.2 CC(C)OC(=O)CCSCCF 62a_100011217306_100000760027 [0,2,0,0,0,0|1,0,0]=3 7780 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000211926_100000760027 [0,2,0,0,0,0|1,0,0]=3 7781 B11R0.2 CC(C)OC(=O)CCSCCO 62a_100000760027_100000211926 [0,2,0,0,0,0|1,0,0]=3 7782 B11R0.2 CC(C)OC(=O)CNCCCF 2230a_100015189416_100011215430 [0,2,0,0,0,0|1,0,0]=3 7783 B11R0.2 CC(C)OC(=O)CNCCCF 34a_100015189416_100011215430 [0,2,0,0,0,0|1,0,0]=3 7784 B11R0.2 CC(C)OC(=O)COCCCBr 34a_100011217188_100011215430 [0,2,0,0,0,0|1,0,0]=3 7785 B11R0.2 CC(C)OC(=O)COCCCCl 34a_100000230001_100011215430 [0,2,0,0,0,0|1,0,0]=3 7786 B11R0.2 CC(C)OC(=O)COCCCF 34a_100000759539_100011215430 [0,2,0,0,0,0|1,0,0]=3 7787 B11R0.2 CC(C)OC(=O)COCCCN 34a_100000182051_100011215430 [0,2,0,0,0,0|1,0,0]=3 7788 B11R0.2 CC(C)OC(=O)COCCON 34a_100000700252_100011215430 [0,2,0,0,0,0|2,0,0]=4 7789 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215226_100011215430 [0,2,0,0,0,0|1,0,1]=4 7790 B11R0.2 CC(C)OC(=O)CSCCC#N 62a_100011215430_100011215226 [0,2,0,0,0,0|1,0,1]=4 7791 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011215430_100011934791 [0,2,0,0,0,0|1,0,0]=3 7792 B11R0.2 CC(C)OC(=O)CSCCCF 62a_100011934791_100011215430 [0,2,0,0,0,0|1,0,0]=3 7793 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215043_100011215430 [0,2,0,0,0,0|1,0,0]=3 7794 B11R0.2 CC(C)OC(=O)CSCCCO 62a_100011215430_100011215043 [0,2,0,0,0,0|1,0,0]=3 7795 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100000003507_100011217306 [0,2,0,0,0,0|2,0,0]=4 7796 B11R0.2 CC(C)OC(=O)OCSCCF 62a_100011217306_100000003507 [0,2,0,0,0,0|2,0,0]=4 7797 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000003507_100000211926 [0,2,0,0,0,0|2,0,0]=4 7798 B11R0.2 CC(C)OC(=O)OCSCCO 62a_100000211926_100000003507 [0,2,0,0,0,0|2,0,0]=4 7799 B11R0.2 CC(O)CC(=O)CCCCCO 1458a_100102619762_100011218427 [0,2,0,0,0,0|1,0,0]=3 7800 B11R0.2 CC(O)CC(=O)CCOCCO 1458a_100011229844_100011218427 [0,2,0,0,0,0|2,0,0]=4 7801 B11R0.2 CC/C=C\CCC(=O)CC(C)C 1458a_100000210554_100015370543 [0,2,0,0,0,0|1,0,1]=4 7802 B11R0.2 CC/C=C\CCC(=O)C[C@@H](C)O 1458a_100011933948_100015370543 [0,2,0,0,0,0|1,0,1]=4 7803 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100000070051_100011215430 [0,2,0,0,0,0|0,0,2]=4 7804 B11R0.2 CC=CCSCC(=O)OC(C)C 62a_100011215430_100000070051 [0,2,0,0,0,0|0,0,2]=4 7805 B11R0.2 CCC/C=C/CC(=O)CC(C)C 1458a_200016266809_100000210624 [0,2,0,0,0,0|1,0,1]=4 7806 B11R0.2 CCC/C=C/CC(=O)CC(C)O 1458a_200016266809_100011218427 [0,2,0,0,0,0|1,0,1]=4 7807 B11R0.2 CCC/C=C/CC(=O)NC(C)C 11a_100138425928_200016266809 [0,2,0,0,0,0|1,0,1]=4 7808 B11R0.2 CCC/C=C/CC(=O)NC(C)C 1626a_100138425928_200016266809 [0,2,0,0,0,0|1,0,1]=4 7809 B11R0.2 CCC/C=C/CC(=O)NC(C)C 240690a_100138425928_200016266809 [0,2,0,0,0,0|1,0,1]=4 7810 B11R0.2 CCC/C=C/CC(=O)NC(C)C 527a_100138425928_200016266809 [0,2,0,0,0,0|1,0,1]=4 7811 B11R0.2 CCCCC=CC(=O)CC(C)C 1458a_100016266645_100000210624 [0,2,0,0,0,0|1,0,1]=4 7812 B11R0.2 CCCCC=CC(=O)CC(C)O 1458a_100016266645_100011218427 [0,2,0,0,0,0|1,0,1]=4 7813 B11R0.2 CCCCC=CC(=O)NC(C)C 11a_100138425928_100016266645 [0,2,0,0,0,0|1,0,1]=4 7814 B11R0.2 CCCCC=CC(=O)NC(C)C 1626a_100138425928_100016266645 [0,2,0,0,0,0|1,0,1]=4 7815 B11R0.2 CCCCC=CC(=O)NC(C)C 240690a_100138425928_100016266645 [0,2,0,0,0,0|1,0,1]=4 7816 B11R0.2 CCCCCCC(=O)C=C(C)C 1458a_100000211388_100000210757 [0,2,0,0,0,0|1,0,1]=4 7817 B11R0.2 CCCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210757 [0,2,0,0,0,0|1,0,1]=4 7818 B11R0.2 CCCCCCC(=O)C=C(C)I 1458a_100025716642_100000210757 [0,2,0,0,0,0|1,0,1]=4 7819 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100000210554_100000210757 [0,2,0,0,0,0|1,0,0]=3 7820 B11R0.2 CCCCCCC(=O)CC(C)C 1458a_100102632555_100000210624 [0,2,0,0,0,0|1,0,0]=3 7821 B11R0.2 CCCCCCC(=O)CC(C)O 1458a_100102632555_100011218427 [0,2,0,0,0,0|1,0,0]=3 7822 B11R0.2 CCCCCCC(=O)CC(F)F 1458a_100102632555_100011934356 [0,2,0,0,0,0|2,0,0]=4 7823 B11R0.2 CCCCCCC(=O)CN(C)C 1458a_100000750896_100000210757 [0,2,0,0,0,0|2,0,0]=4 7824 B11R0.2 CCCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210757 [0,2,0,0,0,0|1,0,0]=3 7825 B11R0.2 CCCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210757 [0,2,0,0,0,0|2,0,0]=4 7826 B11R0.2 CCCCCCC(=O)NC(C)C 11a_100138425928_100102632555 [0,2,0,0,0,0|1,0,0]=3 7827 B11R0.2 CCCCCCC(=O)NC(C)C 1626a_100138425928_100102632555 [0,2,0,0,0,0|1,0,0]=3 7828 B11R0.2 CCCCCCC(=O)NC(C)C 240690a_100138425928_100102632555 [0,2,0,0,0,0|1,0,0]=3 7829 B11R0.2 CCCCCCC(=O)NC(C)C 527a_100138425928_100102632555 [0,2,0,0,0,0|1,0,0]=3 7830 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000210265_100000210206 [0,2,0,0,0,0|1,0,1]=4 7831 B11R0.2 CCCCCCC(C)OC(C)C 34a_100000212225_100011215978 [0,2,0,0,0,0|1,0,1]=4 7832 B11R0.2 CCCCCCC(C)OC(C)C 7a_100000210265_100000210206 [0,2,0,0,0,0|1,0,1]=4 7833 B11R0.2 CCCCCNC(=O)C=C(C)C 11a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 7834 B11R0.2 CCCCCNC(=O)C=C(C)C 1626a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 7835 B11R0.2 CCCCCNC(=O)C=C(C)C 240690a_100000209983_100000211388 [0,2,0,0,0,0|1,0,1]=4 7836 B11R0.2 CCCCCNC(=O)C=C(C)Cl 11a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 7837 B11R0.2 CCCCCNC(=O)C=C(C)Cl 1626a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 7838 B11R0.2 CCCCCNC(=O)C=C(C)Cl 240690a_100000209983_200042562850 [0,2,0,0,0,0|1,0,1]=4 7839 B11R0.2 CCCCCNC(=O)C=C(C)I 11a_100000209983_100025716642 [0,2,0,0,0,0|1,0,1]=4 7840 B11R0.2 CCCCCNC(=O)C=C(C)I 1626a_100000209983_100025716642 [0,2,0,0,0,0|1,0,1]=4 7841 B11R0.2 CCCCCNC(=O)CC(=O)C 1458a_100000070787_100000230301 [0,2,0,0,0,0|1,0,1]=4 7842 B11R0.2 CCCCCNC(=O)CC(C)C 11a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 7843 B11R0.2 CCCCCNC(=O)CC(C)C 1626a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 7844 B11R0.2 CCCCCNC(=O)CC(C)C 240690a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 7845 B11R0.2 CCCCCNC(=O)CC(C)C 527a_100000209983_100000210554 [0,2,0,0,0,0|1,0,0]=3 7846 B11R0.2 CCCCCNC(=O)CN(C)C 11a_100000209983_100000750896 [0,2,0,0,0,0|2,0,0]=4 7847 B11R0.2 CCCCCNC(=O)CN(C)C 2230a_100102631434_100000230301 [0,2,0,0,0,0|2,0,0]=4 7848 B11R0.2 CCCCCNC(=O)CN(C)C 240690a_100000209983_100000750896 [0,2,0,0,0,0|2,0,0]=4 7849 B11R0.2 CCCCCNC(=O)CN(C)C 269982a_100102631434_100000230301 [0,2,0,0,0,0|2,0,0]=4 7850 B11R0.2 CCCCCNC(=O)CN(C)C 527a_100000209983_100000750896 [0,2,0,0,0,0|2,0,0]=4 7851 B11R0.2 CCCCCNC(=O)C[C@@H](C)O 240690a_100000209983_100011933948 [0,2,0,0,0,0|1,0,0]=3 7852 B11R0.2 CCCCCNC(=O)C[S+](C)C 11a_100000209983_200159257847 [0,2,0,0,0,0|2,0,0]=4 7853 B11R0.2 CCCCCNC(=O)C[S+](C)C 1626a_100000209983_200159257847 [0,2,0,0,0,0|2,0,0]=4 7854 B11R0.2 CCCCCNC(=O)C[S+](C)C 240690a_100000209983_200159257847 [0,2,0,0,0,0|2,0,0]=4 7855 B11R0.2 CCCCCNC(=O)C[S+](C)C 527a_100000209983_200159257847 [0,2,0,0,0,0|2,0,0]=4 7856 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100000209983_100138425928 [0,2,0,0,0,0|1,0,0]=3 7857 B11R0.2 CCCCCNC(=O)NC(C)C 2708a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 7858 B11R0.2 CCCCCNC(=O)NC(C)C 273464a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 7859 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100000209983_100138425928 [0,2,0,0,0,0|1,0,0]=3 7860 B11R0.2 CCCCCNC(=O)NC(C)C 512a_100138425928_100000209983 [0,2,0,0,0,0|1,0,0]=3 7861 B11R0.2 CCCCNCC(=O)NC(=O)C 7a_106832991798_100000183797 [0,2,0,0,0,0|1,0,1]=4 7862 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000102301_100000183996 [0,2,0,0,0,0|1,0,0]=3 7863 B11R0.2 CCCCNCC(=O)NC(C)C 2230a_100000168517_100000210211 [0,2,0,0,0,0|1,0,0]=3 7864 B11R0.2 CCCCNCC(=O)NC(C)C 7a_106832991798_100000183996 [0,2,0,0,0,0|1,0,0]=3 7865 B11R0.2 CCCCNCC(=O)OC(C)C 2230a_100000102301_100011215430 [0,2,0,0,0,0|0,0,0]=2 7866 B11R0.2 CCCCNCC(=O)OC(C)C 7a_106832991798_100011215430 [0,2,0,0,0,0|0,0,0]=2 7867 B11R0.2 CCCCNNC(=O)CC(C)C 22a_100025702795_100000210554 [0,2,0,0,0,0|2,0,0]=4 7868 B11R0.2 CCCCNNC(=O)C[C@@H](C)O 22a_100025702795_100011933948 [0,2,0,0,0,0|2,0,0]=4 7869 B11R0.2 CCCCNNC(=O)NC(C)C 273464a_100138425928_100025702795 [0,2,0,0,0,0|2,0,0]=4 7870 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100025702795_100138425928 [0,2,0,0,0,0|2,0,0]=4 7871 B11R0.2 CCCCNNC(=O)NC(C)C 512a_100138425928_100025702795 [0,2,0,0,0,0|2,0,0]=4 7872 B11R0.2 CCCCOCC(=O)C=C(C)C 1458a_100000211388_100011995733 [0,2,0,0,0,0|1,0,1]=4 7873 B11R0.2 CCCCOCC(=O)C=C(C)Cl 1458a_200042562850_100011995733 [0,2,0,0,0,0|1,0,1]=4 7874 B11R0.2 CCCCOCC(=O)C=C(C)I 1458a_100025716642_100011995733 [0,2,0,0,0,0|1,0,1]=4 7875 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000210554_100011995733 [0,2,0,0,0,0|1,0,0]=3 7876 B11R0.2 CCCCOCC(=O)CC(C)C 1458a_100000757543_100000210624 [0,2,0,0,0,0|1,0,0]=3 7877 B11R0.2 CCCCOCC(=O)CC(C)O 1458a_100000757543_100011218427 [0,2,0,0,0,0|1,0,0]=3 7878 B11R0.2 CCCCOCC(=O)CC(F)F 1458a_100000757543_100011934356 [0,2,0,0,0,0|2,0,0]=4 7879 B11R0.2 CCCCOCC(=O)CN(C)C 1458a_100000750896_100011995733 [0,2,0,0,0,0|2,0,0]=4 7880 B11R0.2 CCCCOCC(=O)C[C@@H](C)O 1458a_100011933948_100011995733 [0,2,0,0,0,0|1,0,0]=3 7881 B11R0.2 CCCCOCC(=O)C[S+](C)C 1458a_200159257847_100011995733 [0,2,0,0,0,0|2,0,0]=4 7882 B11R0.2 CCCCOCC(=O)NC(=O)C 7a_100000210227_100000183797 [0,2,0,0,0,0|1,0,1]=4 7883 B11R0.2 CCCCOCC(=O)NC(C)C 11a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 7884 B11R0.2 CCCCOCC(=O)NC(C)C 1626a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 7885 B11R0.2 CCCCOCC(=O)NC(C)C 240690a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 7886 B11R0.2 CCCCOCC(=O)NC(C)C 34a_100000210227_100000183996 [0,2,0,0,0,0|1,0,0]=3 7887 B11R0.2 CCCCOCC(=O)NC(C)C 527a_100138425928_100000757543 [0,2,0,0,0,0|1,0,0]=3 7888 B11R0.2 CCCCOCC(=O)NC(C)C 7a_100000210227_100000183996 [0,2,0,0,0,0|1,0,0]=3 7889 B11R0.2 CCCCOCC(=O)OC(C)C 34a_100000210227_100011215430 [0,2,0,0,0,0|0,0,0]=2 7890 B11R0.2 CCCCOCC(=O)OC(C)C 7a_100000210227_100011215430 [0,2,0,0,0,0|0,0,0]=2 7891 B11R0.2 CCCCOCC(C)OC(C)C 34a_100011217071_100000210206 [0,2,0,0,0,0|1,0,1]=4 7892 B11R0.2 CCCCOCC(C)OC(C)C 7a_100011217071_100000210206 [0,2,0,0,0,0|1,0,1]=4 7893 B11R0.2 CCCCSCC(=O)CC(C)C 1458a_100000191162_100000210624 [0,2,0,0,0,0|1,0,0]=3 7894 B11R0.2 CCCCSCC(=O)CC(C)O 1458a_100000191162_100011218427 [0,2,0,0,0,0|1,0,0]=3 7895 B11R0.2 CCCCSCC(=O)CC(F)F 1458a_100000191162_100011934356 [0,2,0,0,0,0|2,0,0]=4 7896 B11R0.2 CCCCSCC(=O)NC(=O)C 62a_100000210211_100000183797 [0,2,0,0,0,0|1,0,1]=4 7897 B11R0.2 CCCCSCC(=O)NC(C)C 11a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 7898 B11R0.2 CCCCSCC(=O)NC(C)C 1626a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 7899 B11R0.2 CCCCSCC(=O)NC(C)C 240690a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 7900 B11R0.2 CCCCSCC(=O)NC(C)C 527a_100138425928_100000191162 [0,2,0,0,0,0|1,0,0]=3 7901 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000183996_100000210210 [0,2,0,0,0,0|1,0,0]=3 7902 B11R0.2 CCCCSCC(=O)NC(C)C 62a_100000210211_100000183996 [0,2,0,0,0,0|1,0,0]=3 7903 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100000210211_100011215430 [0,2,0,0,0,0|0,0,0]=2 7904 B11R0.2 CCCCSCC(=O)OC(C)C 62a_100011215430_100000210210 [0,2,0,0,0,0|0,0,0]=2 7905 B11R0.2 CCCOCCC(=O)C=C(C)C 1458a_100000211388_100011215938 [0,2,0,0,0,0|1,0,1]=4 7906 B11R0.2 CCCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215938 [0,2,0,0,0,0|1,0,1]=4 7907 B11R0.2 CCCOCCC(=O)C=C(C)I 1458a_100025716642_100011215938 [0,2,0,0,0,0|1,0,1]=4 7908 B11R0.2 CCCOCCC(=O)CC(C)C 1458a_100000210554_100011215938 [0,2,0,0,0,0|1,0,0]=3 7909 B11R0.2 CCCOCCC(=O)CN(C)C 1458a_100000750896_100011215938 [0,2,0,0,0,0|2,0,0]=4 7910 B11R0.2 CCCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215938 [0,2,0,0,0,0|1,0,0]=3 7911 B11R0.2 CCCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215938 [0,2,0,0,0,0|2,0,0]=4 7912 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000210303_100000737564 [0,2,0,0,0,0|1,0,0]=3 7913 B11R0.2 CCCSCCC(=O)NC(C)C 62a_100000737564_100000210303 [0,2,0,0,0,0|1,0,0]=3 7914 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000210303_100000760027 [0,2,0,0,0,0|0,0,0]=2 7915 B11R0.2 CCCSCCC(=O)OC(C)C 62a_100000760027_100000210303 [0,2,0,0,0,0|0,0,0]=2 7916 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000003507_100000210303 [0,2,0,0,0,0|1,0,0]=3 7917 B11R0.2 CCCSCOC(=O)OC(C)C 62a_100000210303_100000003507 [0,2,0,0,0,0|1,0,0]=3 7918 B11R0.2 CCOCCCC(=O)C=C(C)C 1458a_100000211388_100012232248 [0,2,0,0,0,0|1,0,1]=4 7919 B11R0.2 CCOCCCC(=O)C=C(C)Cl 1458a_200042562850_100012232248 [0,2,0,0,0,0|1,0,1]=4 7920 B11R0.2 CCOCCCC(=O)C=C(C)I 1458a_100025716642_100012232248 [0,2,0,0,0,0|1,0,1]=4 7921 B11R0.2 CCOCCCC(=O)CC(C)C 1458a_100000210554_100012232248 [0,2,0,0,0,0|1,0,0]=3 7922 B11R0.2 CCOCCCC(=O)CN(C)C 1458a_100000750896_100012232248 [0,2,0,0,0,0|2,0,0]=4 7923 B11R0.2 CCOCCCC(=O)C[C@@H](C)O 1458a_100011933948_100012232248 [0,2,0,0,0,0|1,0,0]=3 7924 B11R0.2 CCOCCCC(=O)C[S+](C)C 1458a_200159257847_100012232248 [0,2,0,0,0,0|2,0,0]=4 7925 B11R0.2 CCOCCNC(=O)CC(C)C 11a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 7926 B11R0.2 CCOCCNC(=O)CC(C)C 1626a_102516460346_100000210554 [0,2,0,0,0,0|2,0,0]=4 7927 B11R0.2 CCOCCNC(=O)CC(C)C 240690a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 7928 B11R0.2 CCOCCNC(=O)CC(C)C 527a_100011200944_100000210554 [0,2,0,0,0,0|2,0,0]=4 7929 B11R0.2 CCOCCNC(=O)C[C@@H](C)O 240690a_100011200944_100011933948 [0,2,0,0,0,0|2,0,0]=4 7930 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100011200944_100138425928 [0,2,0,0,0,0|2,0,0]=4 7931 B11R0.2 CCOCCNC(=O)NC(C)C 2708a_100138425928_100011200944 [0,2,0,0,0,0|2,0,0]=4 7932 B11R0.2 CCOCCNC(=O)NC(C)C 273464a_100138425928_102516460346 [0,2,0,0,0,0|2,0,0]=4 7933 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100011200944_100138425928 [0,2,0,0,0,0|2,0,0]=4 7934 B11R0.2 CCOCCNC(=O)NC(C)C 512a_100138425928_100011200944 [0,2,0,0,0,0|2,0,0]=4 7935 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000183996_100000739092 [0,2,0,0,0,0|2,0,0]=4 7936 B11R0.2 CCOCSCC(=O)NC(C)C 62a_100000739092_100000183996 [0,2,0,0,0,0|2,0,0]=4 7937 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100000739092_100011215430 [0,2,0,0,0,0|1,0,0]=3 7938 B11R0.2 CCOCSCC(=O)OC(C)C 62a_100011215430_100000739092 [0,2,0,0,0,0|1,0,0]=3 7939 B11R0.2 CCSCCNC(=O)CC(C)C 11a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 7940 B11R0.2 CCSCCNC(=O)CC(C)C 1626a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 7941 B11R0.2 CCSCCNC(=O)CC(C)C 240690a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 7942 B11R0.2 CCSCCNC(=O)CC(C)C 527a_100000106463_100000210554 [0,2,0,0,0,0|2,0,0]=4 7943 B11R0.2 CCSCCNC(=O)C[C@@H](C)O 240690a_100000106463_100011933948 [0,2,0,0,0,0|2,0,0]=4 7944 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100000106463_100138425928 [0,2,0,0,0,0|2,0,0]=4 7945 B11R0.2 CCSCCNC(=O)NC(C)C 2708a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 7946 B11R0.2 CCSCCNC(=O)NC(C)C 273464a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 7947 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100000106463_100138425928 [0,2,0,0,0,0|2,0,0]=4 7948 B11R0.2 CCSCCNC(=O)NC(C)C 512a_100138425928_100000106463 [0,2,0,0,0,0|2,0,0]=4 7949 B11R0.2 CN(C)CC(=O)CCCCCF 1458a_100000750896_100000729378 [0,2,0,0,0,0|2,0,0]=4 7950 B11R0.2 CN(C)CC(=O)CCCCCO 1458a_100000750896_100000746330 [0,2,0,0,0,0|2,0,0]=4 7951 B11R0.2 COCCCCC(=O)C=C(C)C 1458a_100000211388_100000755781 [0,2,0,0,0,0|1,0,1]=4 7952 B11R0.2 COCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000755781 [0,2,0,0,0,0|1,0,1]=4 7953 B11R0.2 COCCCCC(=O)C=C(C)I 1458a_100025716642_100000755781 [0,2,0,0,0,0|1,0,1]=4 7954 B11R0.2 COCCCCC(=O)CC(C)C 1458a_100000210554_100000755781 [0,2,0,0,0,0|1,0,0]=3 7955 B11R0.2 COCCCCC(=O)CN(C)C 1458a_100000750896_100000755781 [0,2,0,0,0,0|2,0,0]=4 7956 B11R0.2 COCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000755781 [0,2,0,0,0,0|1,0,0]=3 7957 B11R0.2 COCCCCC(=O)C[S+](C)C 1458a_200159257847_100000755781 [0,2,0,0,0,0|2,0,0]=4 7958 B11R0.2 COCCCNC(=O)CC(C)C 1626a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 7959 B11R0.2 COCCCNC(=O)CC(C)C 240690a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 7960 B11R0.2 COCCCNC(=O)CC(C)C 527a_100150723488_100000210554 [0,2,0,0,0,0|2,0,0]=4 7961 B11R0.2 COCCCNC(=O)C[C@@H](C)O 240690a_100150723488_100011933948 [0,2,0,0,0,0|2,0,0]=4 7962 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 7963 B11R0.2 COCCCNC(=O)NC(C)C 2708a_100150723488_100138425928 [0,2,0,0,0,0|2,0,0]=4 7964 B11R0.2 COCCCNC(=O)NC(C)C 273464a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 7965 B11R0.2 COCCCNC(=O)NC(C)C 512a_100138425928_100150723488 [0,2,0,0,0,0|2,0,0]=4 7966 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000168517_100011201679 [0,2,0,0,0,0|2,0,0]=4 7967 B11R0.2 COCCNCC(=O)NC(C)C 2230a_100000209980_100000183996 [0,2,0,0,0,0|2,0,0]=4 7968 B11R0.2 COCCNCC(=O)OC(C)C 2230a_100000209980_100011215430 [0,2,0,0,0,0|1,0,0]=3 7969 B11R0.2 COCCOCC(=O)CC(C)C 1458a_100000211095_100000210624 [0,2,0,0,0,0|2,0,0]=4 7970 B11R0.2 COCCOCC(=O)CC(C)O 1458a_100000211095_100011218427 [0,2,0,0,0,0|2,0,0]=4 7971 B11R0.2 COCCOCC(=O)NC(C)C 11a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 7972 B11R0.2 COCCOCC(=O)NC(C)C 1626a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 7973 B11R0.2 COCCOCC(=O)NC(C)C 240690a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 7974 B11R0.2 COCCOCC(=O)NC(C)C 34a_100000210237_100000183996 [0,2,0,0,0,0|2,0,0]=4 7975 B11R0.2 COCCOCC(=O)NC(C)C 527a_100138425928_100000211095 [0,2,0,0,0,0|2,0,0]=4 7976 B11R0.2 COCCOCC(=O)OC(C)C 34a_100000210237_100011215430 [0,2,0,0,0,0|1,0,0]=3 7977 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000183996_100000233755 [0,2,0,0,0,0|2,0,0]=4 7978 B11R0.2 COCCSCC(=O)NC(C)C 62a_100000233755_100000183996 [0,2,0,0,0,0|2,0,0]=4 7979 B11R0.2 COCCSCC(=O)OC(C)C 62a_100000233755_100011215430 [0,2,0,0,0,0|1,0,0]=3 7980 B11R0.2 COCCSCC(=O)OC(C)C 62a_100011215430_100000233755 [0,2,0,0,0,0|1,0,0]=3 7981 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000737564_100000766300 [0,2,0,0,0,0|2,0,0]=4 7982 B11R0.2 COCSCCC(=O)NC(C)C 62a_100000766300_100000737564 [0,2,0,0,0,0|2,0,0]=4 7983 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000760027_100000766300 [0,2,0,0,0,0|1,0,0]=3 7984 B11R0.2 COCSCCC(=O)OC(C)C 62a_100000766300_100000760027 [0,2,0,0,0,0|1,0,0]=3 7985 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000003507_100000766300 [0,2,0,0,0,0|2,0,0]=4 7986 B11R0.2 COCSCOC(=O)OC(C)C 62a_100000766300_100000003507 [0,2,0,0,0,0|2,0,0]=4 7987 B11R0.2 CSCCCNC(=O)CC(C)C 11a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 7988 B11R0.2 CSCCCNC(=O)CC(C)C 1626a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 7989 B11R0.2 CSCCCNC(=O)CC(C)C 240690a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 7990 B11R0.2 CSCCCNC(=O)CC(C)C 527a_100000749238_100000210554 [0,2,0,0,0,0|2,0,0]=4 7991 B11R0.2 CSCCCNC(=O)C[C@@H](C)O 240690a_100000749238_100011933948 [0,2,0,0,0,0|2,0,0]=4 7992 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100000749238_100138425928 [0,2,0,0,0,0|2,0,0]=4 7993 B11R0.2 CSCCCNC(=O)NC(C)C 2708a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 7994 B11R0.2 CSCCCNC(=O)NC(C)C 273464a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 7995 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100000749238_100138425928 [0,2,0,0,0,0|2,0,0]=4 7996 B11R0.2 CSCCCNC(=O)NC(C)C 512a_100138425928_100000749238 [0,2,0,0,0,0|2,0,0]=4 7997 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100000168517_100000751147 [0,2,0,0,0,0|2,0,0]=4 7998 B11R0.2 CSCCNCC(=O)NC(C)C 2230a_100020590264_100000183996 [0,2,0,0,0,0|2,0,0]=4 7999 B11R0.2 CSCCNCC(=O)OC(C)C 2230a_100020590264_100011215430 [0,2,0,0,0,0|1,0,0]=3 8000 B11R0.2 CSCCOCC(=O)NC(C)C 34a_100000230434_100000183996 [0,2,0,0,0,0|2,0,0]=4 8001 B11R0.2 CSCCOCC(=O)NC(C)C 7a_100000230434_100000183996 [0,2,0,0,0,0|2,0,0]=4 8002 B11R0.2 CSCCOCC(=O)OC(C)C 34a_100000230434_100011215430 [0,2,0,0,0,0|1,0,0]=3 8003 B11R0.2 CSCCOCC(=O)OC(C)C 7a_100000230434_100011215430 [0,2,0,0,0,0|1,0,0]=3 8004 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000183996_100000751147 [0,2,0,0,0,0|2,0,0]=4 8005 B11R0.2 CSCCSCC(=O)NC(C)C 62a_100000212216_100000183996 [0,2,0,0,0,0|2,0,0]=4 8006 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100000212216_100011215430 [0,2,0,0,0,0|1,0,0]=3 8007 B11R0.2 CSCCSCC(=O)OC(C)C 62a_100011215430_100000751147 [0,2,0,0,0,0|1,0,0]=3 8008 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100000737564_100011218213 [0,2,0,0,0,0|2,0,0]=4 8009 B11R0.2 CSCSCCC(=O)NC(C)C 62a_100011218213_100000737564 [0,2,0,0,0,0|2,0,0]=4 8010 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100000760027_100011218213 [0,2,0,0,0,0|1,0,0]=3 8011 B11R0.2 CSCSCCC(=O)OC(C)C 62a_100011218213_100000760027 [0,2,0,0,0,0|1,0,0]=3 8012 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100000003507_100011218213 [0,2,0,0,0,0|2,0,0]=4 8013 B11R0.2 CSCSCOC(=O)OC(C)C 62a_100011218213_100000003507 [0,2,0,0,0,0|2,0,0]=4 8014 B11R0.2 C[C@@H](O)CC(=O)CCCCC#N 1458a_100011933948_100000211819 [0,2,0,0,0,0|1,0,1]=4 8015 B11R0.2 C[C@@H](O)CC(=O)CCCCCF 1458a_100011933948_100000729378 [0,2,0,0,0,0|1,0,0]=3 8016 B11R0.2 C[C@@H](O)CC(=O)CCCCCO 1458a_100011933948_100000746330 [0,2,0,0,0,0|1,0,0]=3 8017 B11R0.2 C[C@@H](O)CC(=O)CCOCCO 1458a_100011933948_100011215305 [0,2,0,0,0,0|2,0,0]=4 8018 B11R0.2 C[C@@H](O)CC(=O)NCCCCO 240690a_100000750430_100011933948 [0,2,0,0,0,0|2,0,0]=4 8019 B11R0.2 C[S+](C)CC(=O)CCCCCF 1458a_200159257847_100000729378 [0,2,0,0,0,0|2,0,0]=4 8020 B11R0.2 C[S+](C)CC(=O)CCCCCO 1458a_200159257847_100000746330 [0,2,0,0,0,0|2,0,0]=4 8021 B11R0.2 O=C(CCCCCO)CC(F)F 1458a_100102619762_100011934356 [0,2,0,0,0,0|2,0,0]=4 8022 B11R0.4 C#CCCCCCC(=O)C#CC 1458a_100000763181_100012094781 [0,2,0,0,0,0|1,0,1]=4 8023 B11R0.4 C#CCCCCCC(=O)C=CC 1458a_100000210699_100012094781 [0,2,0,0,0,0|1,0,1]=4 8024 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000211992_100012094781 [0,2,0,0,0,0|1,0,0]=3 8025 B11R0.4 C#CCCCCCC(=O)CCC 1458a_100000694772_100000210303 [0,2,0,0,0,0|1,0,0]=3 8026 B11R0.4 C#CCCCCCC(=O)CCF 1458a_100000694772_100011217306 [0,2,0,0,0,0|2,0,0]=4 8027 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100000694772_100000211926 [0,2,0,0,0,0|2,0,0]=4 8028 B11R0.4 C#CCCCCCC(=O)CCO 1458a_100011216618_100012094781 [0,2,0,0,0,0|2,0,0]=4 8029 B11R0.4 C#CCCCCCC(=O)COC 1458a_100000210968_100012094781 [0,2,0,0,0,0|2,0,0]=4 8030 B11R0.4 C#CCCCCCC(=O)CSC 1458a_100000184570_100012094781 [0,2,0,0,0,0|2,0,0]=4 8031 B11R0.4 C#CCCCCCC(=O)NCC 11a_100015525214_100000694772 [0,2,0,0,0,0|1,0,0]=3 8032 B11R0.4 C#CCCCCCC(=O)NCC 240690a_100015525214_100000694772 [0,2,0,0,0,0|1,0,0]=3 8033 B11R0.4 C#CCCCCCC(=O)NCC 527a_100015525214_100000694772 [0,2,0,0,0,0|1,0,0]=3 8034 B11R0.4 C#CCCCCCC(=O)NNC 22a_100016993582_100000694772 [0,2,0,0,0,0|2,0,0]=4 8035 B11R0.4 C#CCCCCNC(=O)CCC 11a_100000706060_100000211992 [0,2,0,0,0,0|1,0,1]=4 8036 B11R0.4 C#CCCCCNC(=O)CCC 1626a_100000706060_100000211992 [0,2,0,0,0,0|1,0,1]=4 8037 B11R0.4 C#CCCCCNC(=O)CCC 240690a_100000706060_100000211992 [0,2,0,0,0,0|1,0,1]=4 8038 B11R0.4 C#CCCCCNC(=O)CCC 527a_100000706060_100000211992 [0,2,0,0,0,0|1,0,1]=4 8039 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100000706060_100015525214 [0,2,0,0,0,0|1,0,1]=4 8040 B11R0.4 C#CCCCCNC(=O)NCC 2708a_100015525214_100000706060 [0,2,0,0,0,0|1,0,1]=4 8041 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100000706060_100015525214 [0,2,0,0,0,0|1,0,1]=4 8042 B11R0.4 C#CCCCCNC(=O)NCC 273464a_100015525214_100000706060 [0,2,0,0,0,0|1,0,1]=4 8043 B11R0.4 C#CCCCCNC(=O)NCC 512a_100000706060_100015525214 [0,2,0,0,0,0|1,0,1]=4 8044 B11R0.4 C#CCCCCNC(=O)NCC 512a_100015525214_100000706060 [0,2,0,0,0,0|1,0,1]=4 8045 B11R0.4 C#CCCCNCC(=O)NCC 2230a_100016988866_100000731252 [0,2,0,0,0,0|1,0,1]=4 8046 B11R0.4 C#CCCCNCC(=O)NCC 34a_100000718082_100000183381 [0,2,0,0,0,0|1,0,1]=4 8047 B11R0.4 C#CCCCNCC(=O)OCC 34a_100000718082_100000188475 [0,2,0,0,0,0|0,0,1]=3 8048 B11R0.4 C#CCCCOCC(=O)CCC 7a_100000215630_100000747444 [0,2,0,0,0,0|1,0,1]=4 8049 B11R0.4 C#CCCCOCC(=O)NCC 34a_100000215630_100000183381 [0,2,0,0,0,0|1,0,1]=4 8050 B11R0.4 C#CCCCOCC(=O)NCC 7a_100000215630_100000183381 [0,2,0,0,0,0|1,0,1]=4 8051 B11R0.4 C#CCCCOCC(=O)OCC 34a_100000215630_100000188475 [0,2,0,0,0,0|0,0,1]=3 8052 B11R0.4 C#CCCCOCC(=O)OCC 7a_100000215630_100000188475 [0,2,0,0,0,0|0,0,1]=3 8053 B11R0.4 C#CCCCSCC(=O)CCC 62a_100000747444_100011215417 [0,2,0,0,0,0|1,0,1]=4 8054 B11R0.4 C#CCCCSCC(=O)CCC 62a_100011215417_100000747444 [0,2,0,0,0,0|1,0,1]=4 8055 B11R0.4 C#CCCCSCC(=O)NCC 62a_100000183381_100011215417 [0,2,0,0,0,0|1,0,1]=4 8056 B11R0.4 C#CCCCSCC(=O)NCC 62a_100011215417_100000183381 [0,2,0,0,0,0|1,0,1]=4 8057 B11R0.4 C#CCCCSCC(=O)OCC 62a_100000188475_100011215417 [0,2,0,0,0,0|0,0,1]=3 8058 B11R0.4 C#CCCCSCC(=O)OCC 62a_100011215417_100000188475 [0,2,0,0,0,0|0,0,1]=3 8059 B11R0.4 C#CCCNCCC(=O)NCC 34a_100025743525_100000688953 [0,2,0,0,0,0|1,0,1]=4 8060 B11R0.4 C#CCCNCCC(=O)OCC 34a_100000755551_100000765890 [0,2,0,0,0,0|0,0,1]=3 8061 B11R0.4 C#CCCOCCC(=O)OCC 34a_100011215631_100000765890 [0,2,0,0,0,0|0,0,1]=3 8062 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000688953_100000737597 [0,2,0,0,0,0|1,0,1]=4 8063 B11R0.4 C#CCCSCCC(=O)NCC 62a_100000737597_100000688953 [0,2,0,0,0,0|1,0,1]=4 8064 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000688953_100000765890 [0,2,0,0,0,0|0,0,1]=3 8065 B11R0.4 C#CCCSCCC(=O)OCC 62a_100000765890_100000688953 [0,2,0,0,0,0|0,0,1]=3 8066 B11R0.4 C#CCCSCOC(=O)OCC 62a_100000688953_100000075025 [0,2,0,0,0,0|0,0,2]=4 8067 B11R0.4 C#CCNCCCC(=O)OCC 34a_100000212058_100009991533 [0,2,0,0,0,0|0,0,1]=3 8068 B11R0.4 C#CCOCCCC(=O)OCC 34a_100000210247_100009991533 [0,2,0,0,0,0|0,0,1]=3 8069 B11R0.4 C#CCOCCCC(=O)OCC 7a_100012001163_100000038162 [0,2,0,0,0,0|0,0,1]=3 8070 B11R0.4 C#CCOCCNC(=O)OCC 34a_100000158857_100000184674 [0,2,0,0,0,0|0,0,2]=4 8071 B11R0.4 C#CCSCCCC(=O)OCC 62a_100000038162_100009991533 [0,2,0,0,0,0|0,0,1]=3 8072 B11R0.4 C#CCSCCNC(=O)OCC 62a_100000038162_200011445536 [0,2,0,0,0,0|0,0,2]=4 8073 B11R0.4 C/C=C/CCOCC(=O)NCC 34a_100016278192_100000183381 [0,2,0,0,0,0|1,0,1]=4 8074 B11R0.4 C/C=C/CCOCC(=O)OCC 34a_100016278192_100000188475 [0,2,0,0,0,0|0,0,1]=3 8075 B11R0.4 C/C=C/CNCCC(=O)NCC 34a_100025743525_100102629194 [0,2,0,0,0,0|1,0,1]=4 8076 B11R0.4 C/C=C/COCCC(=O)OCC 34a_100016270725_100000765890 [0,2,0,0,0,0|0,0,1]=3 8077 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100000737597_100102629194 [0,2,0,0,0,0|1,0,1]=4 8078 B11R0.4 C/C=C/CSCCC(=O)NCC 62a_100102629194_100000737597 [0,2,0,0,0,0|1,0,1]=4 8079 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100000765890_100102629194 [0,2,0,0,0,0|0,0,1]=3 8080 B11R0.4 C/C=C/CSCCC(=O)OCC 62a_100102629194_100000765890 [0,2,0,0,0,0|0,0,1]=3 8081 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,2,0,0,0,0|0,0,2]=4 8082 B11R0.4 C=CCCCCCC(=O)C#CC 1458a_100000763181_100000700193 [0,2,0,0,0,0|1,0,1]=4 8083 B11R0.4 C=CCCCCCC(=O)C=CC 1458a_100000210699_100000700193 [0,2,0,0,0,0|1,0,1]=4 8084 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100000211992_100000700193 [0,2,0,0,0,0|1,0,0]=3 8085 B11R0.4 C=CCCCCCC(=O)CCC 1458a_100011934241_100000210303 [0,2,0,0,0,0|1,0,0]=3 8086 B11R0.4 C=CCCCCCC(=O)CCF 1458a_100011934241_100011217306 [0,2,0,0,0,0|2,0,0]=4 8087 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011216618_100000700193 [0,2,0,0,0,0|2,0,0]=4 8088 B11R0.4 C=CCCCCCC(=O)CCO 1458a_100011934241_100000211926 [0,2,0,0,0,0|2,0,0]=4 8089 B11R0.4 C=CCCCCCC(=O)COC 1458a_100000210968_100000700193 [0,2,0,0,0,0|2,0,0]=4 8090 B11R0.4 C=CCCCCCC(=O)CSC 1458a_100000184570_100000700193 [0,2,0,0,0,0|2,0,0]=4 8091 B11R0.4 C=CCCCCCC(=O)NCC 11a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 8092 B11R0.4 C=CCCCCCC(=O)NCC 240690a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 8093 B11R0.4 C=CCCCCCC(=O)NCC 527a_100015525214_100011934241 [0,2,0,0,0,0|1,0,0]=3 8094 B11R0.4 C=CCCCCCC(=O)NNC 22a_100016993582_100011934241 [0,2,0,0,0,0|2,0,0]=4 8095 B11R0.4 C=CCCCCNC(=O)CCC 11a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 8096 B11R0.4 C=CCCCCNC(=O)CCC 1626a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 8097 B11R0.4 C=CCCCCNC(=O)CCC 240690a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 8098 B11R0.4 C=CCCCCNC(=O)CCC 527a_100000703577_100000211992 [0,2,0,0,0,0|1,0,1]=4 8099 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100000703577_100015525214 [0,2,0,0,0,0|1,0,1]=4 8100 B11R0.4 C=CCCCCNC(=O)NCC 2708a_100015525214_100000703577 [0,2,0,0,0,0|1,0,1]=4 8101 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100000703577_100015525214 [0,2,0,0,0,0|1,0,1]=4 8102 B11R0.4 C=CCCCCNC(=O)NCC 273464a_100015525214_100000703577 [0,2,0,0,0,0|1,0,1]=4 8103 B11R0.4 C=CCCCCNC(=O)NCC 512a_100000703577_100015525214 [0,2,0,0,0,0|1,0,1]=4 8104 B11R0.4 C=CCCCCNC(=O)NCC 512a_100015525214_100000703577 [0,2,0,0,0,0|1,0,1]=4 8105 B11R0.4 C=CCCCNCC(=O)CCC 2230a_100000700776_100000747444 [0,2,0,0,0,0|1,0,1]=4 8106 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100000700776_100000183381 [0,2,0,0,0,0|1,0,1]=4 8107 B11R0.4 C=CCCCNCC(=O)NCC 2230a_100016988866_100011713584 [0,2,0,0,0,0|1,0,1]=4 8108 B11R0.4 C=CCCCNCC(=O)NCC 34a_100000700776_100000183381 [0,2,0,0,0,0|1,0,1]=4 8109 B11R0.4 C=CCCCNCC(=O)OCC 2230a_100000700776_100000188475 [0,2,0,0,0,0|0,0,1]=3 8110 B11R0.4 C=CCCCNCC(=O)OCC 34a_100000700776_100000188475 [0,2,0,0,0,0|0,0,1]=3 8111 B11R0.4 C=CCCCOCC(=O)CCC 7a_100000758997_100000747444 [0,2,0,0,0,0|1,0,1]=4 8112 B11R0.4 C=CCCCOCC(=O)NCC 34a_100000758997_100000183381 [0,2,0,0,0,0|1,0,1]=4 8113 B11R0.4 C=CCCCOCC(=O)NCC 7a_100000758997_100000183381 [0,2,0,0,0,0|1,0,1]=4 8114 B11R0.4 C=CCCCOCC(=O)OCC 34a_100000758997_100000188475 [0,2,0,0,0,0|0,0,1]=3 8115 B11R0.4 C=CCCCOCC(=O)OCC 7a_100000758997_100000188475 [0,2,0,0,0,0|0,0,1]=3 8116 B11R0.4 C=CCCCSCC(=O)CCC 62a_100000747444_100000757094 [0,2,0,0,0,0|1,0,1]=4 8117 B11R0.4 C=CCCCSCC(=O)CCC 62a_100011713584_100000747444 [0,2,0,0,0,0|1,0,1]=4 8118 B11R0.4 C=CCCCSCC(=O)NCC 62a_100000183381_100000757094 [0,2,0,0,0,0|1,0,1]=4 8119 B11R0.4 C=CCCCSCC(=O)NCC 62a_100011713584_100000183381 [0,2,0,0,0,0|1,0,1]=4 8120 B11R0.4 C=CCCCSCC(=O)OCC 62a_100000188475_100000757094 [0,2,0,0,0,0|0,0,1]=3 8121 B11R0.4 C=CCCCSCC(=O)OCC 62a_100011713584_100000188475 [0,2,0,0,0,0|0,0,1]=3 8122 B11R0.4 C=CCCNCCC(=O)NCC 2230a_100015191253_100000737597 [0,2,0,0,0,0|1,0,1]=4 8123 B11R0.4 C=CCCNCCC(=O)NCC 34a_100025743525_100000754431 [0,2,0,0,0,0|1,0,1]=4 8124 B11R0.4 C=CCCNCCC(=O)OCC 2230a_100015191253_100011206558 [0,2,0,0,0,0|0,0,1]=3 8125 B11R0.4 C=CCCOCCC(=O)OCC 34a_100011205117_100000765890 [0,2,0,0,0,0|0,0,1]=3 8126 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000737597_100000754431 [0,2,0,0,0,0|1,0,1]=4 8127 B11R0.4 C=CCCSCCC(=O)NCC 62a_100000754431_100000737597 [0,2,0,0,0,0|1,0,1]=4 8128 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000754431_100000765890 [0,2,0,0,0,0|0,0,1]=3 8129 B11R0.4 C=CCCSCCC(=O)OCC 62a_100000765890_100000754431 [0,2,0,0,0,0|0,0,1]=3 8130 B11R0.4 C=CCCSCOC(=O)OCC 62a_100000754431_100000075025 [0,2,0,0,0,0|0,0,2]=4 8131 B11R0.4 C=CCNCCCC(=O)OCC 2230a_100020586998_100009991533 [0,2,0,0,0,0|0,0,1]=3 8132 B11R0.4 C=CCOCCCC(=O)OCC 34a_200000210373_100009991533 [0,2,0,0,0,0|0,0,1]=3 8133 B11R0.4 C=CCOCCCC(=O)OCC 7a_100012001163_100015514636 [0,2,0,0,0,0|0,0,1]=3 8134 B11R0.4 C=CCOCCNC(=O)OCC 34a_100000158857_100015514636 [0,2,0,0,0,0|0,0,2]=4 8135 B11R0.4 C=CCSCCCC(=O)OCC 62a_100000210623_100009991533 [0,2,0,0,0,0|0,0,1]=3 8136 B11R0.4 C=CCSCCCC(=O)OCC 62a_100009991533_100000210623 [0,2,0,0,0,0|0,0,1]=3 8137 B11R0.4 C=CCSCCNC(=O)OCC 62a_100000210623_200011445536 [0,2,0,0,0,0|0,0,2]=4 8138 B11R0.4 C=COC(=O)CNCCCCC 2230a_100000209983_100000036128 [0,2,0,0,0,0|0,0,2]=4 8139 B11R0.4 C=COC(=O)CNCCCCO 2230a_100000750430_100000036128 [0,2,0,0,0,0|0,0,2]=4 8140 B11R0.4 C=COC(=O)CNCCCCO 34a_100000750430_100000036128 [0,2,0,0,0,0|0,0,2]=4 8141 B11R0.4 C=COC(=O)CNCCCOC 34a_100150723488_100000036128 [0,2,0,0,0,0|0,0,2]=4 8142 B11R0.4 C=COC(=O)CNCCCSC 2230a_100000749238_100000036128 [0,2,0,0,0,0|0,0,2]=4 8143 B11R0.4 C=COC(=O)CNCCOCC 2230a_102516460346_100000036128 [0,2,0,0,0,0|0,0,2]=4 8144 B11R0.4 C=COC(=O)CNCCOCC 34a_102516460346_100000036128 [0,2,0,0,0,0|0,0,2]=4 8145 B11R0.4 C=COC(=O)CNCCSCC 2230a_100000106463_100000036128 [0,2,0,0,0,0|0,0,2]=4 8146 B11R0.4 C=COC(=O)COCCCCBr 34a_100011216708_100000036128 [0,2,0,0,0,0|0,0,2]=4 8147 B11R0.4 C=COC(=O)COCCCCC 34a_100000210253_100000036128 [0,2,0,0,0,0|0,0,2]=4 8148 B11R0.4 C=COC(=O)COCCCCCl 34a_100000210776_100000036128 [0,2,0,0,0,0|0,0,2]=4 8149 B11R0.4 C=COC(=O)COCCCCF 34a_100011995726_100000036128 [0,2,0,0,0,0|0,0,2]=4 8150 B11R0.4 C=COC(=O)COCCCCI 34a_200012148704_100000036128 [0,2,0,0,0,0|0,0,2]=4 8151 B11R0.4 C=COC(=O)COCCCCN 34a_100000750430_100000036128 [0,2,0,0,0,0|0,0,2]=4 8152 B11R0.4 C=COC(=O)COCCCNC 34a_100000213112_100000036128 [0,2,0,0,0,0|0,0,2]=4 8153 B11R0.4 C=COC(=O)COCCCOC 34a_100000740835_100000036128 [0,2,0,0,0,0|0,0,2]=4 8154 B11R0.4 C=COC(=O)COCCCSC 34a_100000690336_100000036128 [0,2,0,0,0,0|0,0,2]=4 8155 B11R0.4 C=COC(=O)COCCOCC 34a_100000210136_100000036128 [0,2,0,0,0,0|0,0,2]=4 8156 B11R0.4 C=COC(=O)COCCSCC 34a_100000212035_100000036128 [0,2,0,0,0,0|0,0,2]=4 8157 B11R0.4 C=COC(=O)CSCCCCC 62a_100000036128_100000210326 [0,2,0,0,0,0|0,0,2]=4 8158 B11R0.4 C=COC(=O)CSCCCCC 62a_100000210326_100000036128 [0,2,0,0,0,0|0,0,2]=4 8159 B11R0.4 C=COC(=O)CSCCCCF 62a_100000036128_100000729493 [0,2,0,0,0,0|0,0,2]=4 8160 B11R0.4 C=COC(=O)CSCCCCF 62a_100000729493_100000036128 [0,2,0,0,0,0|0,0,2]=4 8161 B11R0.4 C=COC(=O)CSCCCCO 62a_100000036128_100000210776 [0,2,0,0,0,0|0,0,2]=4 8162 B11R0.4 C=COC(=O)CSCCCCO 62a_100000210776_100000036128 [0,2,0,0,0,0|0,0,2]=4 8163 B11R0.4 C=COC(=O)CSCCCOC 62a_100000036128_100000709357 [0,2,0,0,0,0|0,0,2]=4 8164 B11R0.4 C=COC(=O)CSCCCOC 62a_100000709357_100000036128 [0,2,0,0,0,0|0,0,2]=4 8165 B11R0.4 C=COC(=O)CSCCOCC 62a_100000036128_100011215890 [0,2,0,0,0,0|0,0,2]=4 8166 B11R0.4 C=COC(=O)CSCCOCC 62a_100000210147_100000036128 [0,2,0,0,0,0|0,0,2]=4 8167 B11R0.4 C=COC(=O)CSCCSCC 62a_100000036128_100000757381 [0,2,0,0,0,0|0,0,2]=4 8168 B11R0.4 C=COC(=O)CSCCSCC 62a_100000757381_100000036128 [0,2,0,0,0,0|0,0,2]=4 8169 B11R0.4 C=COCCOCC(=O)OCC 34a_100000033082_100000188475 [0,2,0,0,0,0|0,0,2]=4 8170 B11R0.4 C=COCCSCC(=O)OCC 62a_100000039644_100000188475 [0,2,0,0,0,0|0,0,2]=4 8171 B11R0.4 C=COCCSCC(=O)OCC 62a_100000188475_100000039644 [0,2,0,0,0,0|0,0,2]=4 8172 B11R0.4 CC#CC(=O)CCCCCC#N 1458a_100000763181_100009813376 [0,2,0,0,0,0|1,0,1]=4 8173 B11R0.4 CC#CC(=O)CCCCCCC 1458a_100000763181_100000210614 [0,2,0,0,0,0|1,0,1]=4 8174 B11R0.4 CC#CC(=O)CCCCCCF 1458a_100000763181_100015922095 [0,2,0,0,0,0|1,0,1]=4 8175 B11R0.4 CC#CC(=O)CCCCCCO 1458a_100000763181_100000766143 [0,2,0,0,0,0|1,0,1]=4 8176 B11R0.4 CC#CC(=O)CCOCCCC 1458a_100000763181_100000743108 [0,2,0,0,0,0|1,0,1]=4 8177 B11R0.4 CC#CC(=O)CCOCCOC 1458a_100000763181_100000695917 [0,2,0,0,0,0|1,0,1]=4 8178 B11R0.4 CC#CC(=O)NNCCCCC 22a_100000694160_100000763181 [0,2,0,0,0,0|1,0,1]=4 8179 B11R0.4 CC#CCCOCC(=O)NCC 34a_100000750427_100000183381 [0,2,0,0,0,0|1,0,1]=4 8180 B11R0.4 CC#CCCOCC(=O)OCC 34a_100000750427_100000188475 [0,2,0,0,0,0|0,0,1]=3 8181 B11R0.4 CC#CCNCCC(=O)NCC 2230a_100000685387_100000737597 [0,2,0,0,0,0|1,0,1]=4 8182 B11R0.4 CC#CCNCCC(=O)NCC 34a_100025743525_100000748600 [0,2,0,0,0,0|1,0,1]=4 8183 B11R0.4 CC#CCNCCC(=O)OCC 2230a_100000685387_100011206558 [0,2,0,0,0,0|0,0,1]=3 8184 B11R0.4 CC#CCNCCC(=O)OCC 34a_100000685387_100000765890 [0,2,0,0,0,0|0,0,1]=3 8185 B11R0.4 CC#CCOCCC(=O)OCC 34a_100000761923_100000765890 [0,2,0,0,0,0|0,0,1]=3 8186 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000737597_100000748600 [0,2,0,0,0,0|1,0,1]=4 8187 B11R0.4 CC#CCSCCC(=O)NCC 62a_100000748600_100000737597 [0,2,0,0,0,0|1,0,1]=4 8188 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000748600_100000765890 [0,2,0,0,0,0|0,0,1]=3 8189 B11R0.4 CC#CCSCCC(=O)OCC 62a_100000765890_100000748600 [0,2,0,0,0,0|0,0,1]=3 8190 B11R0.4 CC#CCSCOC(=O)OCC 62a_100000748600_100000075025 [0,2,0,0,0,0|0,0,2]=4 8191 B11R0.4 CC/C=C\CNCC(=O)NCC 2230a_100016988866_100103147603 [0,2,0,0,0,0|1,0,1]=4 8192 B11R0.4 CC/C=C\COCC(=O)NCC 34a_100016268518_100000183381 [0,2,0,0,0,0|1,0,1]=4 8193 B11R0.4 CC/C=C\COCC(=O)OCC 34a_100016268518_100000188475 [0,2,0,0,0,0|0,0,1]=3 8194 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100000747444_100103147603 [0,2,0,0,0,0|1,0,1]=4 8195 B11R0.4 CC/C=C\CSCC(=O)CCC 62a_100103147603_100000747444 [0,2,0,0,0,0|1,0,1]=4 8196 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100000183381_100103147603 [0,2,0,0,0,0|1,0,1]=4 8197 B11R0.4 CC/C=C\CSCC(=O)NCC 62a_100103147603_100000183381 [0,2,0,0,0,0|1,0,1]=4 8198 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100000188475_100103147603 [0,2,0,0,0,0|0,0,1]=3 8199 B11R0.4 CC/C=C\CSCC(=O)OCC 62a_100103147603_100000188475 [0,2,0,0,0,0|0,0,1]=3 8200 B11R0.4 CC=CC(=O)CCCCCC#N 1458a_100000210699_100009813376 [0,2,0,0,0,0|1,0,1]=4 8201 B11R0.4 CC=CC(=O)CCCCCCC 1458a_100000210699_100000210614 [0,2,0,0,0,0|1,0,1]=4 8202 B11R0.4 CC=CC(=O)CCCCCCF 1458a_100000210699_100015922095 [0,2,0,0,0,0|1,0,1]=4 8203 B11R0.4 CC=CC(=O)CCCCCCO 1458a_100000210699_100000766143 [0,2,0,0,0,0|1,0,1]=4 8204 B11R0.4 CC=CC(=O)CCOCCCC 1458a_100000210699_100000743108 [0,2,0,0,0,0|1,0,1]=4 8205 B11R0.4 CC=CC(=O)CCOCCOC 1458a_100000210699_100000695917 [0,2,0,0,0,0|1,0,1]=4 8206 B11R0.4 CC=CC(=O)NCCCCCC 11a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 8207 B11R0.4 CC=CC(=O)NCCCCCC 1626a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 8208 B11R0.4 CC=CC(=O)NCCCCCC 240690a_100000210581_100000210699 [0,2,0,0,0,0|1,0,1]=4 8209 B11R0.4 CC=CC(=O)NCCCCCO 240690a_100000762737_100000210699 [0,2,0,0,0,0|1,0,1]=4 8210 B11R0.4 CC=CC(=O)NCCCOCC 11a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 8211 B11R0.4 CC=CC(=O)NCCCOCC 1626a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 8212 B11R0.4 CC=CC(=O)NCCCOCC 240690a_100000210961_100000210699 [0,2,0,0,0,0|1,0,1]=4 8213 B11R0.4 CC=CC(=O)NCCOCCC 1626a_100161115042_100000210699 [0,2,0,0,0,0|1,0,1]=4 8214 B11R0.4 CC=CC(=O)NCCOCCC 240690a_100161115042_100000210699 [0,2,0,0,0,0|1,0,1]=4 8215 B11R0.4 CC=CC(=O)NCCSCCC 11a_100020603323_100000210699 [0,2,0,0,0,0|1,0,1]=4 8216 B11R0.4 CC=CC(=O)NCCSCCC 240690a_100020603323_100000210699 [0,2,0,0,0,0|1,0,1]=4 8217 B11R0.4 CC=CC(=O)NNCCCCC 22a_100000694160_100000210699 [0,2,0,0,0,0|1,0,1]=4 8218 B11R0.4 CC=CCNCCC(=O)NCC 34a_100025743525_100000070051 [0,2,0,0,0,0|1,0,1]=4 8219 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000070051_100000737597 [0,2,0,0,0,0|1,0,1]=4 8220 B11R0.4 CC=CCSCCC(=O)NCC 62a_100000737597_100000070051 [0,2,0,0,0,0|1,0,1]=4 8221 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000070051_100000765890 [0,2,0,0,0,0|0,0,1]=3 8222 B11R0.4 CC=CCSCCC(=O)OCC 62a_100000765890_100000070051 [0,2,0,0,0,0|0,0,1]=3 8223 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,2,0,0,0,0|0,0,2]=4 8224 B11R0.4 CCC#CCNCC(=O)NCC 2230a_100016988866_100009813939 [0,2,0,0,0,0|1,0,1]=4 8225 B11R0.4 CCC#CCOCC(=O)NCC 34a_100000032950_100000183381 [0,2,0,0,0,0|1,0,1]=4 8226 B11R0.4 CCC#CCOCC(=O)OCC 34a_100000032950_100000188475 [0,2,0,0,0,0|0,0,1]=3 8227 B11R0.4 CCC#CCSCC(=O)CCC 62a_100000747444_100009813939 [0,2,0,0,0,0|1,0,1]=4 8228 B11R0.4 CCC#CCSCC(=O)CCC 62a_100009813939_100000747444 [0,2,0,0,0,0|1,0,1]=4 8229 B11R0.4 CCC#CCSCC(=O)NCC 62a_100000183381_100009813939 [0,2,0,0,0,0|1,0,1]=4 8230 B11R0.4 CCC#CCSCC(=O)NCC 62a_100009813939_100000183381 [0,2,0,0,0,0|1,0,1]=4 8231 B11R0.4 CCC#CCSCC(=O)OCC 62a_100000188475_100009813939 [0,2,0,0,0,0|0,0,1]=3 8232 B11R0.4 CCC#CCSCC(=O)OCC 62a_100009813939_100000188475 [0,2,0,0,0,0|0,0,1]=3 8233 B11R0.4 CCCC(=O)CCCCCC#N 1458a_100000211992_100009813376 [0,2,0,0,0,0|1,0,0]=3 8234 B11R0.4 CCCC(=O)CCCCCCF 1458a_100000211992_100015922095 [0,2,0,0,0,0|1,0,0]=3 8235 B11R0.4 CCCC(=O)CCCCCCO 1458a_100000211992_100000766143 [0,2,0,0,0,0|1,0,0]=3 8236 B11R0.4 CCCC(=O)CCCCCCO 1458a_100011996774_100000210303 [0,2,0,0,0,0|1,0,0]=3 8237 B11R0.4 CCCC(=O)CCCCCOC 1458a_100011935119_100000210303 [0,2,0,0,0,0|1,0,0]=3 8238 B11R0.4 CCCC(=O)CCCCN=[N+]=[N-] 1458a_100000070148_100000210303 [0,2,0,0,0,0|2,0,0]=4 8239 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000211992_100000695917 [0,2,0,0,0,0|1,0,0]=3 8240 B11R0.4 CCCC(=O)CCOCCOC 1458a_100000745395_100000210303 [0,2,0,0,0,0|1,0,0]=3 8241 B11R0.4 CCCC(=O)CNCCCCO 2230a_100000750430_100000747444 [0,2,0,0,0,0|1,0,0]=3 8242 B11R0.4 CCCC(=O)CNCCCSC 2230a_100000749238_100000747444 [0,2,0,0,0,0|1,0,0]=3 8243 B11R0.4 CCCC(=O)CNCCOCC 2230a_102516460346_100000747444 [0,2,0,0,0,0|1,0,0]=3 8244 B11R0.4 CCCC(=O)CNCCSCC 2230a_100000106463_100000747444 [0,2,0,0,0,0|1,0,0]=3 8245 B11R0.4 CCCC(=O)COCCCCCl 7a_100000210776_100000747444 [0,2,0,0,0,0|1,0,0]=3 8246 B11R0.4 CCCC(=O)COCCCCF 7a_100011995726_100000747444 [0,2,0,0,0,0|1,0,0]=3 8247 B11R0.4 CCCC(=O)COCCCSC 7a_100000690336_100000747444 [0,2,0,0,0,0|1,0,0]=3 8248 B11R0.4 CCCC(=O)COCCOCC 7a_100000210136_100000747444 [0,2,0,0,0,0|1,0,0]=3 8249 B11R0.4 CCCC(=O)COCCSCC 7a_100000212035_100000747444 [0,2,0,0,0,0|1,0,0]=3 8250 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000687738_100000747444 [0,2,0,0,0,0|1,0,1]=4 8251 B11R0.4 CCCC(=O)CSCCCC#N 62a_100000747444_100000687738 [0,2,0,0,0,0|1,0,1]=4 8252 B11R0.4 CCCC(=O)CSCCCC=O 62a_100000747444_200011292268 [0,2,0,0,0,0|1,0,1]=4 8253 B11R0.4 CCCC(=O)CSCCCC=O 62a_200011292268_100000747444 [0,2,0,0,0,0|1,0,1]=4 8254 B11R0.4 CCCC(=O)CSCCCCF 62a_100000729493_100000747444 [0,2,0,0,0,0|1,0,0]=3 8255 B11R0.4 CCCC(=O)CSCCCCF 62a_100000747444_100000729493 [0,2,0,0,0,0|1,0,0]=3 8256 B11R0.4 CCCC(=O)CSCCCCO 62a_100000210776_100000747444 [0,2,0,0,0,0|1,0,0]=3 8257 B11R0.4 CCCC(=O)CSCCCCO 62a_100000747444_100000210776 [0,2,0,0,0,0|1,0,0]=3 8258 B11R0.4 CCCC(=O)CSCCCOC 62a_100000709357_100000747444 [0,2,0,0,0,0|1,0,0]=3 8259 B11R0.4 CCCC(=O)CSCCCOC 62a_100000747444_100000709357 [0,2,0,0,0,0|1,0,0]=3 8260 B11R0.4 CCCC(=O)CSCCOCC 62a_100000210147_100000747444 [0,2,0,0,0,0|1,0,0]=3 8261 B11R0.4 CCCC(=O)CSCCOCC 62a_100000747444_100011215890 [0,2,0,0,0,0|1,0,0]=3 8262 B11R0.4 CCCC(=O)CSCCSCC 62a_100000747444_100000757381 [0,2,0,0,0,0|1,0,0]=3 8263 B11R0.4 CCCC(=O)CSCCSCC 62a_100000757381_100000747444 [0,2,0,0,0,0|1,0,0]=3 8264 B11R0.4 CCCC(=O)NCCCCC#N 11a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 8265 B11R0.4 CCCC(=O)NCCCCC#N 1626a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 8266 B11R0.4 CCCC(=O)NCCCCC#N 240690a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 8267 B11R0.4 CCCC(=O)NCCCCC#N 527a_100000751965_100000211992 [0,2,0,0,0,0|1,0,1]=4 8268 B11R0.4 CCCC(=O)NCCCCCO 240690a_100000762737_100000211992 [0,2,0,0,0,0|1,0,0]=3 8269 B11R0.4 CCCC(=O)NCCCOCC 11a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 8270 B11R0.4 CCCC(=O)NCCCOCC 1626a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 8271 B11R0.4 CCCC(=O)NCCCOCC 240690a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 8272 B11R0.4 CCCC(=O)NCCCOCC 527a_100000210961_100000211992 [0,2,0,0,0,0|1,0,0]=3 8273 B11R0.4 CCCC(=O)NCCOCCO 240690a_100000211614_100000211992 [0,2,0,0,0,0|2,0,0]=4 8274 B11R0.4 CCCC(=O)NCCSCCO 240690a_100011219999_100000211992 [0,2,0,0,0,0|2,0,0]=4 8275 B11R0.4 CCCC(=O)NCCSCCO 527a_100011219999_100000211992 [0,2,0,0,0,0|2,0,0]=4 8276 B11R0.4 CCCC(=O)NNCCCOC 22a_100025702787_100000211992 [0,2,0,0,0,0|2,0,0]=4 8277 B11R0.4 CCCC(=O)NNCCOCC 22a_100000732670_100000211992 [0,2,0,0,0,0|2,0,0]=4 8278 B11R0.4 CCCC(=O)OCNCCCF 2230a_100015189416_100000034017 [0,2,0,0,0,0|2,0,0]=4 8279 B11R0.4 CCCC(=O)OCNCCCF 34a_100015189416_100000034017 [0,2,0,0,0,0|2,0,0]=4 8280 B11R0.4 CCCC(=O)OCNCCOC 2230a_100000209980_100000034017 [0,2,0,0,0,0|2,0,0]=4 8281 B11R0.4 CCCC(=O)OCNCCSC 2230a_100020590264_100000034017 [0,2,0,0,0,0|2,0,0]=4 8282 B11R0.4 CCCC(=O)OCOCCCBr 34a_100011217188_100000034017 [0,2,0,0,0,0|2,0,0]=4 8283 B11R0.4 CCCC(=O)OCOCCCCl 34a_100000230001_100000034017 [0,2,0,0,0,0|2,0,0]=4 8284 B11R0.4 CCCC(=O)OCOCCCF 34a_100000759539_100000034017 [0,2,0,0,0,0|2,0,0]=4 8285 B11R0.4 CCCC(=O)OCOCCCN 34a_100000182051_100000034017 [0,2,0,0,0,0|2,0,0]=4 8286 B11R0.4 CCCC(=O)OCOCCOC 34a_100000210237_100000034017 [0,2,0,0,0,0|2,0,0]=4 8287 B11R0.4 CCCC(=O)OCOCCSC 34a_100000230434_100000034017 [0,2,0,0,0,0|2,0,0]=4 8288 B11R0.4 CCCC(=O)OCSCCCF 62a_100011934791_100000034017 [0,2,0,0,0,0|2,0,0]=4 8289 B11R0.4 CCCC(=O)OCSCCCO 62a_100011215043_100000034017 [0,2,0,0,0,0|2,0,0]=4 8290 B11R0.4 CCCC(=O)OCSCCOC 62a_100000233755_100000034017 [0,2,0,0,0,0|2,0,0]=4 8291 B11R0.4 CCCC(=O)OCSCCSC 62a_100000212216_100000034017 [0,2,0,0,0,0|2,0,0]=4 8292 B11R0.4 CCCC(=O)OCSCOCC 62a_100000739092_100000034017 [0,2,0,0,0,0|2,0,0]=4 8293 B11R0.4 CCCC/C=C/CC(=O)CCC 1458a_200016282684_100000210303 [0,2,0,0,0,0|1,0,0]=3 8294 B11R0.4 CCCC/C=C/CC(=O)CCF 1458a_200016282684_100011217306 [0,2,0,0,0,0|2,0,0]=4 8295 B11R0.4 CCCC/C=C/CC(=O)CCO 1458a_200016282684_100000211926 [0,2,0,0,0,0|2,0,0]=4 8296 B11R0.4 CCCC/C=C/CC(=O)NCC 11a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 8297 B11R0.4 CCCC/C=C/CC(=O)NCC 240690a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 8298 B11R0.4 CCCC/C=C/CC(=O)NCC 527a_100015525214_200016282684 [0,2,0,0,0,0|1,0,0]=3 8299 B11R0.4 CCCC/C=C/CC(=O)NNC 22a_100016993582_200016282684 [0,2,0,0,0,0|2,0,0]=4 8300 B11R0.4 CCCCC=NNC(=O)CCC 4a_100000189770_100000210104 [0,2,0,0,0,0|1,0,1]=4 8301 B11R0.4 CCCCCC#CC(=O)CCC 1458a_100011215388_100000210303 [0,2,0,0,0,0|1,0,0]=3 8302 B11R0.4 CCCCCC#CC(=O)CCF 1458a_100011215388_100011217306 [0,2,0,0,0,0|2,0,0]=4 8303 B11R0.4 CCCCCC#CC(=O)CCO 1458a_100011215388_100000211926 [0,2,0,0,0,0|2,0,0]=4 8304 B11R0.4 CCCCCC#CC(=O)NCC 240690a_100015525214_100011215388 [0,2,0,0,0,0|1,0,0]=3 8305 B11R0.4 CCCCCC#CC(=O)NNC 22a_100016993582_100011215388 [0,2,0,0,0,0|2,0,0]=4 8306 B11R0.4 CCCCCC=CC(=O)CCC 1458a_100016263427_100000210303 [0,2,0,0,0,0|1,0,0]=3 8307 B11R0.4 CCCCCC=CC(=O)CCF 1458a_100016263427_100011217306 [0,2,0,0,0,0|2,0,0]=4 8308 B11R0.4 CCCCCC=CC(=O)CCO 1458a_100016263427_100000211926 [0,2,0,0,0,0|2,0,0]=4 8309 B11R0.4 CCCCCC=CC(=O)NCC 11a_100015525214_100016263427 [0,2,0,0,0,0|1,0,0]=3 8310 B11R0.4 CCCCCC=CC(=O)NCC 240690a_100015525214_100016263427 [0,2,0,0,0,0|1,0,0]=3 8311 B11R0.4 CCCCCC=CC(=O)NNC 22a_100016993582_100016263427 [0,2,0,0,0,0|2,0,0]=4 8312 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211969_100000210303 [0,2,0,0,0,0|1,0,0]=3 8313 B11R0.4 CCCCCCCC(=O)CCC 1458a_100000211992_100000210614 [0,2,0,0,0,0|1,0,0]=3 8314 B11R0.4 CCCCCCCC(=O)CCF 1458a_100000211969_100011217306 [0,2,0,0,0,0|2,0,0]=4 8315 B11R0.4 CCCCCCCC(=O)CCO 1458a_100000211969_100000211926 [0,2,0,0,0,0|2,0,0]=4 8316 B11R0.4 CCCCCCCC(=O)CCO 1458a_100011216618_100000210614 [0,2,0,0,0,0|2,0,0]=4 8317 B11R0.4 CCCCCCCC(=O)COC 1458a_100000210968_100000210614 [0,2,0,0,0,0|2,0,0]=4 8318 B11R0.4 CCCCCCCC(=O)CSC 1458a_100000184570_100000210614 [0,2,0,0,0,0|2,0,0]=4 8319 B11R0.4 CCCCCCCC(=O)NCC 11a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 8320 B11R0.4 CCCCCCCC(=O)NCC 240690a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 8321 B11R0.4 CCCCCCCC(=O)NCC 527a_100015525214_100000211969 [0,2,0,0,0,0|1,0,0]=3 8322 B11R0.4 CCCCCCCC(=O)NNC 22a_100016993582_100000211969 [0,2,0,0,0,0|2,0,0]=4 8323 B11R0.4 CCCCCCCC(C)OCC 34a_100121572206_200011218727 [0,2,0,0,0,0|1,0,1]=4 8324 B11R0.4 CCCCCCCC(C)OCC 34a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 8325 B11R0.4 CCCCCCCC(C)OCC 7a_200011215852_100000210202 [0,2,0,0,0,0|1,0,1]=4 8326 B11R0.4 CCCCCCNC(=O)CCC 11a_100000210581_100000211992 [0,2,0,0,0,0|1,0,0]=3 8327 B11R0.4 CCCCCCNC(=O)CCC 1626a_100000210581_100000211992 [0,2,0,0,0,0|1,0,0]=3 8328 B11R0.4 CCCCCCNC(=O)CCC 240690a_100000210581_100000211992 [0,2,0,0,0,0|1,0,0]=3 8329 B11R0.4 CCCCCCNC(=O)CCC 527a_100000210581_100000211992 [0,2,0,0,0,0|1,0,0]=3 8330 B11R0.4 CCCCCCNC(=O)CCO 240690a_100000210581_100011216618 [0,2,0,0,0,0|2,0,0]=4 8331 B11R0.4 CCCCCCNC(=O)CNC 2230a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 8332 B11R0.4 CCCCCCNC(=O)CNC 34a_100102657272_100000230325 [0,2,0,0,0,0|2,0,0]=4 8333 B11R0.4 CCCCCCNC(=O)CNC 7a_106832991635_100000230325 [0,2,0,0,0,0|2,0,0]=4 8334 B11R0.4 CCCCCCNC(=O)COC 11a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 8335 B11R0.4 CCCCCCNC(=O)COC 1626a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 8336 B11R0.4 CCCCCCNC(=O)COC 240690a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 8337 B11R0.4 CCCCCCNC(=O)COC 34a_100138415774_100000230325 [0,2,0,0,0,0|2,0,0]=4 8338 B11R0.4 CCCCCCNC(=O)COC 527a_100000210581_100000210968 [0,2,0,0,0,0|2,0,0]=4 8339 B11R0.4 CCCCCCNC(=O)CSC 11a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 8340 B11R0.4 CCCCCCNC(=O)CSC 1626a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 8341 B11R0.4 CCCCCCNC(=O)CSC 240690a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 8342 B11R0.4 CCCCCCNC(=O)CSC 527a_100000210581_100000184570 [0,2,0,0,0,0|2,0,0]=4 8343 B11R0.4 CCCCCCNC(=O)CSC 62a_100000230325_200000210301 [0,2,0,0,0,0|2,0,0]=4 8344 B11R0.4 CCCCCCNC(=O)CS[13CH3] 62a_100000230325_200025704644 [0,2,0,0,0,0|2,0,0]=4 8345 B11R0.4 CCCCCCNC(=O)NCC 2708a_100000210581_100015525214 [0,2,0,0,0,0|1,0,0]=3 8346 B11R0.4 CCCCCCNC(=O)NCC 2708a_100015525214_100000210581 [0,2,0,0,0,0|1,0,0]=3 8347 B11R0.4 CCCCCCNC(=O)NCC 273464a_100000210581_100015525214 [0,2,0,0,0,0|1,0,0]=3 8348 B11R0.4 CCCCCCNC(=O)NCC 273464a_100015525214_100000210581 [0,2,0,0,0,0|1,0,0]=3 8349 B11R0.4 CCCCCCNC(=O)NCC 512a_100000210581_100015525214 [0,2,0,0,0,0|1,0,0]=3 8350 B11R0.4 CCCCCCNC(=O)NCC 512a_100015525214_100000210581 [0,2,0,0,0,0|1,0,0]=3 8351 B11R0.4 CCCCCCNC(=O)NNC 273464a_100000210581_100016993582 [0,2,0,0,0,0|2,0,0]=4 8352 B11R0.4 CCCCCCNC(=O)NNC 512a_100000210581_100016993582 [0,2,0,0,0,0|2,0,0]=4 8353 B11R0.4 CCCCCCNC(=O)NNC 512a_100016993582_100000210581 [0,2,0,0,0,0|2,0,0]=4 8354 B11R0.4 CCCCCNCC(=O)CCC 2230a_100000209983_100000747444 [0,2,0,0,0,0|1,0,0]=3 8355 B11R0.4 CCCCCNCC(=O)NCC 2230a_100000209983_100000183381 [0,2,0,0,0,0|1,0,0]=3 8356 B11R0.4 CCCCCNCC(=O)NCC 2230a_100016988866_100000210326 [0,2,0,0,0,0|1,0,0]=3 8357 B11R0.4 CCCCCNCC(=O)NCO 2230a_100000209983_100000185155 [0,2,0,0,0,0|2,0,0]=4 8358 B11R0.4 CCCCCNCC(=O)OCC 2230a_100000209983_100000188475 [0,2,0,0,0,0|0,0,0]=2 8359 B11R0.4 CCCCCNN=C(C)CCC 4a_100000694160_100000211909 [0,2,0,0,0,0|2,0,0]=4 8360 B11R0.4 CCCCCNNC(=O)CCC 22a_100000694160_100000211992 [0,2,0,0,0,0|1,0,0]=3 8361 B11R0.4 CCCCCNNC(=O)CCO 22a_100000694160_100011216618 [0,2,0,0,0,0|2,0,0]=4 8362 B11R0.4 CCCCCNNC(=O)COC 22a_100000694160_100000210968 [0,2,0,0,0,0|2,0,0]=4 8363 B11R0.4 CCCCCNNC(=O)CSC 22a_100000694160_100000184570 [0,2,0,0,0,0|2,0,0]=4 8364 B11R0.4 CCCCCNNC(=O)NCC 273464a_100015525214_100000694160 [0,2,0,0,0,0|1,0,0]=3 8365 B11R0.4 CCCCCNNC(=O)NCC 512a_100000694160_100015525214 [0,2,0,0,0,0|1,0,0]=3 8366 B11R0.4 CCCCCNNC(=O)NCC 512a_100015525214_100000694160 [0,2,0,0,0,0|1,0,0]=3 8367 B11R0.4 CCCCCNNC(=O)NNC 512a_100000694160_100016993582 [0,2,0,0,0,0|2,0,0]=4 8368 B11R0.4 CCCCCNNC(=O)NNC 512a_100016993582_100000694160 [0,2,0,0,0,0|2,0,0]=4 8369 B11R0.4 CCCCCOCC(=O)CCC 7a_100000210253_100000747444 [0,2,0,0,0,0|1,0,0]=3 8370 B11R0.4 CCCCCOCC(=O)NCC 34a_100000210253_100000183381 [0,2,0,0,0,0|1,0,0]=3 8371 B11R0.4 CCCCCOCC(=O)NCC 7a_100000210253_100000183381 [0,2,0,0,0,0|1,0,0]=3 8372 B11R0.4 CCCCCOCC(=O)NCO 34a_100000210253_100000185155 [0,2,0,0,0,0|2,0,0]=4 8373 B11R0.4 CCCCCOCC(=O)NCO 7a_100000210253_100000185155 [0,2,0,0,0,0|2,0,0]=4 8374 B11R0.4 CCCCCOCC(=O)OCC 34a_100000210253_100000188475 [0,2,0,0,0,0|0,0,0]=2 8375 B11R0.4 CCCCCOCC(=O)OCC 7a_100000210253_100000188475 [0,2,0,0,0,0|0,0,0]=2 8376 B11R0.4 CCCCCSCC(=O)CCC 62a_100000210326_100000747444 [0,2,0,0,0,0|1,0,0]=3 8377 B11R0.4 CCCCCSCC(=O)CCC 62a_100000747444_100000210326 [0,2,0,0,0,0|1,0,0]=3 8378 B11R0.4 CCCCCSCC(=O)NCC 62a_100000183381_100000210326 [0,2,0,0,0,0|1,0,0]=3 8379 B11R0.4 CCCCCSCC(=O)NCC 62a_100000210326_100000183381 [0,2,0,0,0,0|1,0,0]=3 8380 B11R0.4 CCCCCSCC(=O)NCO 62a_100000185155_100000210326 [0,2,0,0,0,0|2,0,0]=4 8381 B11R0.4 CCCCCSCC(=O)NCO 62a_100000210326_100000185155 [0,2,0,0,0,0|2,0,0]=4 8382 B11R0.4 CCCCCSCC(=O)OCC 62a_100000188475_100000210326 [0,2,0,0,0,0|0,0,0]=2 8383 B11R0.4 CCCCCSCC(=O)OCC 62a_100000210326_100000188475 [0,2,0,0,0,0|0,0,0]=2 8384 B11R0.4 CCCCNCCC(=O)NCC 2230a_100000102301_100000737597 [0,2,0,0,0,0|1,0,0]=3 8385 B11R0.4 CCCCNCCC(=O)NCC 34a_100025743525_100000210210 [0,2,0,0,0,0|1,0,0]=3 8386 B11R0.4 CCCCNCCC(=O)NCC 7a_106832991798_100000737597 [0,2,0,0,0,0|1,0,0]=3 8387 B11R0.4 CCCCNCCC(=O)OCC 2230a_100000102301_100011206558 [0,2,0,0,0,0|0,0,0]=2 8388 B11R0.4 CCCCNCCC(=O)OCC 7a_106832991798_100011206558 [0,2,0,0,0,0|0,0,0]=2 8389 B11R0.4 CCCCNCOC(=O)CCC 2230a_100000102301_100000034017 [0,2,0,0,0,0|1,0,0]=3 8390 B11R0.4 CCCCNN=CC(=O)OCC 4a_100025702795_100000742314 [0,2,0,0,0,0|0,0,1]=3 8391 B11R0.4 CCCCOCCC(=O)CCC 1458a_100000211992_100000743108 [0,2,0,0,0,0|1,0,0]=3 8392 B11R0.4 CCCCOCCC(=O)CCO 1458a_100011216618_100000743108 [0,2,0,0,0,0|2,0,0]=4 8393 B11R0.4 CCCCOCCC(=O)COC 1458a_100000210968_100000743108 [0,2,0,0,0,0|2,0,0]=4 8394 B11R0.4 CCCCOCCC(=O)CSC 1458a_100000184570_100000743108 [0,2,0,0,0,0|2,0,0]=4 8395 B11R0.4 CCCCOCCC(=O)NCC 7a_100000210227_100000737597 [0,2,0,0,0,0|1,0,0]=3 8396 B11R0.4 CCCCOCCC(=O)OCC 34a_100000210227_100000765890 [0,2,0,0,0,0|0,0,0]=2 8397 B11R0.4 CCCCOCCC(=O)OCC 7a_100000210227_100011206558 [0,2,0,0,0,0|0,0,0]=2 8398 B11R0.4 CCCCOCOC(=O)CCC 34a_100000210227_100000034017 [0,2,0,0,0,0|1,0,0]=3 8399 B11R0.4 CCCCSCCC(=O)NCC 62a_100000210211_100000737597 [0,2,0,0,0,0|1,0,0]=3 8400 B11R0.4 CCCCSCCC(=O)NCC 62a_100000737597_100000210210 [0,2,0,0,0,0|1,0,0]=3 8401 B11R0.4 CCCCSCCC(=O)OCC 62a_100000210211_100000765890 [0,2,0,0,0,0|0,0,0]=2 8402 B11R0.4 CCCCSCCC(=O)OCC 62a_100000765890_100000210210 [0,2,0,0,0,0|0,0,0]=2 8403 B11R0.4 CCCCSCOC(=O)CCC 62a_100000210211_100000034017 [0,2,0,0,0,0|1,0,0]=3 8404 B11R0.4 CCCCSCOC(=O)OCC 62a_100000210211_100000075025 [0,2,0,0,0,0|0,0,0]=2 8405 B11R0.4 CCCNN=C[CH-]C(=O)OCC 4a_100000740057_100010622808 [0,2,0,0,0,0|0,0,2]=4 8406 B11R0.4 CCCOC/C=C/C(=O)OCC 34a_100000210258_100016267167 [0,2,0,0,0,0|0,0,1]=3 8407 B11R0.4 CCCOCCCC(=O)OCC 34a_100000210258_100009991533 [0,2,0,0,0,0|0,0,0]=2 8408 B11R0.4 CCCOCCCC(=O)OCC 7a_100012001163_100000210303 [0,2,0,0,0,0|0,0,0]=2 8409 B11R0.4 CCCOCCNC(=O)CCC 1626a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 8410 B11R0.4 CCCOCCNC(=O)CCC 240690a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 8411 B11R0.4 CCCOCCNC(=O)CCC 527a_100161115042_100000211992 [0,2,0,0,0,0|1,0,0]=3 8412 B11R0.4 CCCOCCNC(=O)CCO 240690a_100161115042_100011216618 [0,2,0,0,0,0|2,0,0]=4 8413 B11R0.4 CCCOCCNC(=O)COC 1626a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 8414 B11R0.4 CCCOCCNC(=O)COC 240690a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 8415 B11R0.4 CCCOCCNC(=O)COC 527a_100161115042_100000210968 [0,2,0,0,0,0|2,0,0]=4 8416 B11R0.4 CCCOCCNC(=O)CSC 1626a_100161115042_100000184570 [0,2,0,0,0,0|2,0,0]=4 8417 B11R0.4 CCCOCCNC(=O)CSC 240690a_100161115042_100000184570 [0,2,0,0,0,0|2,0,0]=4 8418 B11R0.4 CCCOCCNC(=O)CSC 527a_100161115042_100000184570 [0,2,0,0,0,0|2,0,0]=4 8419 B11R0.4 CCCOCCNC(=O)NCC 2708a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 8420 B11R0.4 CCCOCCNC(=O)NCC 2708a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 8421 B11R0.4 CCCOCCNC(=O)NCC 273464a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 8422 B11R0.4 CCCOCCNC(=O)NCC 273464a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 8423 B11R0.4 CCCOCCNC(=O)NCC 512a_100015525214_100161115042 [0,2,0,0,0,0|1,0,0]=3 8424 B11R0.4 CCCOCCNC(=O)NCC 512a_100161115042_100015525214 [0,2,0,0,0,0|1,0,0]=3 8425 B11R0.4 CCCOCCNC(=O)NNC 273464a_100161115042_100016993582 [0,2,0,0,0,0|2,0,0]=4 8426 B11R0.4 CCCOCCNC(=O)NNC 512a_100016993582_100161115042 [0,2,0,0,0,0|2,0,0]=4 8427 B11R0.4 CCCOCCNC(=O)NNC 512a_100161115042_100016993582 [0,2,0,0,0,0|2,0,0]=4 8428 B11R0.4 CCCOCCNC(=O)OCC 34a_100000158857_100000210303 [0,2,0,0,0,0|0,0,0]=2 8429 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100000210303_100016267167 [0,2,0,0,0,0|0,0,1]=3 8430 B11R0.4 CCCSC/C=C/C(=O)OCC 62a_100016267167_100000210303 [0,2,0,0,0,0|0,0,1]=3 8431 B11R0.4 CCCSCCCC(=O)OCC 62a_100000210303_100009991533 [0,2,0,0,0,0|0,0,0]=2 8432 B11R0.4 CCCSCCCC(=O)OCC 62a_100009991533_100000210303 [0,2,0,0,0,0|0,0,0]=2 8433 B11R0.4 CCCSCCNC(=O)CCC 11a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 8434 B11R0.4 CCCSCCNC(=O)CCC 240690a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 8435 B11R0.4 CCCSCCNC(=O)CCC 527a_100020603323_100000211992 [0,2,0,0,0,0|1,0,0]=3 8436 B11R0.4 CCCSCCNC(=O)CCO 240690a_100020603323_100011216618 [0,2,0,0,0,0|2,0,0]=4 8437 B11R0.4 CCCSCCNC(=O)COC 11a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 8438 B11R0.4 CCCSCCNC(=O)COC 240690a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 8439 B11R0.4 CCCSCCNC(=O)COC 527a_100020603323_100000210968 [0,2,0,0,0,0|2,0,0]=4 8440 B11R0.4 CCCSCCNC(=O)CSC 11a_100020603323_100000184570 [0,2,0,0,0,0|2,0,0]=4 8441 B11R0.4 CCCSCCNC(=O)CSC 240690a_100020603323_100000184570 [0,2,0,0,0,0|2,0,0]=4 8442 B11R0.4 CCCSCCNC(=O)CSC 527a_100020603323_100000184570 [0,2,0,0,0,0|2,0,0]=4 8443 B11R0.4 CCCSCCNC(=O)NCC 2708a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 8444 B11R0.4 CCCSCCNC(=O)NCC 2708a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 8445 B11R0.4 CCCSCCNC(=O)NCC 273464a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 8446 B11R0.4 CCCSCCNC(=O)NCC 273464a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 8447 B11R0.4 CCCSCCNC(=O)NCC 512a_100015525214_100020603323 [0,2,0,0,0,0|1,0,0]=3 8448 B11R0.4 CCCSCCNC(=O)NCC 512a_100020603323_100015525214 [0,2,0,0,0,0|1,0,0]=3 8449 B11R0.4 CCCSCCNC(=O)NNC 273464a_100020603323_100016993582 [0,2,0,0,0,0|2,0,0]=4 8450 B11R0.4 CCCSCCNC(=O)NNC 512a_100016993582_100020603323 [0,2,0,0,0,0|2,0,0]=4 8451 B11R0.4 CCCSCCNC(=O)NNC 512a_100020603323_100016993582 [0,2,0,0,0,0|2,0,0]=4 8452 B11R0.4 CCCSCCNC(=O)OCC 62a_100000210303_200011445536 [0,2,0,0,0,0|0,0,0]=2 8453 B11R0.4 CCNC(=O)CCCCCCO 240690a_100015525214_100011996774 [0,2,0,0,0,0|1,0,0]=3 8454 B11R0.4 CCNC(=O)CCCCCOC 11a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 8455 B11R0.4 CCNC(=O)CCCCCOC 240690a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 8456 B11R0.4 CCNC(=O)CCCCCOC 527a_100015525214_100011935119 [0,2,0,0,0,0|1,0,0]=3 8457 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 11a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 8458 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 240690a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 8459 B11R0.4 CCNC(=O)CCCCN=[N+]=[N-] 527a_100015525214_100000070148 [0,2,0,0,0,0|2,0,0]=4 8460 B11R0.4 CCNC(=O)CCNCCCF 2230a_100015189416_100000737597 [0,2,0,0,0,0|1,0,0]=3 8461 B11R0.4 CCNC(=O)CCNCCCF 34a_100025743525_100011934791 [0,2,0,0,0,0|1,0,0]=3 8462 B11R0.4 CCNC(=O)CCNCCCO 34a_100025743525_100000230001 [0,2,0,0,0,0|1,0,0]=3 8463 B11R0.4 CCNC(=O)CCNCCOC 2230a_100000209980_100000737597 [0,2,0,0,0,0|1,0,0]=3 8464 B11R0.4 CCNC(=O)CCNCCOC 34a_100025743525_100011201679 [0,2,0,0,0,0|1,0,0]=3 8465 B11R0.4 CCNC(=O)CCNCCSC 2230a_100020590264_100000737597 [0,2,0,0,0,0|1,0,0]=3 8466 B11R0.4 CCNC(=O)CCNCCSC 34a_100025743525_100000212216 [0,2,0,0,0,0|1,0,0]=3 8467 B11R0.4 CCNC(=O)CCOCCOC 11a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 8468 B11R0.4 CCNC(=O)CCOCCOC 240690a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 8469 B11R0.4 CCNC(=O)CCOCCOC 527a_100015525214_100000745395 [0,2,0,0,0,0|1,0,0]=3 8470 B11R0.4 CCNC(=O)CCOCCSC 7a_100000230434_100000737597 [0,2,0,0,0,0|1,0,0]=3 8471 B11R0.4 CCNC(=O)CCSCCC#N 62a_100000737597_100011215226 [0,2,0,0,0,0|1,0,1]=4 8472 B11R0.4 CCNC(=O)CCSCCC#N 62a_100011215226_100000737597 [0,2,0,0,0,0|1,0,1]=4 8473 B11R0.4 CCNC(=O)CCSCCCF 62a_100000737597_100011934791 [0,2,0,0,0,0|1,0,0]=3 8474 B11R0.4 CCNC(=O)CCSCCCF 62a_100011934791_100000737597 [0,2,0,0,0,0|1,0,0]=3 8475 B11R0.4 CCNC(=O)CCSCCCO 62a_100000737597_100011215043 [0,2,0,0,0,0|1,0,0]=3 8476 B11R0.4 CCNC(=O)CCSCCCO 62a_100011215043_100000737597 [0,2,0,0,0,0|1,0,0]=3 8477 B11R0.4 CCNC(=O)CCSCCOC 62a_100000233755_100000737597 [0,2,0,0,0,0|1,0,0]=3 8478 B11R0.4 CCNC(=O)CCSCCOC 62a_100000737597_100000233755 [0,2,0,0,0,0|1,0,0]=3 8479 B11R0.4 CCNC(=O)CCSCCSC 62a_100000212216_100000737597 [0,2,0,0,0,0|1,0,0]=3 8480 B11R0.4 CCNC(=O)CCSCCSC 62a_100000737597_100000751147 [0,2,0,0,0,0|1,0,0]=3 8481 B11R0.4 CCNC(=O)CCSCOCC 62a_100000737597_100000739092 [0,2,0,0,0,0|1,0,0]=3 8482 B11R0.4 CCNC(=O)CCSCOCC 62a_100000739092_100000737597 [0,2,0,0,0,0|1,0,0]=3 8483 B11R0.4 CCNC(=O)CNCCCC#N 2230a_100016988866_100000687738 [0,2,0,0,0,0|1,0,1]=4 8484 B11R0.4 CCNC(=O)CNCCCC=O 2230a_100016988866_200011292268 [0,2,0,0,0,0|1,0,1]=4 8485 B11R0.4 CCNC(=O)CNCCCCF 2230a_100016988866_100000729493 [0,2,0,0,0,0|1,0,0]=3 8486 B11R0.4 CCNC(=O)CNCCCCO 2230a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 8487 B11R0.4 CCNC(=O)CNCCCCO 2230a_100016988866_100000210776 [0,2,0,0,0,0|1,0,0]=3 8488 B11R0.4 CCNC(=O)CNCCCCO 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 8489 B11R0.4 CCNC(=O)CNCCCOC 2230a_100016988866_100000740836 [0,2,0,0,0,0|1,0,0]=3 8490 B11R0.4 CCNC(=O)CNCCCOC 34a_100150723488_100000183381 [0,2,0,0,0,0|1,0,0]=3 8491 B11R0.4 CCNC(=O)CNCCCSC 2230a_100000749238_100000183381 [0,2,0,0,0,0|1,0,0]=3 8492 B11R0.4 CCNC(=O)CNCCOCC 2230a_100016988866_100011215890 [0,2,0,0,0,0|1,0,0]=3 8493 B11R0.4 CCNC(=O)CNCCOCC 2230a_102516460346_100000183381 [0,2,0,0,0,0|1,0,0]=3 8494 B11R0.4 CCNC(=O)CNCCOCC 34a_102516460346_100000183381 [0,2,0,0,0,0|1,0,0]=3 8495 B11R0.4 CCNC(=O)CNCCSCC 2230a_100000106463_100000183381 [0,2,0,0,0,0|1,0,0]=3 8496 B11R0.4 CCNC(=O)CNCCSCC 2230a_100016988866_100000757381 [0,2,0,0,0,0|1,0,0]=3 8497 B11R0.4 CCNC(=O)COCCCCBr 34a_100011216708_100000183381 [0,2,0,0,0,0|1,0,0]=3 8498 B11R0.4 CCNC(=O)COCCCCCl 34a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 8499 B11R0.4 CCNC(=O)COCCCCCl 7a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 8500 B11R0.4 CCNC(=O)COCCCCF 34a_100011995726_100000183381 [0,2,0,0,0,0|1,0,0]=3 8501 B11R0.4 CCNC(=O)COCCCCF 7a_100011995726_100000183381 [0,2,0,0,0,0|1,0,0]=3 8502 B11R0.4 CCNC(=O)COCCCCI 34a_200012148704_100000183381 [0,2,0,0,0,0|1,0,0]=3 8503 B11R0.4 CCNC(=O)COCCCCN 34a_100000750430_100000183381 [0,2,0,0,0,0|1,0,0]=3 8504 B11R0.4 CCNC(=O)COCCCNC 34a_100000213112_100000183381 [0,2,0,0,0,0|1,0,0]=3 8505 B11R0.4 CCNC(=O)COCCCOC 34a_100000740835_100000183381 [0,2,0,0,0,0|1,0,0]=3 8506 B11R0.4 CCNC(=O)COCCCSC 34a_100000690336_100000183381 [0,2,0,0,0,0|1,0,0]=3 8507 B11R0.4 CCNC(=O)COCCCSC 7a_100000690336_100000183381 [0,2,0,0,0,0|1,0,0]=3 8508 B11R0.4 CCNC(=O)COCCOCC 34a_100000210136_100000183381 [0,2,0,0,0,0|1,0,0]=3 8509 B11R0.4 CCNC(=O)COCCOCC 7a_100000210136_100000183381 [0,2,0,0,0,0|1,0,0]=3 8510 B11R0.4 CCNC(=O)COCCSCC 34a_100000212035_100000183381 [0,2,0,0,0,0|1,0,0]=3 8511 B11R0.4 CCNC(=O)COCCSCC 7a_100000212035_100000183381 [0,2,0,0,0,0|1,0,0]=3 8512 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000183381_100000687738 [0,2,0,0,0,0|1,0,1]=4 8513 B11R0.4 CCNC(=O)CSCCCC#N 62a_100000687738_100000183381 [0,2,0,0,0,0|1,0,1]=4 8514 B11R0.4 CCNC(=O)CSCCCC=O 62a_100000183381_200011292268 [0,2,0,0,0,0|1,0,1]=4 8515 B11R0.4 CCNC(=O)CSCCCC=O 62a_200011292268_100000183381 [0,2,0,0,0,0|1,0,1]=4 8516 B11R0.4 CCNC(=O)CSCCCCF 62a_100000183381_100000729493 [0,2,0,0,0,0|1,0,0]=3 8517 B11R0.4 CCNC(=O)CSCCCCF 62a_100000729493_100000183381 [0,2,0,0,0,0|1,0,0]=3 8518 B11R0.4 CCNC(=O)CSCCCCO 62a_100000183381_100000210776 [0,2,0,0,0,0|1,0,0]=3 8519 B11R0.4 CCNC(=O)CSCCCCO 62a_100000210776_100000183381 [0,2,0,0,0,0|1,0,0]=3 8520 B11R0.4 CCNC(=O)CSCCCOC 62a_100000183381_100000709357 [0,2,0,0,0,0|1,0,0]=3 8521 B11R0.4 CCNC(=O)CSCCCOC 62a_100000709357_100000183381 [0,2,0,0,0,0|1,0,0]=3 8522 B11R0.4 CCNC(=O)CSCCOCC 62a_100000183381_100011215890 [0,2,0,0,0,0|1,0,0]=3 8523 B11R0.4 CCNC(=O)CSCCOCC 62a_100000210147_100000183381 [0,2,0,0,0,0|1,0,0]=3 8524 B11R0.4 CCNC(=O)CSCCSCC 62a_100000183381_100000757381 [0,2,0,0,0,0|1,0,0]=3 8525 B11R0.4 CCNC(=O)CSCCSCC 62a_100000757381_100000183381 [0,2,0,0,0,0|1,0,0]=3 8526 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 8527 B11R0.4 CCNC(=O)NCCCCC#N 2708a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 8528 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 8529 B11R0.4 CCNC(=O)NCCCCC#N 273464a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 8530 B11R0.4 CCNC(=O)NCCCCC#N 512a_100000751965_100015525214 [0,2,0,0,0,0|1,0,1]=4 8531 B11R0.4 CCNC(=O)NCCCCC#N 512a_100015525214_100000751965 [0,2,0,0,0,0|1,0,1]=4 8532 B11R0.4 CCNC(=O)NCCCCCO 2708a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 8533 B11R0.4 CCNC(=O)NCCCCCO 273464a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 8534 B11R0.4 CCNC(=O)NCCCCCO 273464a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 8535 B11R0.4 CCNC(=O)NCCCCCO 512a_100000762737_100015525214 [0,2,0,0,0,0|1,0,0]=3 8536 B11R0.4 CCNC(=O)NCCCCCO 512a_100015525214_100000762737 [0,2,0,0,0,0|1,0,0]=3 8537 B11R0.4 CCNC(=O)NCCCOCC 2708a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 8538 B11R0.4 CCNC(=O)NCCCOCC 2708a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 8539 B11R0.4 CCNC(=O)NCCCOCC 273464a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 8540 B11R0.4 CCNC(=O)NCCCOCC 273464a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 8541 B11R0.4 CCNC(=O)NCCCOCC 512a_100000210961_100015525214 [0,2,0,0,0,0|1,0,0]=3 8542 B11R0.4 CCNC(=O)NCCCOCC 512a_100015525214_100000210961 [0,2,0,0,0,0|1,0,0]=3 8543 B11R0.4 CCNC(=O)NCCOCCO 2708a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 8544 B11R0.4 CCNC(=O)NCCOCCO 273464a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 8545 B11R0.4 CCNC(=O)NCCOCCO 273464a_100015525214_100000211614 [0,2,0,0,0,0|2,0,0]=4 8546 B11R0.4 CCNC(=O)NCCOCCO 512a_100000211614_100015525214 [0,2,0,0,0,0|2,0,0]=4 8547 B11R0.4 CCNC(=O)NCCSCCO 2708a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 8548 B11R0.4 CCNC(=O)NCCSCCO 273464a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 8549 B11R0.4 CCNC(=O)NCCSCCO 273464a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 8550 B11R0.4 CCNC(=O)NCCSCCO 512a_100011219999_100015525214 [0,2,0,0,0,0|2,0,0]=4 8551 B11R0.4 CCNC(=O)NCCSCCO 512a_100015525214_100011219999 [0,2,0,0,0,0|2,0,0]=4 8552 B11R0.4 CCNC(=O)NNCCCOC 273464a_100015525214_100025702787 [0,2,0,0,0,0|2,0,0]=4 8553 B11R0.4 CCNC(=O)NNCCCOC 512a_100015525214_100025702787 [0,2,0,0,0,0|2,0,0]=4 8554 B11R0.4 CCNC(=O)NNCCOCC 273464a_100015525214_100000732670 [0,2,0,0,0,0|2,0,0]=4 8555 B11R0.4 CCNC(=O)NNCCOCC 512a_100000732670_100015525214 [0,2,0,0,0,0|2,0,0]=4 8556 B11R0.4 CCNC(=O)NNCCOCC 512a_100015525214_100000732670 [0,2,0,0,0,0|2,0,0]=4 8557 B11R0.4 CCNCCCCC(=O)OCC 2230a_100015525214_100000750268 [0,2,0,0,0,0|0,0,0]=2 8558 B11R0.4 CCNCCOCC(=O)OCC 2230a_100015525214_100000088970 [0,2,0,0,0,0|0,0,0]=2 8559 B11R0.4 CCOC(=O)/C=C/CNCCF 34a_100000724931_100016267167 [0,2,0,0,0,0|0,0,2]=4 8560 B11R0.4 CCOC(=O)/C=C/CNCCO 2230a_100016997473_100016267167 [0,2,0,0,0,0|0,0,2]=4 8561 B11R0.4 CCOC(=O)/C=C/CNCCO 34a_100016990907_100016267167 [0,2,0,0,0,0|0,0,2]=4 8562 B11R0.4 CCOC(=O)/C=C/COCCBr 34a_100000211926_100016267167 [0,2,0,0,0,0|0,0,2]=4 8563 B11R0.4 CCOC(=O)/C=C/COCCN 34a_100000210304_100016267167 [0,2,0,0,0,0|0,0,2]=4 8564 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100011217306_100016267167 [0,2,0,0,0,0|0,0,2]=4 8565 B11R0.4 CCOC(=O)/C=C/CSCCF 62a_100016267167_100011217306 [0,2,0,0,0,0|0,0,2]=4 8566 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100000211926_100016267167 [0,2,0,0,0,0|0,0,2]=4 8567 B11R0.4 CCOC(=O)/C=C/CSCCO 62a_100016267167_100000211926 [0,2,0,0,0,0|0,0,2]=4 8568 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100000766300_100016267167 [0,2,0,0,0,0|0,0,2]=4 8569 B11R0.4 CCOC(=O)/C=C/CSCOC 62a_100016267167_100000766300 [0,2,0,0,0,0|0,0,2]=4 8570 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100011218213_100016267167 [0,2,0,0,0,0|0,0,2]=4 8571 B11R0.4 CCOC(=O)/C=C/CSCSC 62a_100016267167_100011218213 [0,2,0,0,0,0|0,0,2]=4 8572 B11R0.4 CCOC(=O)CCCCCNC 2230a_106832991635_100000755133 [0,2,0,0,0,0|0,0,0]=2 8573 B11R0.4 CCOC(=O)CCCCCNC 34a_100102657272_100000755133 [0,2,0,0,0,0|0,0,0]=2 8574 B11R0.4 CCOC(=O)CCCCCNC 7a_106832991635_100000755133 [0,2,0,0,0,0|0,0,0]=2 8575 B11R0.4 CCOC(=O)CCCCCOC 34a_100138415774_100000755133 [0,2,0,0,0,0|0,0,0]=2 8576 B11R0.4 CCOC(=O)CCCCCOC 7a_100011214988_200000210301 [0,2,0,0,0,0|0,0,0]=2 8577 B11R0.4 CCOC(=O)CCCCCO[13CH3] 7a_100011214988_200025704644 [0,2,0,0,0,0|0,0,0]=2 8578 B11R0.4 CCOC(=O)CCCCCSC 62a_100000755133_200000210301 [0,2,0,0,0,0|0,0,0]=2 8579 B11R0.4 CCOC(=O)CCCCCSC 62a_200000210301_100000755133 [0,2,0,0,0,0|0,0,0]=2 8580 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_100000755133_200025704644 [0,2,0,0,0,0|0,0,0]=2 8581 B11R0.4 CCOC(=O)CCCCCS[13CH3] 62a_200025704644_100000755133 [0,2,0,0,0,0|0,0,0]=2 8582 B11R0.4 CCOC(=O)CCCCSCC 62a_100000210202_100000750268 [0,2,0,0,0,0|0,0,0]=2 8583 B11R0.4 CCOC(=O)CCCCSCC 62a_100000750268_100000210202 [0,2,0,0,0,0|0,0,0]=2 8584 B11R0.4 CCOC(=O)CCCCSCF 62a_100000750268_100015361967 [0,2,0,0,0,0|0,0,0]=2 8585 B11R0.4 CCOC(=O)CCCCSCF 62a_100015361967_100000750268 [0,2,0,0,0,0|0,0,0]=2 8586 B11R0.4 CCOC(=O)CCCNCCF 34a_100000724931_100009991533 [0,2,0,0,0,0|0,0,0]=2 8587 B11R0.4 CCOC(=O)CCCNCCO 2230a_100016997473_100009991533 [0,2,0,0,0,0|0,0,0]=2 8588 B11R0.4 CCOC(=O)CCCNCCO 34a_100016990907_100009991533 [0,2,0,0,0,0|0,0,0]=2 8589 B11R0.4 CCOC(=O)CCCOCC#N 7a_100012001163_100011215382 [0,2,0,0,0,0|0,0,1]=3 8590 B11R0.4 CCOC(=O)CCCOCC=O 7a_100012001163_200015260668 [0,2,0,0,0,0|0,0,1]=3 8591 B11R0.4 CCOC(=O)CCCOCCBr 34a_100000211926_100009991533 [0,2,0,0,0,0|0,0,0]=2 8592 B11R0.4 CCOC(=O)CCCOCCF 7a_100012001163_100011217306 [0,2,0,0,0,0|0,0,0]=2 8593 B11R0.4 CCOC(=O)CCCOCCN 34a_100000210304_100009991533 [0,2,0,0,0,0|0,0,0]=2 8594 B11R0.4 CCOC(=O)CCCOCCO 7a_100012001163_100000211926 [0,2,0,0,0,0|0,0,0]=2 8595 B11R0.4 CCOC(=O)CCCSCC#N 62a_100009991533_100011215382 [0,2,0,0,0,0|0,0,1]=3 8596 B11R0.4 CCOC(=O)CCCSCC#N 62a_100011215382_100009991533 [0,2,0,0,0,0|0,0,1]=3 8597 B11R0.4 CCOC(=O)CCCSCC=O 62a_100009991533_200015260668 [0,2,0,0,0,0|0,0,1]=3 8598 B11R0.4 CCOC(=O)CCCSCC=O 62a_200015260668_100009991533 [0,2,0,0,0,0|0,0,1]=3 8599 B11R0.4 CCOC(=O)CCCSCCF 62a_100009991533_100011217306 [0,2,0,0,0,0|0,0,0]=2 8600 B11R0.4 CCOC(=O)CCCSCCF 62a_100011217306_100009991533 [0,2,0,0,0,0|0,0,0]=2 8601 B11R0.4 CCOC(=O)CCCSCCO 62a_100000211926_100009991533 [0,2,0,0,0,0|0,0,0]=2 8602 B11R0.4 CCOC(=O)CCCSCCO 62a_100009991533_100000211926 [0,2,0,0,0,0|0,0,0]=2 8603 B11R0.4 CCOC(=O)CCCSCOC 62a_100000766300_100009991533 [0,2,0,0,0,0|0,0,0]=2 8604 B11R0.4 CCOC(=O)CCCSCOC 62a_100009991533_100000766300 [0,2,0,0,0,0|0,0,0]=2 8605 B11R0.4 CCOC(=O)CCCSCSC 62a_100009991533_100011218213 [0,2,0,0,0,0|0,0,0]=2 8606 B11R0.4 CCOC(=O)CCCSCSC 62a_100011218213_100009991533 [0,2,0,0,0,0|0,0,0]=2 8607 B11R0.4 CCOC(=O)CCNCCCF 2230a_100015189416_100011206558 [0,2,0,0,0,0|0,0,0]=2 8608 B11R0.4 CCOC(=O)CCNCCCF 34a_100015189416_100000765890 [0,2,0,0,0,0|0,0,0]=2 8609 B11R0.4 CCOC(=O)CCNCCOC 2230a_100000209980_100011206558 [0,2,0,0,0,0|0,0,0]=2 8610 B11R0.4 CCOC(=O)CCNCCSC 2230a_100020590264_100011206558 [0,2,0,0,0,0|0,0,0]=2 8611 B11R0.4 CCOC(=O)CCOCCCBr 34a_100011217188_100000765890 [0,2,0,0,0,0|0,0,0]=2 8612 B11R0.4 CCOC(=O)CCOCCCCl 34a_100000230001_100000765890 [0,2,0,0,0,0|0,0,0]=2 8613 B11R0.4 CCOC(=O)CCOCCCF 34a_100000759539_100000765890 [0,2,0,0,0,0|0,0,0]=2 8614 B11R0.4 CCOC(=O)CCOCCCN 34a_100000182051_100000765890 [0,2,0,0,0,0|0,0,0]=2 8615 B11R0.4 CCOC(=O)CCOCCOC 34a_100000210237_100000765890 [0,2,0,0,0,0|0,0,0]=2 8616 B11R0.4 CCOC(=O)CCOCCON 34a_100000700252_100000765890 [0,2,0,0,0,0|1,0,0]=3 8617 B11R0.4 CCOC(=O)CCOCCSC 34a_100000230434_100000765890 [0,2,0,0,0,0|0,0,0]=2 8618 B11R0.4 CCOC(=O)CCOCCSC 7a_100000230434_100011206558 [0,2,0,0,0,0|0,0,0]=2 8619 B11R0.4 CCOC(=O)CCSCCC#N 62a_100000765890_100011215226 [0,2,0,0,0,0|0,0,1]=3 8620 B11R0.4 CCOC(=O)CCSCCC#N 62a_100011215226_100000765890 [0,2,0,0,0,0|0,0,1]=3 8621 B11R0.4 CCOC(=O)CCSCCCF 62a_100000765890_100011934791 [0,2,0,0,0,0|0,0,0]=2 8622 B11R0.4 CCOC(=O)CCSCCCF 62a_100011934791_100000765890 [0,2,0,0,0,0|0,0,0]=2 8623 B11R0.4 CCOC(=O)CCSCCCO 62a_100000765890_100011215043 [0,2,0,0,0,0|0,0,0]=2 8624 B11R0.4 CCOC(=O)CCSCCCO 62a_100011215043_100000765890 [0,2,0,0,0,0|0,0,0]=2 8625 B11R0.4 CCOC(=O)CCSCCOC 62a_100000233755_100000765890 [0,2,0,0,0,0|0,0,0]=2 8626 B11R0.4 CCOC(=O)CCSCCOC 62a_100000765890_100000233755 [0,2,0,0,0,0|0,0,0]=2 8627 B11R0.4 CCOC(=O)CCSCCSC 62a_100000212216_100000765890 [0,2,0,0,0,0|0,0,0]=2 8628 B11R0.4 CCOC(=O)CCSCCSC 62a_100000765890_100000751147 [0,2,0,0,0,0|0,0,0]=2 8629 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000211825_100000765890 [0,2,0,0,0,0|1,0,1]=4 8630 B11R0.4 CCOC(=O)CCSCSC#N 62a_100000765890_100000211825 [0,2,0,0,0,0|1,0,1]=4 8631 B11R0.4 CCOC(=O)CNCCCCO 2230a_100000750430_100000188475 [0,2,0,0,0,0|0,0,0]=2 8632 B11R0.4 CCOC(=O)CNCCCCO 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,0]=2 8633 B11R0.4 CCOC(=O)CNCCCOC 34a_100150723488_100000188475 [0,2,0,0,0,0|0,0,0]=2 8634 B11R0.4 CCOC(=O)CNCCCSC 2230a_100000749238_100000188475 [0,2,0,0,0,0|0,0,0]=2 8635 B11R0.4 CCOC(=O)CNCCSCC 2230a_100000106463_100000188475 [0,2,0,0,0,0|0,0,0]=2 8636 B11R0.4 CCOC(=O)COCC#CCCl 34a_200000047223_100000188475 [0,2,0,0,0,0|0,0,2]=4 8637 B11R0.4 CCOC(=O)COCCCCBr 34a_100011216708_100000188475 [0,2,0,0,0,0|0,0,0]=2 8638 B11R0.4 CCOC(=O)COCCCCCl 34a_100000210776_100000188475 [0,2,0,0,0,0|0,0,0]=2 8639 B11R0.4 CCOC(=O)COCCCCCl 7a_100000210776_100000188475 [0,2,0,0,0,0|0,0,0]=2 8640 B11R0.4 CCOC(=O)COCCCCF 34a_100011995726_100000188475 [0,2,0,0,0,0|0,0,0]=2 8641 B11R0.4 CCOC(=O)COCCCCF 7a_100011995726_100000188475 [0,2,0,0,0,0|0,0,0]=2 8642 B11R0.4 CCOC(=O)COCCCCI 34a_200012148704_100000188475 [0,2,0,0,0,0|0,0,0]=2 8643 B11R0.4 CCOC(=O)COCCCCN 34a_100000750430_100000188475 [0,2,0,0,0,0|0,0,0]=2 8644 B11R0.4 CCOC(=O)COCCCNC 2230a_106832991635_100009893628 [0,2,0,0,0,0|0,0,0]=2 8645 B11R0.4 CCOC(=O)COCCCNC 34a_100000213112_100000188475 [0,2,0,0,0,0|0,0,0]=2 8646 B11R0.4 CCOC(=O)COCCCNC 34a_100102657272_100009893628 [0,2,0,0,0,0|0,0,0]=2 8647 B11R0.4 CCOC(=O)COCCCNC 7a_106832991635_100009893628 [0,2,0,0,0,0|0,0,0]=2 8648 B11R0.4 CCOC(=O)COCCCOC 34a_100000740835_100000188475 [0,2,0,0,0,0|0,0,0]=2 8649 B11R0.4 CCOC(=O)COCCCOC 34a_100138415774_100009893628 [0,2,0,0,0,0|0,0,0]=2 8650 B11R0.4 CCOC(=O)COCCCSC 34a_100000690336_100000188475 [0,2,0,0,0,0|0,0,0]=2 8651 B11R0.4 CCOC(=O)COCCCSC 62a_100009893628_200000210301 [0,2,0,0,0,0|0,0,0]=2 8652 B11R0.4 CCOC(=O)COCCCSC 62a_200000210301_100009893628 [0,2,0,0,0,0|0,0,0]=2 8653 B11R0.4 CCOC(=O)COCCCSC 7a_100000690336_100000188475 [0,2,0,0,0,0|0,0,0]=2 8654 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_100009893628_200025704644 [0,2,0,0,0,0|0,0,0]=2 8655 B11R0.4 CCOC(=O)COCCCS[13CH3] 62a_200025704644_100009893628 [0,2,0,0,0,0|0,0,0]=2 8656 B11R0.4 CCOC(=O)COCCSCC 34a_100000212035_100000188475 [0,2,0,0,0,0|0,0,0]=2 8657 B11R0.4 CCOC(=O)COCCSCC 62a_100000088970_100000210202 [0,2,0,0,0,0|0,0,0]=2 8658 B11R0.4 CCOC(=O)COCCSCC 62a_100000210202_100000088970 [0,2,0,0,0,0|0,0,0]=2 8659 B11R0.4 CCOC(=O)COCCSCC 7a_100000212035_100000188475 [0,2,0,0,0,0|0,0,0]=2 8660 B11R0.4 CCOC(=O)COCCSCF 62a_100000088970_100015361967 [0,2,0,0,0,0|1,0,0]=3 8661 B11R0.4 CCOC(=O)COCCSCF 62a_100015361967_100000088970 [0,2,0,0,0,0|1,0,0]=3 8662 B11R0.4 CCOC(=O)CSCC#CCO 62a_100000188475_200000047223 [0,2,0,0,0,0|0,0,2]=4 8663 B11R0.4 CCOC(=O)CSCC#CCO 62a_200000047223_100000188475 [0,2,0,0,0,0|0,0,2]=4 8664 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000188475_100000687738 [0,2,0,0,0,0|0,0,1]=3 8665 B11R0.4 CCOC(=O)CSCCCC#N 62a_100000687738_100000188475 [0,2,0,0,0,0|0,0,1]=3 8666 B11R0.4 CCOC(=O)CSCCCC=O 62a_100000188475_200011292268 [0,2,0,0,0,0|0,0,1]=3 8667 B11R0.4 CCOC(=O)CSCCCC=O 62a_200011292268_100000188475 [0,2,0,0,0,0|0,0,1]=3 8668 B11R0.4 CCOC(=O)CSCCCCF 62a_100000188475_100000729493 [0,2,0,0,0,0|0,0,0]=2 8669 B11R0.4 CCOC(=O)CSCCCCF 62a_100000729493_100000188475 [0,2,0,0,0,0|0,0,0]=2 8670 B11R0.4 CCOC(=O)CSCCCCO 62a_100000188475_100000210776 [0,2,0,0,0,0|0,0,0]=2 8671 B11R0.4 CCOC(=O)CSCCCCO 62a_100000210776_100000188475 [0,2,0,0,0,0|0,0,0]=2 8672 B11R0.4 CCOC(=O)CSCCCOC 62a_100000188475_100000709357 [0,2,0,0,0,0|0,0,0]=2 8673 B11R0.4 CCOC(=O)CSCCCOC 62a_100000709357_100000188475 [0,2,0,0,0,0|0,0,0]=2 8674 B11R0.4 CCOC(=O)CSCCOCF 7a_200000230590_100015361967 [0,2,0,0,0,0|1,0,0]=3 8675 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000034367_100000188475 [0,2,0,0,0,0|1,0,1]=4 8676 B11R0.4 CCOC(=O)CSCCSC#N 62a_100000188475_100000034367 [0,2,0,0,0,0|1,0,1]=4 8677 B11R0.4 CCOC(=O)CSCCSCC 62a_100000188475_100000757381 [0,2,0,0,0,0|0,0,0]=2 8678 B11R0.4 CCOC(=O)CSCCSCC 62a_100000757381_100000188475 [0,2,0,0,0,0|0,0,0]=2 8679 B11R0.4 CCOC(=O)NCCOCC=O 34a_100000158857_200009817547 [0,2,0,0,0,0|1,0,1]=4 8680 B11R0.4 CCOC(=O)NCCOCCF 34a_100000158857_100011217306 [0,2,0,0,0,0|1,0,0]=3 8681 B11R0.4 CCOC(=O)NCCOCCO 34a_100000158857_100000211926 [0,2,0,0,0,0|1,0,0]=3 8682 B11R0.4 CCOC(=O)NCCOCSC 34a_100000158857_100011218213 [0,2,0,0,0,0|1,0,0]=3 8683 B11R0.4 CCOC(=O)NCCSCC#N 62a_100011215382_200011445536 [0,2,0,0,0,0|1,0,1]=4 8684 B11R0.4 CCOC(=O)NCCSCC=O 62a_200015260668_200011445536 [0,2,0,0,0,0|1,0,1]=4 8685 B11R0.4 CCOC(=O)NCCSCCF 62a_100011217306_200011445536 [0,2,0,0,0,0|1,0,0]=3 8686 B11R0.4 CCOC(=O)NCCSCCO 62a_100000211926_200011445536 [0,2,0,0,0,0|1,0,0]=3 8687 B11R0.4 CCOC(=O)NCCSCOC 62a_100000766300_200011445536 [0,2,0,0,0,0|1,0,0]=3 8688 B11R0.4 CCOC(=O)NCCSCSC 62a_100011218213_200011445536 [0,2,0,0,0,0|1,0,0]=3 8689 B11R0.4 CCOC(=O)NN=CCSCC 62a_100000210202_100015372823 [0,2,0,0,0,0|1,0,1]=4 8690 B11R0.4 CCOC(=O)OCSCCC#N 62a_100011215226_100000075025 [0,2,0,0,0,0|1,0,1]=4 8691 B11R0.4 CCOC(=O)OCSCCCF 62a_100011934791_100000075025 [0,2,0,0,0,0|1,0,0]=3 8692 B11R0.4 CCOC(=O)OCSCCCO 62a_100011215043_100000075025 [0,2,0,0,0,0|1,0,0]=3 8693 B11R0.4 CCOC(=O)OCSCCOC 62a_100000233755_100000075025 [0,2,0,0,0,0|1,0,0]=3 8694 B11R0.4 CCOC(=O)OCSCCSC 62a_100000212216_100000075025 [0,2,0,0,0,0|1,0,0]=3 8695 B11R0.4 CCOCCCCC(=O)OCC 34a_100121572206_100000750268 [0,2,0,0,0,0|0,0,0]=2 8696 B11R0.4 CCOCCCNC(=O)CCO 240690a_100000210961_100011216618 [0,2,0,0,0,0|2,0,0]=4 8697 B11R0.4 CCOCCCNC(=O)COC 11a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 8698 B11R0.4 CCOCCCNC(=O)COC 1626a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 8699 B11R0.4 CCOCCCNC(=O)COC 240690a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 8700 B11R0.4 CCOCCCNC(=O)COC 527a_100000210961_100000210968 [0,2,0,0,0,0|2,0,0]=4 8701 B11R0.4 CCOCCCNC(=O)CSC 11a_100000210961_100000184570 [0,2,0,0,0,0|2,0,0]=4 8702 B11R0.4 CCOCCCNC(=O)CSC 1626a_100000210961_100000184570 [0,2,0,0,0,0|2,0,0]=4 8703 B11R0.4 CCOCCCNC(=O)CSC 240690a_100000210961_100000184570 [0,2,0,0,0,0|2,0,0]=4 8704 B11R0.4 CCOCCCNC(=O)CSC 527a_100000210961_100000184570 [0,2,0,0,0,0|2,0,0]=4 8705 B11R0.4 CCOCCCNC(=O)NNC 273464a_100000210961_100016993582 [0,2,0,0,0,0|2,0,0]=4 8706 B11R0.4 CCOCCCNC(=O)NNC 512a_100000210961_100016993582 [0,2,0,0,0,0|2,0,0]=4 8707 B11R0.4 CCOCCCNC(=O)NNC 512a_100016993582_100000210961 [0,2,0,0,0,0|2,0,0]=4 8708 B11R0.4 CCOCCNCC(=O)NCO 2230a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 8709 B11R0.4 CCOCCNCC(=O)NCO 34a_102516460346_100000185155 [0,2,0,0,0,0|2,0,0]=4 8710 B11R0.4 CCOCCNCC(=O)OCC 2230a_102516460346_100000188475 [0,2,0,0,0,0|0,0,0]=2 8711 B11R0.4 CCOCCNCC(=O)OCC 34a_102516460346_100000188475 [0,2,0,0,0,0|0,0,0]=2 8712 B11R0.4 CCOCCOCC(=O)NCO 34a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 8713 B11R0.4 CCOCCOCC(=O)NCO 7a_100000210136_100000185155 [0,2,0,0,0,0|2,0,0]=4 8714 B11R0.4 CCOCCOCC(=O)OCC 34a_100000210136_100000188475 [0,2,0,0,0,0|0,0,0]=2 8715 B11R0.4 CCOCCOCC(=O)OCC 34a_100121572206_100000088970 [0,2,0,0,0,0|0,0,0]=2 8716 B11R0.4 CCOCCOCC(=O)OCC 7a_100000210136_100000188475 [0,2,0,0,0,0|0,0,0]=2 8717 B11R0.4 CCOCCSCC(=O)NCO 62a_100000185155_100011215890 [0,2,0,0,0,0|2,0,0]=4 8718 B11R0.4 CCOCCSCC(=O)NCO 62a_100000210147_100000185155 [0,2,0,0,0,0|2,0,0]=4 8719 B11R0.4 CCOCCSCC(=O)OCC 62a_100000188475_100011215890 [0,2,0,0,0,0|0,0,0]=2 8720 B11R0.4 CCOCCSCC(=O)OCC 62a_100000210147_100000188475 [0,2,0,0,0,0|0,0,0]=2 8721 B11R0.4 CCOCCSCC(=O)OCC 7a_200000230590_100000210202 [0,2,0,0,0,0|0,0,0]=2 8722 B11R0.4 CCOCSCCC(=O)OCC 62a_100000739092_100000765890 [0,2,0,0,0,0|0,0,0]=2 8723 B11R0.4 CCOCSCCC(=O)OCC 62a_100000765890_100000739092 [0,2,0,0,0,0|0,0,0]=2 8724 B11R0.4 CCOCSCOC(=O)OCC 62a_100000739092_100000075025 [0,2,0,0,0,0|1,0,0]=3 8725 B11R0.4 CCSCCNCC(=O)NCO 2230a_100000106463_100000185155 [0,2,0,0,0,0|2,0,0]=4 8726 B11R0.4 CCSCCOCC(=O)NCO 34a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 8727 B11R0.4 CCSCCOCC(=O)NCO 7a_100000212035_100000185155 [0,2,0,0,0,0|2,0,0]=4 8728 B11R0.4 CCSCCSCC(=O)NCO 62a_100000185155_100000757381 [0,2,0,0,0,0|2,0,0]=4 8729 B11R0.4 CCSCCSCC(=O)NCO 62a_100000757381_100000185155 [0,2,0,0,0,0|2,0,0]=4 8730 B11R0.4 CNCCCOCC(=O)NCO 34a_100000213112_100000185155 [0,2,0,0,0,0|2,0,0]=4 8731 B11R0.4 CNNC(=O)CCCCCOC 22a_100016993582_100011935119 [0,2,0,0,0,0|2,0,0]=4 8732 B11R0.4 CNNC(=O)CCOCCOC 22a_100016993582_100000745395 [0,2,0,0,0,0|2,0,0]=4 8733 B11R0.4 CNNC(=O)NCCCCCO 273464a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 8734 B11R0.4 CNNC(=O)NCCCCCO 512a_100000762737_100016993582 [0,2,0,0,0,0|2,0,0]=4 8735 B11R0.4 CNNC(=O)NCCCCCO 512a_100016993582_100000762737 [0,2,0,0,0,0|2,0,0]=4 8736 B11R0.4 COCC(=O)CCCCCC#N 1458a_100000210968_100009813376 [0,2,0,0,0,0|2,0,0]=4 8737 B11R0.4 COCC(=O)CCCCCCF 1458a_100000210968_100015922095 [0,2,0,0,0,0|2,0,0]=4 8738 B11R0.4 COCC(=O)CCCCCCO 1458a_100000210968_100000766143 [0,2,0,0,0,0|2,0,0]=4 8739 B11R0.4 COCC(=O)NCCCCCO 240690a_100000762737_100000210968 [0,2,0,0,0,0|2,0,0]=4 8740 B11R0.4 COCCCCCC(=O)CCF 1458a_100011935119_100011217306 [0,2,0,0,0,0|2,0,0]=4 8741 B11R0.4 COCCCCCC(=O)CCO 1458a_100011935119_100000211926 [0,2,0,0,0,0|2,0,0]=4 8742 B11R0.4 COCCCNCC(=O)NCO 34a_100150723488_100000185155 [0,2,0,0,0,0|2,0,0]=4 8743 B11R0.4 COCCCOCC(=O)NCO 34a_100000740835_100000185155 [0,2,0,0,0,0|2,0,0]=4 8744 B11R0.4 COCCCSCC(=O)NCO 62a_100000185155_100000709357 [0,2,0,0,0,0|2,0,0]=4 8745 B11R0.4 COCCCSCC(=O)NCO 62a_100000709357_100000185155 [0,2,0,0,0,0|2,0,0]=4 8746 B11R0.4 COCCOCCC(=O)CCF 1458a_100000745395_100011217306 [0,2,0,0,0,0|2,0,0]=4 8747 B11R0.4 COCCOCCC(=O)CCO 1458a_100000745395_100000211926 [0,2,0,0,0,0|2,0,0]=4 8748 B11R0.4 COCCOCCC(=O)CCO 1458a_100011216618_100000695917 [0,2,0,0,0,0|2,0,0]=4 8749 B11R0.4 COCCOCCC(=O)COC 1458a_100000210968_100000695917 [0,2,0,0,0,0|2,0,0]=4 8750 B11R0.4 COCCOCCC(=O)CSC 1458a_100000184570_100000695917 [0,2,0,0,0,0|2,0,0]=4 8751 B11R0.4 CSCC(=O)CCCCCC#N 1458a_100000184570_100009813376 [0,2,0,0,0,0|2,0,0]=4 8752 B11R0.4 CSCC(=O)CCCCCCF 1458a_100000184570_100015922095 [0,2,0,0,0,0|2,0,0]=4 8753 B11R0.4 CSCC(=O)CCCCCCO 1458a_100000184570_100000766143 [0,2,0,0,0,0|2,0,0]=4 8754 B11R0.4 CSCC(=O)NCCCCCO 240690a_100000762737_100000184570 [0,2,0,0,0,0|2,0,0]=4 8755 B11R0.4 CSCCCNCC(=O)NCO 2230a_100000749238_100000185155 [0,2,0,0,0,0|2,0,0]=4 8756 B11R0.4 CSCCCOCC(=O)NCO 34a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 8757 B11R0.4 CSCCCOCC(=O)NCO 7a_100000690336_100000185155 [0,2,0,0,0,0|2,0,0]=4 8758 B11R0.4 N#CCCCCCC(=O)CCO 1458a_100011216618_100009813376 [0,2,0,0,0,0|2,0,0]=4 8759 B11R0.4 NCCCCOCC(=O)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 8760 B11R0.4 O=C(CCF)CCCCCCO 1458a_100011996774_100011217306 [0,2,0,0,0,0|2,0,0]=4 8761 B11R0.4 O=C(CCO)CCCCCCF 1458a_100011216618_100015922095 [0,2,0,0,0,0|2,0,0]=4 8762 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011216618_100000766143 [0,2,0,0,0,0|2,0,0]=4 8763 B11R0.4 O=C(CCO)CCCCCCO 1458a_100011996774_100000211926 [0,2,0,0,0,0|2,0,0]=4 8764 B11R0.4 O=C(CCO)NCCCCCO 240690a_100000762737_100011216618 [0,2,0,0,0,0|2,0,0]=4 8765 B11R0.4 O=C(CNCCCCO)NCO 2230a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 8766 B11R0.4 O=C(CNCCCCO)NCO 34a_100000750430_100000185155 [0,2,0,0,0,0|2,0,0]=4 8767 B11R0.4 O=C(COCCCCBr)NCO 34a_100011216708_100000185155 [0,2,0,0,0,0|2,0,0]=4 8768 B11R0.4 O=C(COCCCCCl)NCO 34a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 8769 B11R0.4 O=C(COCCCCCl)NCO 7a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 8770 B11R0.4 O=C(COCCCCF)NCO 34a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 8771 B11R0.4 O=C(COCCCCF)NCO 7a_100011995726_100000185155 [0,2,0,0,0,0|2,0,0]=4 8772 B11R0.4 O=C(COCCCCI)NCO 34a_200012148704_100000185155 [0,2,0,0,0,0|2,0,0]=4 8773 B11R0.4 O=C(CSCCCCF)NCO 62a_100000185155_100000729493 [0,2,0,0,0,0|2,0,0]=4 8774 B11R0.4 O=C(CSCCCCF)NCO 62a_100000729493_100000185155 [0,2,0,0,0,0|2,0,0]=4 8775 B11R0.4 O=C(CSCCCCO)NCO 62a_100000185155_100000210776 [0,2,0,0,0,0|2,0,0]=4 8776 B11R0.4 O=C(CSCCCCO)NCO 62a_100000210776_100000185155 [0,2,0,0,0,0|2,0,0]=4 8777 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000243816_100000753159 [0,2,0,0,0,0|0,0,2]=4 8778 B11R0.5 C#CCCC(=O)CC(=O)OCC 1458a_100000692101_100000188475 [0,2,0,0,0,0|0,0,2]=4 8779 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000692101_100011216630 [0,2,0,0,0,0|1,0,1]=4 8780 B11R0.5 C#CCCC(=O)CC(C)CCC 1458a_100000748435_100000753159 [0,2,0,0,0,0|1,0,1]=4 8781 B11R0.5 C#CCCN(C)CC(=O)OCC 2230a_100000220588_100000688953 [0,2,0,0,0,0|0,0,2]=4 8782 B11R0.5 C#CCNC(=O)CC(C)CCC 11a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 8783 B11R0.5 C#CCNC(=O)CC(C)CCC 1626a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 8784 B11R0.5 C#CCNC(=O)CC(C)CCC 240690a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 8785 B11R0.5 C#CCNC(=O)CC(C)CCC 527a_100000212058_100000748435 [0,2,0,0,0,0|1,0,1]=4 8786 B11R0.5 C#CCO[C@H](C)CC(=O)OCC 7a_100009816390_100000038162 [0,2,0,0,0,0|0,0,2]=4 8787 B11R0.5 C#CCSC(C)CC(=O)OCC 62a_100000038162_100009817359 [0,2,0,0,0,0|0,0,2]=4 8788 B11R0.5 C/C=C/CC(=O)CC(=O)OCC 1458a_100000243816_100102629194 [0,2,0,0,0,0|0,0,2]=4 8789 B11R0.5 C/C=C/CC(=O)CC(C)CCC 1458a_100000748435_100102629194 [0,2,0,0,0,0|1,0,1]=4 8790 B11R0.5 C=C(CC(=O)CCC)OCOC 1458a_100000211992_100000042856 [0,2,0,0,0,0|1,0,1]=4 8791 B11R0.5 C=C(CCC)CC(=O)CCCC 1458a_100000138376_100000210211 [0,2,0,0,0,0|1,0,1]=4 8792 B11R0.5 C=C(CCC)CC(=O)CCCF 1458a_100000138376_100011934791 [0,2,0,0,0,0|1,0,1]=4 8793 B11R0.5 C=C(CCC)CC(=O)CCCO 1458a_100000138376_100011215043 [0,2,0,0,0,0|1,0,1]=4 8794 B11R0.5 C=C(CCC)CC(=O)CCOC 1458a_100000138376_100000233755 [0,2,0,0,0,0|1,0,1]=4 8795 B11R0.5 C=C(CCC)CC(=O)CCSC 1458a_100000138376_100000751147 [0,2,0,0,0,0|1,0,1]=4 8796 B11R0.5 C=C(CCC)CC(=O)NCCC 11a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 8797 B11R0.5 C=C(CCC)CC(=O)NCCC 240690a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 8798 B11R0.5 C=C(CCC)CC(=O)NCCC 527a_100020643023_100000138376 [0,2,0,0,0,0|1,0,1]=4 8799 B11R0.5 C=C(CCC)CC(=O)NCCF 11a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 8800 B11R0.5 C=C(CCC)CC(=O)NCCF 240690a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 8801 B11R0.5 C=C(CCC)CC(=O)NCCF 527a_100000724931_100000138376 [0,2,0,0,0,0|1,0,1]=4 8802 B11R0.5 C=C(CCC)CC(=O)NCCO 240690a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 8803 B11R0.5 C=C(CCC)CC(=O)NCCO 527a_100000210304_100000138376 [0,2,0,0,0,0|1,0,1]=4 8804 B11R0.5 C=C(CCC)CC(=O)NNCC 22a_100000756455_100000138376 [0,2,0,0,0,0|1,0,1]=4 8805 B11R0.5 C=C(CN(C)CCC)OCOC 269982a_100000747261_100000042856 [0,2,0,0,0,0|2,0,0]=4 8806 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000243816_100000754431 [0,2,0,0,0,0|0,0,2]=4 8807 B11R0.5 C=CCCC(=O)CC(=O)OCC 1458a_100000749702_100000188475 [0,2,0,0,0,0|0,0,2]=4 8808 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000748435_100000754431 [0,2,0,0,0,0|1,0,1]=4 8809 B11R0.5 C=CCCC(=O)CC(C)CCC 1458a_100000749702_100011216630 [0,2,0,0,0,0|1,0,1]=4 8810 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100000220588_100000754431 [0,2,0,0,0,0|0,0,2]=4 8811 B11R0.5 C=CCCN(C)CC(=O)OCC 2230a_100020639649_100000188475 [0,2,0,0,0,0|0,0,2]=4 8812 B11R0.5 C=CCCN(C)CC(=O)OCC 269982a_100020639649_100000188475 [0,2,0,0,0,0|0,0,2]=4 8813 B11R0.5 C=CCNC(=O)CC(C)CCC 1626a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 8814 B11R0.5 C=CCNC(=O)CC(C)CCC 240690a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 8815 B11R0.5 C=CCNC(=O)CC(C)CCC 527a_100020586998_100000748435 [0,2,0,0,0,0|1,0,1]=4 8816 B11R0.5 C=CCNC(C)CC(=O)OCC 2230a_100020586998_100009817359 [0,2,0,0,0,0|0,0,2]=4 8817 B11R0.5 C=CCOC(=O)CC(=O)CCC 1458a_100000211992_100000033060 [0,2,0,0,0,0|0,0,2]=4 8818 B11R0.5 C=CCOC(=O)CN(C)CCC 2230a_100000747261_100000033060 [0,2,0,0,0,0|1,0,1]=4 8819 B11R0.5 C=CCOC(=O)CN(C)CCC 269982a_100000747261_100000033060 [0,2,0,0,0,0|1,0,1]=4 8820 B11R0.5 C=CCO[C@H](C)CC(=O)OCC 7a_100009816390_100015514636 [0,2,0,0,0,0|0,0,2]=4 8821 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100000210623_100009817359 [0,2,0,0,0,0|0,0,2]=4 8822 B11R0.5 C=CCSC(C)CC(=O)OCC 62a_100009817359_100000210623 [0,2,0,0,0,0|0,0,2]=4 8823 B11R0.5 C=COC(=O)CC(=O)CCCC 1458a_100000210183_100000036128 [0,2,0,0,0,0|0,0,2]=4 8824 B11R0.5 C=COC(=O)CN(C)CCCC 2230a_100000207549_100000036128 [0,2,0,0,0,0|0,0,2]=4 8825 B11R0.5 C=COC(=O)CN(C)CCCC 269982a_100000207549_100000036128 [0,2,0,0,0,0|0,0,2]=4 8826 B11R0.5 CC#CCC(=O)CC(=O)OCC 1458a_100000243816_100000748600 [0,2,0,0,0,0|0,0,2]=4 8827 B11R0.5 CC#CCC(=O)CC(C)CCC 1458a_100000748435_100000748600 [0,2,0,0,0,0|1,0,1]=4 8828 B11R0.5 CC#CCN(C)CC(=O)OCC 2230a_100000220588_100000748600 [0,2,0,0,0,0|0,0,2]=4 8829 B11R0.5 CC=CC(=O)NC(C)CCCC 11a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 8830 B11R0.5 CC=CC(=O)NC(C)CCCC 1626a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 8831 B11R0.5 CC=CC(=O)NC(C)CCCC 240690a_100000126638_100000210699 [0,2,0,0,0,0|1,0,1]=4 8832 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100000243816_100000070051 [0,2,0,0,0,0|0,0,2]=4 8833 B11R0.5 CC=CCC(=O)CC(=O)OCC 1458a_100121576822_100000188475 [0,2,0,0,0,0|0,0,2]=4 8834 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100000748435_100000070051 [0,2,0,0,0,0|1,0,1]=4 8835 B11R0.5 CC=CCC(=O)CC(C)CCC 1458a_100121576822_100011216630 [0,2,0,0,0,0|1,0,1]=4 8836 B11R0.5 CC=CCN(C)CC(=O)OCC 2230a_100000220588_100000070051 [0,2,0,0,0,0|0,0,2]=4 8837 B11R0.5 CCC#CC(=O)CC(=O)CCC 1458a_100011827653_100000747444 [0,2,0,0,0,0|1,0,1]=4 8838 B11R0.5 CCC#CC(=O)CC(=O)OCC 1458a_100011827653_100000188475 [0,2,0,0,0,0|0,0,2]=4 8839 B11R0.5 CCC#CC(=O)CC(C)CCC 1458a_100011827653_100011216630 [0,2,0,0,0,0|1,0,0]=3 8840 B11R0.5 CCC=CC(=O)CC(=O)CCC 1458a_100000212282_100000747444 [0,2,0,0,0,0|1,0,1]=4 8841 B11R0.5 CCC=CC(=O)CC(=O)OCC 1458a_100000212282_100000188475 [0,2,0,0,0,0|0,0,2]=4 8842 B11R0.5 CCC=CC(=O)CC(C)CCC 1458a_100000212282_100011216630 [0,2,0,0,0,0|1,0,0]=3 8843 B11R0.5 CCC=CC(=O)NC(C)CCC 11a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 8844 B11R0.5 CCC=CC(=O)NC(C)CCC 1626a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 8845 B11R0.5 CCC=CC(=O)NC(C)CCC 240690a_100000741246_100000212282 [0,2,0,0,0,0|2,0,0]=4 8846 B11R0.5 CCCC(=O)CC(=O)CCOC 1458a_100000749529_100000747444 [0,2,0,0,0,0|1,0,1]=4 8847 B11R0.5 CCCC(=O)CC(=O)CCSC 1458a_100000174002_100000747444 [0,2,0,0,0,0|1,0,1]=4 8848 B11R0.5 CCCC(=O)CC(=O)COCC 1458a_100000211967_100000747444 [0,2,0,0,0,0|0,0,1]=3 8849 B11R0.5 CCCC(=O)CC(=O)CSCC 1458a_100000230394_100000747444 [0,2,0,0,0,0|0,1,1]=4 8850 B11R0.5 CCCC(=O)CN(C)CCCO 2230a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 8851 B11R0.5 CCCC(=O)CN(C)CCCO 269982a_100000213112_100000747444 [0,2,0,0,0,0|2,0,0]=4 8852 B11R0.5 CCCC(=O)CN(C)CCOC 2230a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 8853 B11R0.5 CCCC(=O)CN(C)CCOC 269982a_100000743101_100000747444 [0,2,0,0,0,0|2,0,0]=4 8854 B11R0.5 CCCC(=O)CN(C)CCSC 2230a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 8855 B11R0.5 CCCC(=O)CN(C)CCSC 269982a_100000686725_100000747444 [0,2,0,0,0,0|2,0,0]=4 8856 B11R0.5 CCCC(C)CC(=O)C#CCO 1458a_100000049017_100011216630 [0,2,0,0,0,0|1,0,1]=4 8857 B11R0.5 CCCC(C)CC(=O)C=COC 1458a_100016268678_100011216630 [0,2,0,0,0,0|1,0,1]=4 8858 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100000748435_100011215226 [0,2,0,0,0,0|1,0,1]=4 8859 B11R0.5 CCCC(C)CC(=O)CCC#N 1458a_100011934036_100011216630 [0,2,0,0,0,0|1,0,1]=4 8860 B11R0.5 CCCC(C)CC(=O)CCCF 1458a_100000748435_100011934791 [0,2,0,0,0,0|1,0,0]=3 8861 B11R0.5 CCCC(C)CC(=O)CCCO 1458a_100000748435_100011215043 [0,2,0,0,0,0|1,0,0]=3 8862 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000748435_100000233755 [0,2,0,0,0,0|1,0,0]=3 8863 B11R0.5 CCCC(C)CC(=O)CCOC 1458a_100000749529_100011216630 [0,2,0,0,0,0|1,0,0]=3 8864 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000174002_100011216630 [0,2,0,0,0,0|1,0,0]=3 8865 B11R0.5 CCCC(C)CC(=O)CCSC 1458a_100000748435_100000751147 [0,2,0,0,0,0|1,0,0]=3 8866 B11R0.5 CCCC(C)CC(=O)COCC 1458a_100000211967_100011216630 [0,2,0,0,0,0|0,0,0]=2 8867 B11R0.5 CCCC(C)CC(=O)CSCC 1458a_100000230394_100011216630 [0,2,0,0,0,0|0,1,0]=3 8868 B11R0.5 CCCC(C)CC(=O)NCC#N 1626a_100000734998_100000748435 [0,2,0,0,0,0|1,0,1]=4 8869 B11R0.5 CCCC(C)CC(=O)NCC#N 527a_100000734998_100000748435 [0,2,0,0,0,0|1,0,1]=4 8870 B11R0.5 CCCC(C)CC(=O)NCCF 11a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 8871 B11R0.5 CCCC(C)CC(=O)NCCF 1626a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 8872 B11R0.5 CCCC(C)CC(=O)NCCF 240690a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 8873 B11R0.5 CCCC(C)CC(=O)NCCF 527a_100000724931_100000748435 [0,2,0,0,0,0|1,0,0]=3 8874 B11R0.5 CCCC(C)CC(=O)NCCO 240690a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 8875 B11R0.5 CCCC(C)CC(=O)NCCO 527a_100000210304_100000748435 [0,2,0,0,0,0|1,0,0]=3 8876 B11R0.5 CCCC(C)CC(=O)NNCC 22a_100000756455_100000748435 [0,2,0,0,0,0|1,0,0]=3 8877 B11R0.5 CCCC(C)NC(=O)CCOC 11a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 8878 B11R0.5 CCCC(C)NC(=O)CCOC 1626a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 8879 B11R0.5 CCCC(C)NC(=O)CCOC 240690a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 8880 B11R0.5 CCCC(C)NC(=O)CCOC 527a_100000741246_100000749529 [0,2,0,0,0,0|2,0,0]=4 8881 B11R0.5 CCCC(C)NC(=O)CCSC 11a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 8882 B11R0.5 CCCC(C)NC(=O)CCSC 1626a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 8883 B11R0.5 CCCC(C)NC(=O)CCSC 240690a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 8884 B11R0.5 CCCC(C)NC(=O)CCSC 527a_100000741246_100000174002 [0,2,0,0,0,0|2,0,0]=4 8885 B11R0.5 CCCC(C)NC(=O)COCC 11a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 8886 B11R0.5 CCCC(C)NC(=O)COCC 1626a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 8887 B11R0.5 CCCC(C)NC(=O)COCC 240690a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 8888 B11R0.5 CCCC(C)NC(=O)COCC 527a_100000741246_100000211967 [0,2,0,0,0,0|1,0,0]=3 8889 B11R0.5 CCCC(C)NC(=O)CSCC 11a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 8890 B11R0.5 CCCC(C)NC(=O)CSCC 1626a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 8891 B11R0.5 CCCC(C)NC(=O)CSCC 240690a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 8892 B11R0.5 CCCC(C)NC(=O)CSCC 527a_100000741246_100000230394 [0,2,0,0,0,0|1,1,0]=4 8893 B11R0.5 CCCC(C)NC(=O)NCCF 2708a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 8894 B11R0.5 CCCC(C)NC(=O)NCCF 273464a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 8895 B11R0.5 CCCC(C)NC(=O)NCCF 512a_100000741246_100000724931 [0,2,0,0,0,0|2,0,0]=4 8896 B11R0.5 CCCC(C)NC(=O)NCCO 2708a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 8897 B11R0.5 CCCC(C)NC(=O)NCCO 273464a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 8898 B11R0.5 CCCC(C)NC(=O)NCCO 512a_100000741246_100000210304 [0,2,0,0,0,0|2,0,0]=4 8899 B11R0.5 CCCC(C)NC(=O)NNCC 273464a_100000741246_100000756455 [0,2,0,0,0,0|2,0,0]=4 8900 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000741246_100000756455 [0,2,0,0,0,0|2,0,0]=4 8901 B11R0.5 CCCC(C)NC(=O)NNCC 512a_100000756455_100000741246 [0,2,0,0,0,0|2,0,0]=4 8902 B11R0.5 CCCCC(=O)CC(=O)CCC 1458a_100000210183_100000747444 [0,2,0,0,0,0|1,0,0]=3 8903 B11R0.5 CCCCC(=O)CC(=O)NCC 1458a_100000210183_100000183381 [0,2,0,0,0,0|1,0,0]=3 8904 B11R0.5 CCCCC(=O)CC(=O)NCO 1458a_100000210183_100000185155 [0,2,0,0,0,0|2,0,0]=4 8905 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000210183_100000188475 [0,2,0,0,0,0|0,0,0]=2 8906 B11R0.5 CCCCC(=O)CC(=O)OCC 1458a_100000243816_100000210211 [0,2,0,0,0,0|0,0,0]=2 8907 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000210183_100011216630 [0,2,0,0,0,0|1,0,0]=3 8908 B11R0.5 CCCCC(=O)CC(C)CCC 1458a_100000748435_100000210211 [0,2,0,0,0,0|1,0,0]=3 8909 B11R0.5 CCCCC(=O)CC(C)SCC 1458a_200011311441_100000210211 [0,2,0,0,0,0|2,0,0]=4 8910 B11R0.5 CCCCC(=O)CS(=O)CCC 1458a_100011387404_100000210211 [0,2,0,0,0,0|2,0,0]=4 8911 B11R0.5 CCCCC(=O)NC(C)CCC 11a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 8912 B11R0.5 CCCCC(=O)NC(C)CCC 1626a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 8913 B11R0.5 CCCCC(=O)NC(C)CCC 240690a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 8914 B11R0.5 CCCCC(=O)NC(C)CCC 527a_100000741246_100000210183 [0,2,0,0,0,0|2,0,0]=4 8915 B11R0.5 CCCCC(C)NC(=O)CCC 11a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 8916 B11R0.5 CCCCC(C)NC(=O)CCC 1626a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 8917 B11R0.5 CCCCC(C)NC(=O)CCC 240690a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 8918 B11R0.5 CCCCC(C)NC(=O)CCC 527a_100000126638_100000211992 [0,2,0,0,0,0|1,0,0]=3 8919 B11R0.5 CCCCC(C)NC(=O)CCO 240690a_100000126638_100011216618 [0,2,0,0,0,0|2,0,0]=4 8920 B11R0.5 CCCCC(C)NC(=O)COC 11a_100000126638_100000210968 [0,2,0,0,0,0|2,0,0]=4 8921 B11R0.5 CCCCC(C)NC(=O)COC 1626a_100000126638_100000210968 [0,2,0,0,0,0|2,0,0]=4 8922 B11R0.5 CCCCC(C)NC(=O)COC 240690a_100000126638_100000210968 [0,2,0,0,0,0|2,0,0]=4 8923 B11R0.5 CCCCC(C)NC(=O)COC 527a_100000126638_100000210968 [0,2,0,0,0,0|2,0,0]=4 8924 B11R0.5 CCCCC(C)NC(=O)CSC 11a_100000126638_100000184570 [0,2,0,0,0,0|2,0,0]=4 8925 B11R0.5 CCCCC(C)NC(=O)CSC 1626a_100000126638_100000184570 [0,2,0,0,0,0|2,0,0]=4 8926 B11R0.5 CCCCC(C)NC(=O)CSC 240690a_100000126638_100000184570 [0,2,0,0,0,0|2,0,0]=4 8927 B11R0.5 CCCCC(C)NC(=O)CSC 527a_100000126638_100000184570 [0,2,0,0,0,0|2,0,0]=4 8928 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 8929 B11R0.5 CCCCC(C)NC(=O)NCC 2708a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 8930 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 8931 B11R0.5 CCCCC(C)NC(=O)NCC 273464a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 8932 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100000126638_100015525214 [0,2,0,0,0,0|1,0,0]=3 8933 B11R0.5 CCCCC(C)NC(=O)NCC 512a_100015525214_100000126638 [0,2,0,0,0,0|1,0,0]=3 8934 B11R0.5 CCCCC(C)NC(=O)NNC 273464a_100000126638_100016993582 [0,2,0,0,0,0|2,0,0]=4 8935 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100000126638_100016993582 [0,2,0,0,0,0|2,0,0]=4 8936 B11R0.5 CCCCC(C)NC(=O)NNC 512a_100016993582_100000126638 [0,2,0,0,0,0|2,0,0]=4 8937 B11R0.5 CCCCN(C)CC(=O)CCC 2230a_100000207549_100000747444 [0,2,0,0,0,0|1,0,0]=3 8938 B11R0.5 CCCCN(C)CC(=O)CCC 269982a_100000207549_100000747444 [0,2,0,0,0,0|1,0,0]=3 8939 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000207549_100000183381 [0,2,0,0,0,0|1,0,0]=3 8940 B11R0.5 CCCCN(C)CC(=O)NCC 2230a_100000741943_100000210211 [0,2,0,0,0,0|1,0,0]=3 8941 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000207549_100000183381 [0,2,0,0,0,0|1,0,0]=3 8942 B11R0.5 CCCCN(C)CC(=O)NCC 269982a_100000741943_100000210211 [0,2,0,0,0,0|1,0,0]=3 8943 B11R0.5 CCCCN(C)CC(=O)NCO 2230a_100000207549_100000185155 [0,2,0,0,0,0|2,0,0]=4 8944 B11R0.5 CCCCN(C)CC(=O)NCO 269982a_100000207549_100000185155 [0,2,0,0,0,0|2,0,0]=4 8945 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000207549_100000188475 [0,2,0,0,0,0|0,0,0]=2 8946 B11R0.5 CCCCN(C)CC(=O)OCC 2230a_100000220588_100000210211 [0,2,0,0,0,0|0,0,0]=2 8947 B11R0.5 CCCCN(C)CC(=O)OCC 269982a_100000207549_100000188475 [0,2,0,0,0,0|0,0,0]=2 8948 B11R0.5 CCCNC(=O)CC(=O)CCC 1458a_100000211992_100000183358 [0,2,0,0,0,0|1,0,1]=4 8949 B11R0.5 CCCNC(=O)CC(=O)OCC 240690a_100020643023_100000243816 [0,2,0,0,0,0|0,0,1]=3 8950 B11R0.5 CCCNC(=O)CC(C)CCC 11a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 8951 B11R0.5 CCCNC(=O)CC(C)CCC 1626a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 8952 B11R0.5 CCCNC(=O)CC(C)CCC 240690a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 8953 B11R0.5 CCCNC(=O)CC(C)CCC 527a_100020643023_100000748435 [0,2,0,0,0,0|1,0,0]=3 8954 B11R0.5 CCCNC(=O)CC(C)SCC 11a_100020643023_200011311441 [0,2,0,0,0,0|2,0,0]=4 8955 B11R0.5 CCCNC(=O)CC(C)SCC 1626a_100020643023_200011311441 [0,2,0,0,0,0|2,0,0]=4 8956 B11R0.5 CCCNC(=O)CC(C)SCC 240690a_100020643023_200011311441 [0,2,0,0,0,0|2,0,0]=4 8957 B11R0.5 CCCNC(=O)CC(C)SCC 527a_100020643023_200011311441 [0,2,0,0,0,0|2,0,0]=4 8958 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000684209_100000210303 [0,2,0,0,0,0|2,0,0]=4 8959 B11R0.5 CCCNC(=O)CN(C)CCC 2230a_100000747261_100000183358 [0,2,0,0,0,0|2,0,0]=4 8960 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000684209_100000210303 [0,2,0,0,0,0|2,0,0]=4 8961 B11R0.5 CCCNC(=O)CN(C)CCC 269982a_100000747261_100000183358 [0,2,0,0,0,0|2,0,0]=4 8962 B11R0.5 CCCNC(=O)CS(=O)CCC 11a_100020643023_100011387404 [0,2,0,0,0,0|2,0,0]=4 8963 B11R0.5 CCCNC(=O)CS(=O)CCC 1626a_100020643023_100011387404 [0,2,0,0,0,0|2,0,0]=4 8964 B11R0.5 CCCNC(=O)CS(=O)CCC 240690a_100020643023_100011387404 [0,2,0,0,0,0|2,0,0]=4 8965 B11R0.5 CCCNC(=O)CS(=O)CCC 527a_100020643023_100011387404 [0,2,0,0,0,0|2,0,0]=4 8966 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 8967 B11R0.5 CCCNC(=O)NC(C)CCC 2708a_100020643023_100000741246 [0,2,0,0,0,0|2,0,0]=4 8968 B11R0.5 CCCNC(=O)NC(C)CCC 273464a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 8969 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100000741246_100020643023 [0,2,0,0,0,0|2,0,0]=4 8970 B11R0.5 CCCNC(=O)NC(C)CCC 512a_100020643023_100000741246 [0,2,0,0,0,0|2,0,0]=4 8971 B11R0.5 CCCOC(=O)CC(=O)CCC 1458a_100000211992_200011215008 [0,2,0,0,0,0|0,0,1]=3 8972 B11R0.5 CCCOC(=O)CC(=O)CCO 1458a_100011216618_200011215008 [0,2,0,0,0,0|1,0,1]=4 8973 B11R0.5 CCCOC(=O)CC(=O)COC 1458a_100000210968_200011215008 [0,2,0,0,0,0|1,0,1]=4 8974 B11R0.5 CCCOC(=O)CC(=O)CSC 1458a_100000184570_200011215008 [0,2,0,0,0,0|1,0,1]=4 8975 B11R0.5 CCCOC(=O)CN(C)CCC 2230a_100000747261_200011215008 [0,2,0,0,0,0|1,0,0]=3 8976 B11R0.5 CCCOC(=O)CN(C)CCC 269982a_100000747261_200011215008 [0,2,0,0,0,0|1,0,0]=3 8977 B11R0.5 CCCOC(=O)CN(C)CCO 2230a_100000210263_200011215008 [0,2,0,0,0,0|2,0,0]=4 8978 B11R0.5 CCCOC(=O)CN(C)CCO 269982a_100000210263_200011215008 [0,2,0,0,0,0|2,0,0]=4 8979 B11R0.5 CCCO[C@H](C)CC(=O)OCC 7a_100009816390_100000210303 [0,2,0,0,0,0|0,0,0]=2 8980 B11R0.5 CCCS(=O)CC(=O)CCCF 1458a_100011387404_100011934791 [0,2,0,0,0,0|2,0,0]=4 8981 B11R0.5 CCCS(=O)CC(=O)CCCO 1458a_100011387404_100011215043 [0,2,0,0,0,0|2,0,0]=4 8982 B11R0.5 CCCS(=O)CC(=O)CCOC 1458a_100011387404_100000233755 [0,2,0,0,0,0|2,0,0]=4 8983 B11R0.5 CCCS(=O)CC(=O)CCSC 1458a_100011387404_100000751147 [0,2,0,0,0,0|2,0,0]=4 8984 B11R0.5 CCCS(=O)CC(=O)NCCF 11a_100000724931_100011387404 [0,2,0,0,0,0|2,0,0]=4 8985 B11R0.5 CCCS(=O)CC(=O)NCCF 1626a_100000724931_100011387404 [0,2,0,0,0,0|2,0,0]=4 8986 B11R0.5 CCCS(=O)CC(=O)NCCF 240690a_100000724931_100011387404 [0,2,0,0,0,0|2,0,0]=4 8987 B11R0.5 CCCS(=O)CC(=O)NCCF 527a_100000724931_100011387404 [0,2,0,0,0,0|2,0,0]=4 8988 B11R0.5 CCCS(=O)CC(=O)NCCO 240690a_100000210304_100011387404 [0,2,0,0,0,0|2,0,0]=4 8989 B11R0.5 CCCS(=O)CC(=O)NCCO 527a_100000210304_100011387404 [0,2,0,0,0,0|2,0,0]=4 8990 B11R0.5 CCCS(=O)CC(=O)NNCC 22a_100000756455_100011387404 [0,2,0,0,0,0|2,0,0]=4 8991 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100000210303_100009817359 [0,2,0,0,0,0|0,0,0]=2 8992 B11R0.5 CCCSC(C)CC(=O)OCC 62a_100009817359_100000210303 [0,2,0,0,0,0|0,0,0]=2 8993 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000036008_100000210303 [0,2,0,0,0,0|1,0,0]=3 8994 B11R0.5 CCCSC(C)OC(=O)OCC 62a_100000210303_100000036008 [0,2,0,0,0,0|1,0,0]=3 8995 B11R0.5 CCNC(=O)CC(=O)CCOC 1458a_100000749529_100000183381 [0,2,0,0,0,0|1,0,1]=4 8996 B11R0.5 CCNC(=O)CC(=O)CCSC 1458a_100000174002_100000183381 [0,2,0,0,0,0|1,0,1]=4 8997 B11R0.5 CCNC(=O)CC(=O)COCC 1458a_100000211967_100000183381 [0,2,0,0,0,0|1,0,1]=4 8998 B11R0.5 CCNC(=O)CC(=O)CSCC 1458a_100000230394_100000183381 [0,2,0,0,0,0|1,0,1]=4 8999 B11R0.5 CCNC(=O)CN(C)CCCF 2230a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 9000 B11R0.5 CCNC(=O)CN(C)CCCF 269982a_100000741943_100011934791 [0,2,0,0,0,0|2,0,0]=4 9001 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 9002 B11R0.5 CCNC(=O)CN(C)CCCO 2230a_100000741943_100000230001 [0,2,0,0,0,0|2,0,0]=4 9003 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000213112_100000183381 [0,2,0,0,0,0|2,0,0]=4 9004 B11R0.5 CCNC(=O)CN(C)CCCO 269982a_100000741943_100011215043 [0,2,0,0,0,0|2,0,0]=4 9005 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000741943_100011201679 [0,2,0,0,0,0|2,0,0]=4 9006 B11R0.5 CCNC(=O)CN(C)CCOC 2230a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 9007 B11R0.5 CCNC(=O)CN(C)CCOC 240690a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 9008 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000741943_100000233755 [0,2,0,0,0,0|2,0,0]=4 9009 B11R0.5 CCNC(=O)CN(C)CCOC 269982a_100000743101_100000183381 [0,2,0,0,0,0|2,0,0]=4 9010 B11R0.5 CCNC(=O)CN(C)CCOC 527a_100015525214_100015184299 [0,2,0,0,0,0|2,0,0]=4 9011 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 9012 B11R0.5 CCNC(=O)CN(C)CCSC 2230a_100000741943_100000751147 [0,2,0,0,0,0|2,0,0]=4 9013 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000686725_100000183381 [0,2,0,0,0,0|2,0,0]=4 9014 B11R0.5 CCNC(=O)CN(C)CCSC 269982a_100000741943_100000212216 [0,2,0,0,0,0|2,0,0]=4 9015 B11R0.5 CCNC(=O)CN(C)COCC 269982a_100000741943_100000739092 [0,2,0,0,0,0|2,0,0]=4 9016 B11R0.5 CCNCC(=CC(=O)OCC)C 2230a_100015525214_100135422193 [0,2,0,0,0,0|0,0,2]=4 9017 B11R0.5 CCNNC(=O)CC(=O)OCC 22a_100000756455_100000243816 [0,2,0,0,0,0|1,0,1]=4 9018 B11R0.5 CCNNC(=O)CC(C)SCC 22a_100000756455_200011311441 [0,2,0,0,0,0|2,0,0]=4 9019 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100000210202_100135422193 [0,2,0,0,0,0|0,0,2]=4 9020 B11R0.5 CCOC(=O)C=C(C)CSCC 62a_100135422193_100000210202 [0,2,0,0,0,0|0,0,2]=4 9021 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100000243816_100011215226 [0,2,0,0,0,0|0,0,2]=4 9022 B11R0.5 CCOC(=O)CC(=O)CCC#N 1458a_100011934036_100000188475 [0,2,0,0,0,0|0,0,2]=4 9023 B11R0.5 CCOC(=O)CC(=O)CCCF 1458a_100000243816_100011934791 [0,2,0,0,0,0|0,0,1]=3 9024 B11R0.5 CCOC(=O)CC(=O)CCCO 1458a_100000243816_100011215043 [0,2,0,0,0,0|0,0,1]=3 9025 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000243816_100000233755 [0,2,0,0,0,0|0,0,1]=3 9026 B11R0.5 CCOC(=O)CC(=O)CCOC 1458a_100000749529_100000188475 [0,2,0,0,0,0|0,0,1]=3 9027 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000174002_100000188475 [0,2,0,0,0,0|0,0,1]=3 9028 B11R0.5 CCOC(=O)CC(=O)CCSC 1458a_100000243816_100000751147 [0,2,0,0,0,0|0,0,1]=3 9029 B11R0.5 CCOC(=O)CC(=O)CSCC 1458a_100000230394_100000188475 [0,2,0,0,0,0|0,0,1]=3 9030 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210202_100000210311 [0,2,0,0,0,0|0,0,1]=3 9031 B11R0.5 CCOC(=O)CC(=O)CSCC 62a_100000210311_100000210202 [0,2,0,0,0,0|0,0,1]=3 9032 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100000210311_100015361967 [0,2,0,0,0,0|1,0,1]=4 9033 B11R0.5 CCOC(=O)CC(=O)CSCF 62a_100015361967_100000210311 [0,2,0,0,0,0|1,0,1]=4 9034 B11R0.5 CCOC(=O)CC(=O)NCCF 240690a_100000724931_100000243816 [0,2,0,0,0,0|1,0,1]=4 9035 B11R0.5 CCOC(=O)CC(=O)NCCO 240690a_100000210304_100000243816 [0,2,0,0,0,0|1,0,1]=4 9036 B11R0.5 CCOC(=O)CC(C)NCCO 2230a_100016997473_100009817359 [0,2,0,0,0,0|1,0,0]=3 9037 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100009817359_100011215382 [0,2,0,0,0,0|1,0,1]=4 9038 B11R0.5 CCOC(=O)CC(C)SCC#N 62a_100011215382_100009817359 [0,2,0,0,0,0|1,0,1]=4 9039 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_100009817359_200015260668 [0,2,0,0,0,0|1,0,1]=4 9040 B11R0.5 CCOC(=O)CC(C)SCC=O 62a_200015260668_100009817359 [0,2,0,0,0,0|1,0,1]=4 9041 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100009817359_100011217306 [0,2,0,0,0,0|1,0,0]=3 9042 B11R0.5 CCOC(=O)CC(C)SCCF 62a_100011217306_100009817359 [0,2,0,0,0,0|1,0,0]=3 9043 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100000211926_100009817359 [0,2,0,0,0,0|1,0,0]=3 9044 B11R0.5 CCOC(=O)CC(C)SCCO 62a_100009817359_100000211926 [0,2,0,0,0,0|1,0,0]=3 9045 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100000766300_100009817359 [0,2,0,0,0,0|1,0,0]=3 9046 B11R0.5 CCOC(=O)CC(C)SCOC 62a_100009817359_100000766300 [0,2,0,0,0,0|1,0,0]=3 9047 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100009817359_100011218213 [0,2,0,0,0,0|1,0,0]=3 9048 B11R0.5 CCOC(=O)CC(C)SCSC 62a_100011218213_100009817359 [0,2,0,0,0,0|1,0,0]=3 9049 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000184479_100000188475 [0,2,0,0,0,0|1,0,1]=4 9050 B11R0.5 CCOC(=O)CN(C)CCC#N 2230a_100000220588_100011215226 [0,2,0,0,0,0|1,0,1]=4 9051 B11R0.5 CCOC(=O)CN(C)CCCF 2230a_100000220588_100011934791 [0,2,0,0,0,0|1,0,0]=3 9052 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000213112_100000188475 [0,2,0,0,0,0|1,0,0]=3 9053 B11R0.5 CCOC(=O)CN(C)CCCO 2230a_100000220588_100000230001 [0,2,0,0,0,0|1,0,0]=3 9054 B11R0.5 CCOC(=O)CN(C)CCCO 269982a_100000213112_100000188475 [0,2,0,0,0,0|1,0,0]=3 9055 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000220588_100011201679 [0,2,0,0,0,0|1,0,0]=3 9056 B11R0.5 CCOC(=O)CN(C)CCOC 2230a_100000743101_100000188475 [0,2,0,0,0,0|1,0,0]=3 9057 B11R0.5 CCOC(=O)CN(C)CCOC 269982a_100000743101_100000188475 [0,2,0,0,0,0|1,0,0]=3 9058 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000220588_100000751147 [0,2,0,0,0,0|1,0,0]=3 9059 B11R0.5 CCOC(=O)CN(C)CCSC 2230a_100000686725_100000188475 [0,2,0,0,0,0|1,0,0]=3 9060 B11R0.5 CCOC(=O)CN(C)CCSC 269982a_100000686725_100000188475 [0,2,0,0,0,0|1,0,0]=3 9061 B11R0.5 CCOC(=O)C[C@@H](C)OCC#N 7a_100009816390_100011215382 [0,2,0,0,0,0|1,0,1]=4 9062 B11R0.5 CCOC(=O)C[C@@H](C)OCC=O 7a_100009816390_200015260668 [0,2,0,0,0,0|1,0,1]=4 9063 B11R0.5 CCOC(=O)C[C@@H](C)OCCF 7a_100009816390_100011217306 [0,2,0,0,0,0|1,0,0]=3 9064 B11R0.5 CCOC(=O)C[C@@H](C)OCCO 7a_100009816390_100000211926 [0,2,0,0,0,0|1,0,0]=3 9065 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000210202_100000688340 [0,2,0,0,0,0|0,0,0]=2 9066 B11R0.5 CCOC(=O)C[C@H](O)CSCC 62a_100000688340_100000210202 [0,2,0,0,0,0|0,0,0]=2 9067 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100000688340_100015361967 [0,2,0,0,0,0|1,0,0]=3 9068 B11R0.5 CCOC(=O)C[C@H](O)CSCF 62a_100015361967_100000688340 [0,2,0,0,0,0|1,0,0]=3 9069 B11R0.5 CCOC(=O)NC(=O)CSCC 62a_100000210202_100000010344 [0,2,0,0,0,0|1,0,1]=4 9070 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100000036008_100011217306 [0,2,0,0,0,0|2,0,0]=4 9071 B11R0.5 CCOC(=O)OC(C)SCCF 62a_100011217306_100000036008 [0,2,0,0,0,0|2,0,0]=4 9072 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000036008_100000211926 [0,2,0,0,0,0|2,0,0]=4 9073 B11R0.5 CCOC(=O)OC(C)SCCO 62a_100000211926_100000036008 [0,2,0,0,0,0|2,0,0]=4 9074 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000036008_100000766300 [0,2,0,0,0,0|2,0,0]=4 9075 B11R0.5 CCOC(=O)OC(C)SCOC 62a_100000766300_100000036008 [0,2,0,0,0,0|2,0,0]=4 9076 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100000036008_100011218213 [0,2,0,0,0,0|2,0,0]=4 9077 B11R0.5 CCOC(=O)OC(C)SCSC 62a_100011218213_100000036008 [0,2,0,0,0,0|2,0,0]=4 9078 B11R0.5 CCOCC(=CC(=O)OCC)C 34a_100121572206_100135422193 [0,2,0,0,0,0|0,0,2]=4 9079 B11R0.5 CCOCC(=O)CC(=O)OCC 1458a_100000211967_100000188475 [0,2,0,0,0,0|0,0,1]=3 9080 B11R0.5 CCOCC(=O)N[C@H](C)CCO 240690a_100000706166_100000211967 [0,2,0,0,0,0|2,0,0]=4 9081 B11R0.5 CCOCC(=O)N[C@H](C)CCO 527a_100000706166_100000211967 [0,2,0,0,0,0|2,0,0]=4 9082 B11R0.5 CCOCC(=O)N[C@H](C)COC 11a_100000764878_100000211967 [0,2,0,0,0,0|2,0,0]=4 9083 B11R0.5 CCOCC(=O)N[C@H](C)COC 1626a_100000764878_100000211967 [0,2,0,0,0,0|2,0,0]=4 9084 B11R0.5 CCOCC(=O)N[C@H](C)COC 240690a_100000764878_100000211967 [0,2,0,0,0,0|2,0,0]=4 9085 B11R0.5 CCOCC(=O)N[C@H](C)COC 527a_100000764878_100000211967 [0,2,0,0,0,0|2,0,0]=4 9086 B11R0.5 CCOC[C@@H](O)CC(=O)OCC 34a_100121572206_100000688340 [0,2,0,0,0,0|0,0,0]=2 9087 B11R0.5 CCSC(C)CC(=O)CCCF 1458a_200011311441_100011934791 [0,2,0,0,0,0|2,0,0]=4 9088 B11R0.5 CCSC(C)CC(=O)CCCO 1458a_200011311441_100011215043 [0,2,0,0,0,0|2,0,0]=4 9089 B11R0.5 CCSC(C)CC(=O)CCOC 1458a_200011311441_100000233755 [0,2,0,0,0,0|2,0,0]=4 9090 B11R0.5 CCSC(C)CC(=O)CCSC 1458a_200011311441_100000751147 [0,2,0,0,0,0|2,0,0]=4 9091 B11R0.5 CCSC(C)CC(=O)NCCF 11a_100000724931_200011311441 [0,2,0,0,0,0|2,0,0]=4 9092 B11R0.5 CCSC(C)CC(=O)NCCF 1626a_100000724931_200011311441 [0,2,0,0,0,0|2,0,0]=4 9093 B11R0.5 CCSC(C)CC(=O)NCCF 240690a_100000724931_200011311441 [0,2,0,0,0,0|2,0,0]=4 9094 B11R0.5 CCSC(C)CC(=O)NCCF 527a_100000724931_200011311441 [0,2,0,0,0,0|2,0,0]=4 9095 B11R0.5 CCSC(C)CC(=O)NCCO 240690a_100000210304_200011311441 [0,2,0,0,0,0|2,0,0]=4 9096 B11R0.5 CCSC(C)CC(=O)NCCO 527a_100000210304_200011311441 [0,2,0,0,0,0|2,0,0]=4 9097 B11R0.62 C#CCC(=O)CCC(=O)OCC 1458a_100000183558_100000184674 [0,2,0,0,0,0|0,0,2]=4 9098 B11R0.62 C#CCC(C)OCC(=O)OCC 34a_100000685586_100000188475 [0,2,0,0,0,0|0,0,2]=4 9099 B11R0.62 C#CCC(C)OCC(=O)OCC 7a_100000685586_100000188475 [0,2,0,0,0,0|0,0,2]=4 9100 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000225692_100011206558 [0,2,0,0,0,0|0,0,2]=4 9101 B11R0.62 C#CCN(C)CCC(=O)OCC 2230a_100000745921_100000038162 [0,2,0,0,0,0|0,0,2]=4 9102 B11R0.62 C#CCN(C)CCC(=O)OCC 34a_100000225692_100000765890 [0,2,0,0,0,0|0,0,2]=4 9103 B11R0.62 C/C=C/C(C)OCC(=O)OCC 34a_200102604097_100000188475 [0,2,0,0,0,0|0,0,2]=4 9104 B11R0.62 C=CCC(=O)CCC(=O)OCC 1458a_100000183558_100000210623 [0,2,0,0,0,0|0,0,2]=4 9105 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000225617_100011206558 [0,2,0,0,0,0|0,0,2]=4 9106 B11R0.62 C=CCN(C)CCC(=O)OCC 2230a_100000745921_100000210623 [0,2,0,0,0,0|0,0,2]=4 9107 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000225617_100011206558 [0,2,0,0,0,0|0,0,2]=4 9108 B11R0.62 C=CCN(C)CCC(=O)OCC 269982a_100000745921_100000210623 [0,2,0,0,0,0|0,0,2]=4 9109 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 34a_100000731007_100000188475 [0,2,0,0,0,0|0,0,2]=4 9110 B11R0.62 C=CC[C@@H](C)OCC(=O)OCC 7a_100000731007_100000188475 [0,2,0,0,0,0|0,0,2]=4 9111 B11R0.62 C=COC(=O)CNC(C)CCC 2230a_100000741246_100000036128 [0,2,0,0,0,0|0,0,2]=4 9112 B11R0.62 C=COC(=O)COC(C)CCC 34a_100000764384_100000036128 [0,2,0,0,0,0|0,0,2]=4 9113 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000036128_100000766640 [0,2,0,0,0,0|0,0,2]=4 9114 B11R0.62 C=COC(=O)CSC(C)CCC 62a_100000766640_100000036128 [0,2,0,0,0,0|0,0,2]=4 9115 B11R0.62 CC#CC(C)OCC(=O)OCC 34a_100011216543_100000188475 [0,2,0,0,0,0|0,0,2]=4 9116 B11R0.62 CCCC(=O)C=CC(=O)OCC 1458a_100000210415_100000210303 [0,2,0,0,0,0|0,0,2]=4 9117 B11R0.62 CCCC(=O)CCC(=O)NCC 1458a_100000199579_100000210303 [0,2,0,0,0,0|1,0,0]=3 9118 B11R0.62 CCCC(=O)CCC(=O)OCC 1458a_100000183558_100000210303 [0,2,0,0,0,0|0,0,0]=2 9119 B11R0.62 CCCC(=O)CNC(=O)OCC 1458a_100000190774_100000210303 [0,2,0,0,0,0|0,0,1]=3 9120 B11R0.62 CCCC(=O)CNC(C)CCC 2230a_100000741246_100000747444 [0,2,0,0,0,0|1,0,0]=3 9121 B11R0.62 CCCC(=O)CN[C@H](C)CCO 2230a_100000706166_100000747444 [0,2,0,0,0,0|2,0,0]=4 9122 B11R0.62 CCCC(=O)CN[C@H](C)COC 2230a_100000764878_100000747444 [0,2,0,0,0,0|2,0,0]=4 9123 B11R0.62 CCCC(=O)COC(=O)CCC 1458a_100000211992_100000034017 [0,2,0,0,0,0|1,0,1]=4 9124 B11R0.62 CCCC(=O)COC(C)CCC 7a_100000764384_100000747444 [0,2,0,0,0,0|1,0,0]=3 9125 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000747444_100000766640 [0,2,0,0,0,0|1,0,0]=3 9126 B11R0.62 CCCC(=O)CSC(C)CCC 62a_100000766640_100000747444 [0,2,0,0,0,0|1,0,0]=3 9127 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100000747444_100009893172 [0,2,0,0,0,0|2,0,0]=4 9128 B11R0.62 CCCC(=O)CSC(C)CCO 62a_100009893172_100000747444 [0,2,0,0,0,0|2,0,0]=4 9129 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000747444_100000765312 [0,2,0,0,0,0|2,0,0]=4 9130 B11R0.62 CCCC(=O)CSC(C)COC 62a_100000765312_100000747444 [0,2,0,0,0,0|2,0,0]=4 9131 B11R0.62 CCCC(=O)NCC(=O)NCC 11a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 9132 B11R0.62 CCCC(=O)NCC(=O)NCC 1626a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 9133 B11R0.62 CCCC(=O)NCC(=O)NCC 240690a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 9134 B11R0.62 CCCC(=O)NCC(=O)NCC 527a_100016988866_100000211992 [0,2,0,0,0,0|1,0,1]=4 9135 B11R0.62 CCCC(=O)NCC(=O)OCC 188690a_100000741813_100000211992 [0,2,0,0,0,0|0,0,1]=3 9136 B11R0.62 CCCC(=O)NCC(O)COC 240690a_100000756049_100000211992 [0,2,0,0,0,0|2,0,0]=4 9137 B11R0.62 CCCC(=O)NCC(O)COC 527a_100000756049_100000211992 [0,2,0,0,0,0|2,0,0]=4 9138 B11R0.62 CCCC(=O)OCN(C)CCC 2230a_100000747261_100000034017 [0,2,0,0,0,0|2,0,0]=4 9139 B11R0.62 CCCC(=O)OCN(C)CCC 269982a_100000747261_100000034017 [0,2,0,0,0,0|2,0,0]=4 9140 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100000741246_100000183381 [0,2,0,0,0,0|1,0,0]=3 9141 B11R0.62 CCCC(C)NCC(=O)NCC 2230a_100016988866_100000766640 [0,2,0,0,0,0|1,0,0]=3 9142 B11R0.62 CCCC(C)NCC(=O)NCC 270004a_100016988866_100000211909 [0,2,0,0,0,0|1,0,0]=3 9143 B11R0.62 CCCC(C)NCC(=O)NCO 2230a_100000741246_100000185155 [0,2,0,0,0,0|2,0,0]=4 9144 B11R0.62 CCCC(C)NCC(=O)OCC 2230a_100000741246_100000188475 [0,2,0,0,0,0|0,0,0]=2 9145 B11R0.62 CCCC(C)OCC(=O)NCC 34a_100000764384_100000183381 [0,2,0,0,0,0|1,0,0]=3 9146 B11R0.62 CCCC(C)OCC(=O)NCC 7a_100000764384_100000183381 [0,2,0,0,0,0|1,0,0]=3 9147 B11R0.62 CCCC(C)OCC(=O)NCO 34a_100000764384_100000185155 [0,2,0,0,0,0|2,0,0]=4 9148 B11R0.62 CCCC(C)OCC(=O)NCO 7a_100000764384_100000185155 [0,2,0,0,0,0|2,0,0]=4 9149 B11R0.62 CCCC(C)OCC(=O)OCC 34a_100000764384_100000188475 [0,2,0,0,0,0|0,0,0]=2 9150 B11R0.62 CCCC(C)OCC(=O)OCC 7a_100000764384_100000188475 [0,2,0,0,0,0|0,0,0]=2 9151 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000183381_100000766640 [0,2,0,0,0,0|1,0,0]=3 9152 B11R0.62 CCCC(C)SCC(=O)NCC 62a_100000766640_100000183381 [0,2,0,0,0,0|1,0,0]=3 9153 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000185155_100000766640 [0,2,0,0,0,0|2,0,0]=4 9154 B11R0.62 CCCC(C)SCC(=O)NCO 62a_100000766640_100000185155 [0,2,0,0,0,0|2,0,0]=4 9155 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000188475_100000766640 [0,2,0,0,0,0|0,0,0]=2 9156 B11R0.62 CCCC(C)SCC(=O)OCC 62a_100000766640_100000188475 [0,2,0,0,0,0|0,0,0]=2 9157 B11R0.62 CCCN(C)CCC(=O)NCC 2230a_100000747261_100000737597 [0,2,0,0,0,0|1,0,0]=3 9158 B11R0.62 CCCN(C)CCC(=O)NCC 269982a_100000747261_100000737597 [0,2,0,0,0,0|1,0,0]=3 9159 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000745921_100000210303 [0,2,0,0,0,0|0,0,0]=2 9160 B11R0.62 CCCN(C)CCC(=O)OCC 2230a_100000747261_100011206558 [0,2,0,0,0,0|0,0,0]=2 9161 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000745921_100000210303 [0,2,0,0,0,0|0,0,0]=2 9162 B11R0.62 CCCN(C)CCC(=O)OCC 269982a_100000747261_100011206558 [0,2,0,0,0,0|0,0,0]=2 9163 B11R0.62 CCNC(=O)CCC(=O)CCF 1458a_100000199579_100011217306 [0,2,0,0,0,0|1,0,1]=4 9164 B11R0.62 CCNC(=O)CCC(=O)CCO 1458a_100000199579_100000211926 [0,2,0,0,0,0|1,0,1]=4 9165 B11R0.62 CCNC(=O)CCC(=O)NCC 11a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 9166 B11R0.62 CCNC(=O)CCC(=O)NCC 240690a_100015525214_100000199579 [0,2,0,0,0,0|1,0,1]=4 9167 B11R0.62 CCNC(=O)CCC(=O)OCC 11a_100015525214_100000183558 [0,2,0,0,0,0|0,0,1]=3 9168 B11R0.62 CCNC(=O)CCC(=O)OCC 240690a_100015525214_100000183558 [0,2,0,0,0,0|0,0,1]=3 9169 B11R0.62 CCNC(=O)CCN(C)CCO 2230a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 9170 B11R0.62 CCNC(=O)CCN(C)CCO 269982a_100000210263_100000737597 [0,2,0,0,0,0|2,0,0]=4 9171 B11R0.62 CCNC(=O)CNC(=O)OCC 11a_100015525214_100000190774 [0,2,0,0,0,0|1,0,1]=4 9172 B11R0.62 CCNC(=O)CNC(=O)OCC 240690a_100015525214_100000190774 [0,2,0,0,0,0|1,0,1]=4 9173 B11R0.62 CCNC(=O)CNC(=O)OCC 527a_100015525214_100000190774 [0,2,0,0,0,0|1,0,1]=4 9174 B11R0.62 CCNC(=O)CNC(C)CCO 2230a_100016988866_100009893172 [0,2,0,0,0,0|2,0,0]=4 9175 B11R0.62 CCNC(=O)CNC(C)COC 2230a_100016988866_100000765312 [0,2,0,0,0,0|2,0,0]=4 9176 B11R0.62 CCNC(=O)CNC(C)COC 270004a_100016988866_100000749346 [0,2,0,0,0,0|2,0,0]=4 9177 B11R0.62 CCNC(=O)CNC(C)CSC 270004a_100016988866_100011216314 [0,2,0,0,0,0|2,0,0]=4 9178 B11R0.62 CCNC(=O)CN[C@H](C)CCO 2230a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 9179 B11R0.62 CCNC(=O)CN[C@H](C)CCO 34a_100000706166_100000183381 [0,2,0,0,0,0|2,0,0]=4 9180 B11R0.62 CCNC(=O)CN[C@H](C)COC 2230a_100000764878_100000183381 [0,2,0,0,0,0|2,0,0]=4 9181 B11R0.62 CCNC(=O)COC(C)CCBr 34a_100012276601_100000183381 [0,2,0,0,0,0|2,0,0]=4 9182 B11R0.62 CCNC(=O)CO[C@H](C)COC 34a_100011934205_100000183381 [0,2,0,0,0,0|2,0,0]=4 9183 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100000183381_100009893172 [0,2,0,0,0,0|2,0,0]=4 9184 B11R0.62 CCNC(=O)CSC(C)CCO 62a_100009893172_100000183381 [0,2,0,0,0,0|2,0,0]=4 9185 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000183381_100000765312 [0,2,0,0,0,0|2,0,0]=4 9186 B11R0.62 CCNC(=O)CSC(C)COC 62a_100000765312_100000183381 [0,2,0,0,0,0|2,0,0]=4 9187 B11R0.62 CCNC(=O)NCC(O)COC 2708a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 9188 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100000756049_100015525214 [0,2,0,0,0,0|2,0,0]=4 9189 B11R0.62 CCNC(=O)NCC(O)COC 273464a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 9190 B11R0.62 CCNC(=O)NCC(O)COC 512a_100000756049_100015525214 [0,2,0,0,0,0|2,0,0]=4 9191 B11R0.62 CCNC(=O)NCC(O)COC 512a_100015525214_100000756049 [0,2,0,0,0,0|2,0,0]=4 9192 B11R0.62 CCNC(C)CCC(=O)OCC 2230a_100015525214_100000748298 [0,2,0,0,0,0|0,0,0]=2 9193 B11R0.62 CCOC(=O)CCC(=O)CC#N 1458a_100000183558_100011214920 [0,2,0,0,0,0|0,0,2]=4 9194 B11R0.62 CCOC(=O)CCC(=O)CCF 1458a_100000183558_100011217306 [0,2,0,0,0,0|0,0,1]=3 9195 B11R0.62 CCOC(=O)CCC(=O)CCO 1458a_100000183558_100000211926 [0,2,0,0,0,0|0,0,1]=3 9196 B11R0.62 CCOC(=O)CCC(C)OCC 34a_100121572206_100000748298 [0,2,0,0,0,0|0,0,0]=2 9197 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000210202_100000748298 [0,2,0,0,0,0|0,0,0]=2 9198 B11R0.62 CCOC(=O)CCC(C)SCC 62a_100000748298_100000210202 [0,2,0,0,0,0|0,0,0]=2 9199 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100000748298_100015361967 [0,2,0,0,0,0|1,0,0]=3 9200 B11R0.62 CCOC(=O)CCC(C)SCF 62a_100015361967_100000748298 [0,2,0,0,0,0|1,0,0]=3 9201 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000745921_100011215382 [0,2,0,0,0,0|1,0,1]=4 9202 B11R0.62 CCOC(=O)CCN(C)CC#N 2230a_100000748184_100011206558 [0,2,0,0,0,0|1,0,1]=4 9203 B11R0.62 CCOC(=O)CCN(C)CC#N 269982a_100000745921_100011214920 [0,2,0,0,0,0|1,0,1]=4 9204 B11R0.62 CCOC(=O)CCN(C)CC=O 2230a_100000745921_200015260668 [0,2,0,0,0,0|1,0,1]=4 9205 B11R0.62 CCOC(=O)CCN(C)CC=O 269982a_100000745921_200015260668 [0,2,0,0,0,0|1,0,1]=4 9206 B11R0.62 CCOC(=O)CCN(C)CCF 2230a_100000745921_100011217306 [0,2,0,0,0,0|1,0,0]=3 9207 B11R0.62 CCOC(=O)CCN(C)CCF 269982a_100000745921_100011217306 [0,2,0,0,0,0|1,0,0]=3 9208 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000210263_100011206558 [0,2,0,0,0,0|1,0,0]=3 9209 B11R0.62 CCOC(=O)CCN(C)CCO 2230a_100000745921_100000211926 [0,2,0,0,0,0|1,0,0]=3 9210 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000210263_100011206558 [0,2,0,0,0,0|1,0,0]=3 9211 B11R0.62 CCOC(=O)CCN(C)CCO 269982a_100000745921_100000211926 [0,2,0,0,0,0|1,0,0]=3 9212 B11R0.62 CCOC(=O)CCN(C)COC 2230a_100000745921_100000766300 [0,2,0,0,0,0|1,0,0]=3 9213 B11R0.62 CCOC(=O)CCN(C)COC 269982a_100000745921_100000766300 [0,2,0,0,0,0|1,0,0]=3 9214 B11R0.62 CCOC(=O)CCN(C)CSC 2230a_100000745921_100011218213 [0,2,0,0,0,0|1,0,0]=3 9215 B11R0.62 CCOC(=O)CCN(C)CSC 269982a_100000745921_100011218213 [0,2,0,0,0,0|1,0,0]=3 9216 B11R0.62 CCOC(=O)CNC(=O)CNC 2230a_106832991635_100011215850 [0,2,0,0,0,0|1,0,1]=4 9217 B11R0.62 CCOC(=O)CNC(=O)CNC 34a_100102657272_100011215850 [0,2,0,0,0,0|1,0,1]=4 9218 B11R0.62 CCOC(=O)CNC(=O)CNC 7a_106832991635_100011215850 [0,2,0,0,0,0|1,0,1]=4 9219 B11R0.62 CCOC(=O)CNC(=O)COC 188690a_100000741813_100000210968 [0,2,0,0,0,0|1,0,1]=4 9220 B11R0.62 CCOC(=O)CNC(=O)COC 34a_100138415774_100011215850 [0,2,0,0,0,0|1,0,1]=4 9221 B11R0.62 CCOC(=O)CNC(=O)CSC 188690a_100000741813_100000184570 [0,2,0,0,0,0|1,0,1]=4 9222 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_100011215850_200000210301 [0,2,0,0,0,0|1,0,1]=4 9223 B11R0.62 CCOC(=O)CNC(=O)CSC 62a_200000210301_100011215850 [0,2,0,0,0,0|1,0,1]=4 9224 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_100011215850_200025704644 [0,2,0,0,0,0|1,0,1]=4 9225 B11R0.62 CCOC(=O)CNC(=O)CS[13CH3] 62a_200025704644_100011215850 [0,2,0,0,0,0|1,0,1]=4 9226 B11R0.62 CCOC(=O)CN[C@@H](C)CC#N 2230a_100016994482_100000188475 [0,2,0,0,0,0|1,0,1]=4 9227 B11R0.62 CCOC(=O)CN[C@H](C)CCO 2230a_100000706166_100000188475 [0,2,0,0,0,0|1,0,0]=3 9228 B11R0.62 CCOC(=O)CN[C@H](C)CCO 34a_100000706166_100000188475 [0,2,0,0,0,0|1,0,0]=3 9229 B11R0.62 CCOC(=O)CN[C@H](C)COC 2230a_100000764878_100000188475 [0,2,0,0,0,0|1,0,0]=3 9230 B11R0.62 CCOC(=O)COC(C)CCBr 34a_100012276601_100000188475 [0,2,0,0,0,0|1,0,0]=3 9231 B11R0.62 CCOC(=O)CO[C@H](C)COC 34a_100011934205_100000188475 [0,2,0,0,0,0|1,0,0]=3 9232 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100000188475_100009813641 [0,2,0,0,0,0|1,0,1]=4 9233 B11R0.62 CCOC(=O)CSC(C)CC#N 62a_100009813641_100000188475 [0,2,0,0,0,0|1,0,1]=4 9234 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100000188475_100009893172 [0,2,0,0,0,0|1,0,0]=3 9235 B11R0.62 CCOC(=O)CSC(C)CCO 62a_100009893172_100000188475 [0,2,0,0,0,0|1,0,0]=3 9236 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000188475_100000765312 [0,2,0,0,0,0|1,0,0]=3 9237 B11R0.62 CCOC(=O)CSC(C)COC 62a_100000765312_100000188475 [0,2,0,0,0,0|1,0,0]=3 9238 B11R0.62 CCOC(=O)NCC(=O)CCF 1458a_100000190774_100011217306 [0,2,0,0,0,0|1,0,1]=4 9239 B11R0.62 CCOC(=O)NCC(=O)CCO 1458a_100000190774_100000211926 [0,2,0,0,0,0|1,0,1]=4 9240 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100000692101_100000210757 [0,2,0,0,0,0|1,0,1]=4 9241 B11R0.81 C#CCCC(=O)CCCCCC 1458a_100102632555_100000753159 [0,2,0,0,0,0|1,0,1]=4 9242 B11R0.81 C#CCCC(=O)CCCCCF 1458a_100000692101_100000729378 [0,2,0,0,0,0|1,0,1]=4 9243 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100000692101_100000746330 [0,2,0,0,0,0|1,0,1]=4 9244 B11R0.81 C#CCCC(=O)CCCCCO 1458a_100102619762_100000753159 [0,2,0,0,0,0|1,0,1]=4 9245 B11R0.81 C#CCCC(=O)CCCCOC 1458a_100000692101_100000755781 [0,2,0,0,0,0|1,0,1]=4 9246 B11R0.81 C#CCCC(=O)CCCOCC 1458a_100000692101_100012232248 [0,2,0,0,0,0|1,0,1]=4 9247 B11R0.81 C#CCCC(=O)CCOCCC 1458a_100000692101_100011215938 [0,2,0,0,0,0|1,0,1]=4 9248 B11R0.81 C#CCCC(=O)CCOCCC 34a_100011064465_100000210303 [0,2,0,0,0,0|1,0,1]=4 9249 B11R0.81 C#CCCC(=O)CCOCCC 7a_100011064465_100000210303 [0,2,0,0,0,0|1,0,1]=4 9250 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000692101_100011995733 [0,2,0,0,0,0|1,0,1]=4 9251 B11R0.81 C#CCCC(=O)COCCCC 1458a_100000757543_100000753159 [0,2,0,0,0,0|1,0,1]=4 9252 B11R0.81 C#CCCC(=O)CSCCCC 1458a_100000191162_100000753159 [0,2,0,0,0,0|1,0,1]=4 9253 B11R0.81 C#CCCC(=O)NCCCCC 11a_100000209983_100000692101 [0,2,0,0,0,0|1,0,1]=4 9254 B11R0.81 C#CCCC(=O)NCCCCC 1626a_100000209983_100000692101 [0,2,0,0,0,0|1,0,1]=4 9255 B11R0.81 C#CCCC(=O)NCCCCC 240690a_100000209983_100000692101 [0,2,0,0,0,0|1,0,1]=4 9256 B11R0.81 C#CCCC(=O)NCCCCC 527a_100000209983_100000692101 [0,2,0,0,0,0|1,0,1]=4 9257 B11R0.81 C#CCCCCC(=O)C#CCC 1458a_100011827653_100010269958 [0,2,0,0,0,0|1,0,1]=4 9258 B11R0.81 C#CCCCCC(=O)C=CCC 1458a_100000212282_100010269958 [0,2,0,0,0,0|1,0,1]=4 9259 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000210183_100010269958 [0,2,0,0,0,0|1,0,1]=4 9260 B11R0.81 C#CCCCCC(=O)CCCC 1458a_100000696528_100000210211 [0,2,0,0,0,0|1,0,1]=4 9261 B11R0.81 C#CCCCCC(=O)CCCF 1458a_100000696528_100011934791 [0,2,0,0,0,0|1,0,1]=4 9262 B11R0.81 C#CCCCCC(=O)CCCO 1458a_100000696528_100011215043 [0,2,0,0,0,0|1,0,1]=4 9263 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000696528_100000233755 [0,2,0,0,0,0|1,0,1]=4 9264 B11R0.81 C#CCCCCC(=O)CCOC 1458a_100000749529_100010269958 [0,2,0,0,0,0|1,0,1]=4 9265 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000174002_100010269958 [0,2,0,0,0,0|1,0,1]=4 9266 B11R0.81 C#CCCCCC(=O)CCSC 1458a_100000696528_100000751147 [0,2,0,0,0,0|1,0,1]=4 9267 B11R0.81 C#CCCCCC(=O)COCC 1458a_100000211967_100010269958 [0,2,0,0,0,0|0,0,1]=3 9268 B11R0.81 C#CCCCCC(=O)CSCC 1458a_100000230394_100010269958 [0,2,0,0,0,0|0,1,1]=4 9269 B11R0.81 C#CCCCCC(=O)NCCC 11a_100020643023_100000696528 [0,2,0,0,0,0|1,0,1]=4 9270 B11R0.81 C#CCCCCC(=O)NCCC 1626a_100020643023_100000696528 [0,2,0,0,0,0|1,0,1]=4 9271 B11R0.81 C#CCCCCC(=O)NCCC 240690a_100020643023_100000696528 [0,2,0,0,0,0|1,0,1]=4 9272 B11R0.81 C#CCCCCC(=O)NCCC 527a_100020643023_100000696528 [0,2,0,0,0,0|1,0,1]=4 9273 B11R0.81 C#CCCCCC(=O)NCCF 11a_100000724931_100000696528 [0,2,0,0,0,0|1,0,1]=4 9274 B11R0.81 C#CCCCCC(=O)NCCF 1626a_100000724931_100000696528 [0,2,0,0,0,0|1,0,1]=4 9275 B11R0.81 C#CCCCCC(=O)NCCF 240690a_100000724931_100000696528 [0,2,0,0,0,0|1,0,1]=4 9276 B11R0.81 C#CCCCCC(=O)NCCF 527a_100000724931_100000696528 [0,2,0,0,0,0|1,0,1]=4 9277 B11R0.81 C#CCCCCC(=O)NCCO 240690a_100000210304_100000696528 [0,2,0,0,0,0|1,0,1]=4 9278 B11R0.81 C#CCCCCC(=O)NCCO 527a_100000210304_100000696528 [0,2,0,0,0,0|1,0,1]=4 9279 B11R0.81 C#CCCCCC(=O)NNCC 22a_100000756455_100000696528 [0,2,0,0,0,0|1,0,1]=4 9280 B11R0.81 C#CCCCNC(=O)COCC 11a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 9281 B11R0.81 C#CCCCNC(=O)COCC 1626a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 9282 B11R0.81 C#CCCCNC(=O)COCC 240690a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 9283 B11R0.81 C#CCCCNC(=O)COCC 527a_100000718082_100000211967 [0,2,0,0,0,0|0,0,2]=4 9284 B11R0.81 C#CCCNCC(=O)OCCC 34a_100000755551_200011215008 [0,2,0,0,0,0|0,0,2]=4 9285 B11R0.81 C#CCCOCC(=O)OCCC 34a_100011215631_200011215008 [0,2,0,0,0,0|0,0,2]=4 9286 B11R0.81 C#CCCSCC(=O)OCCC 62a_100000688953_200011215008 [0,2,0,0,0,0|0,0,2]=4 9287 B11R0.81 C#CCCSCC(=O)OCCC 62a_200011215008_100000688953 [0,2,0,0,0,0|0,0,2]=4 9288 B11R0.81 C#CCNC(=O)CCCCCC 11a_100000212058_100102632555 [0,2,0,0,0,0|1,0,1]=4 9289 B11R0.81 C#CCNC(=O)CCCCCC 1626a_100000212058_100102632555 [0,2,0,0,0,0|1,0,1]=4 9290 B11R0.81 C#CCNC(=O)CCCCCC 240690a_100000212058_100102632555 [0,2,0,0,0,0|1,0,1]=4 9291 B11R0.81 C#CCNC(=O)CCCCCC 527a_100000212058_100102632555 [0,2,0,0,0,0|1,0,1]=4 9292 B11R0.81 C#CCNC(=O)CCCCCO 240690a_100000212058_100102619762 [0,2,0,0,0,0|1,0,1]=4 9293 B11R0.81 C#CCNC(=O)CNCCCC 2230a_100000747989_100000210211 [0,2,0,0,0,0|1,0,1]=4 9294 B11R0.81 C#CCNC(=O)CNCCCC 34a_100000747989_100000210210 [0,2,0,0,0,0|1,0,1]=4 9295 B11R0.81 C#CCNC(=O)COCCCC 11a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 9296 B11R0.81 C#CCNC(=O)COCCCC 1626a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 9297 B11R0.81 C#CCNC(=O)COCCCC 240690a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 9298 B11R0.81 C#CCNC(=O)COCCCC 527a_100000212058_100000757543 [0,2,0,0,0,0|1,0,1]=4 9299 B11R0.81 C#CCNC(=O)CSCCCC 11a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 9300 B11R0.81 C#CCNC(=O)CSCCCC 1626a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 9301 B11R0.81 C#CCNC(=O)CSCCCC 240690a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 9302 B11R0.81 C#CCNC(=O)CSCCCC 527a_100000212058_100000191162 [0,2,0,0,0,0|1,0,1]=4 9303 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 9304 B11R0.81 C#CCNC(=O)NCCCCC 2708a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 9305 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 9306 B11R0.81 C#CCNC(=O)NCCCCC 273464a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 9307 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000209983_100000212058 [0,2,0,0,0,0|1,0,1]=4 9308 B11R0.81 C#CCNC(=O)NCCCCC 512a_100000212058_100000209983 [0,2,0,0,0,0|1,0,1]=4 9309 B11R0.81 C#CCOCCC(=O)COCC 1458a_100000211967_100010402529 [0,2,0,0,0,0|0,0,2]=4 9310 B11R0.81 C/C=C/CC(=O)CCCCCC 1458a_100102632555_100102629194 [0,2,0,0,0,0|1,0,1]=4 9311 B11R0.81 C/C=C/CC(=O)CCCCCO 1458a_100102619762_100102629194 [0,2,0,0,0,0|1,0,1]=4 9312 B11R0.81 C/C=C/CC(=O)COCCCC 1458a_100000757543_100102629194 [0,2,0,0,0,0|1,0,1]=4 9313 B11R0.81 C/C=C/CC(=O)CSCCCC 1458a_100000191162_100102629194 [0,2,0,0,0,0|1,0,1]=4 9314 B11R0.81 C/C=C/COCC(=O)OCCC 34a_100016270725_200011215008 [0,2,0,0,0,0|0,0,2]=4 9315 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_100102629194_200011215008 [0,2,0,0,0,0|0,0,2]=4 9316 B11R0.81 C/C=C/CSCC(=O)OCCC 62a_200011215008_100102629194 [0,2,0,0,0,0|0,0,2]=4 9317 B11R0.81 C=C(CNCCCF)OCOC 34a_100015189416_100000042856 [0,2,0,0,0,0|2,0,0]=4 9318 B11R0.81 C=C(COCCCBr)OCOC 34a_100011217188_100000042856 [0,2,0,0,0,0|2,0,0]=4 9319 B11R0.81 C=C(COCCCC)OCOC 34a_100000210227_100000042856 [0,2,0,0,0,0|1,0,0]=3 9320 B11R0.81 C=C(COCCCCl)OCOC 34a_100000230001_100000042856 [0,2,0,0,0,0|2,0,0]=4 9321 B11R0.81 C=C(COCCCF)OCOC 34a_100000759539_100000042856 [0,2,0,0,0,0|2,0,0]=4 9322 B11R0.81 C=C(COCCCN)OCOC 34a_100000182051_100000042856 [0,2,0,0,0,0|2,0,0]=4 9323 B11R0.81 C=C(COCCOC)OCOC 34a_100000210237_100000042856 [0,2,0,0,0,0|2,0,0]=4 9324 B11R0.81 C=C(COCCSC)OCOC 34a_100000230434_100000042856 [0,2,0,0,0,0|2,0,0]=4 9325 B11R0.81 C=C(CSCCCC)OCOC 62a_100000042856_100000210210 [0,2,0,0,0,0|1,0,0]=3 9326 B11R0.81 C=C(CSCCCC)OCOC 62a_100000210211_100000042856 [0,2,0,0,0,0|1,0,0]=3 9327 B11R0.81 C=C(CSCCCF)OCOC 62a_100000042856_100011934791 [0,2,0,0,0,0|2,0,0]=4 9328 B11R0.81 C=C(CSCCCF)OCOC 62a_100011934791_100000042856 [0,2,0,0,0,0|2,0,0]=4 9329 B11R0.81 C=C(CSCCCO)OCOC 62a_100000042856_100011215043 [0,2,0,0,0,0|2,0,0]=4 9330 B11R0.81 C=C(CSCCCO)OCOC 62a_100011215043_100000042856 [0,2,0,0,0,0|2,0,0]=4 9331 B11R0.81 C=C(CSCCOC)OCOC 62a_100000042856_100000233755 [0,2,0,0,0,0|2,0,0]=4 9332 B11R0.81 C=C(CSCCOC)OCOC 62a_100000233755_100000042856 [0,2,0,0,0,0|2,0,0]=4 9333 B11R0.81 C=C(CSCCSC)OCOC 62a_100000042856_100000751147 [0,2,0,0,0,0|2,0,0]=4 9334 B11R0.81 C=C(CSCCSC)OCOC 62a_100000212216_100000042856 [0,2,0,0,0,0|2,0,0]=4 9335 B11R0.81 C=C(CSCOCC)OCOC 62a_100000042856_100000739092 [0,2,0,0,0,0|2,0,0]=4 9336 B11R0.81 C=C(CSCOCC)OCOC 62a_100000739092_100000042856 [0,2,0,0,0,0|2,0,0]=4 9337 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100000749702_100000210757 [0,2,0,0,0,0|1,0,1]=4 9338 B11R0.81 C=CCCC(=O)CCCCCC 1458a_100102632555_100000754431 [0,2,0,0,0,0|1,0,1]=4 9339 B11R0.81 C=CCCC(=O)CCCCCF 1458a_100000749702_100000729378 [0,2,0,0,0,0|1,0,1]=4 9340 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100000749702_100000746330 [0,2,0,0,0,0|1,0,1]=4 9341 B11R0.81 C=CCCC(=O)CCCCCO 1458a_100102619762_100000754431 [0,2,0,0,0,0|1,0,1]=4 9342 B11R0.81 C=CCCC(=O)CCCCOC 1458a_100000749702_100000755781 [0,2,0,0,0,0|1,0,1]=4 9343 B11R0.81 C=CCCC(=O)CCCOCC 1458a_100000749702_100012232248 [0,2,0,0,0,0|1,0,1]=4 9344 B11R0.81 C=CCCC(=O)CCOCCC 1458a_100000749702_100011215938 [0,2,0,0,0,0|1,0,1]=4 9345 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000749702_100011995733 [0,2,0,0,0,0|1,0,1]=4 9346 B11R0.81 C=CCCC(=O)COCCCC 1458a_100000757543_100000754431 [0,2,0,0,0,0|1,0,1]=4 9347 B11R0.81 C=CCCC(=O)CSCCCC 1458a_100000191162_100000754431 [0,2,0,0,0,0|1,0,1]=4 9348 B11R0.81 C=CCCC(=O)NCCCCC 11a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 9349 B11R0.81 C=CCCC(=O)NCCCCC 1626a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 9350 B11R0.81 C=CCCC(=O)NCCCCC 240690a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 9351 B11R0.81 C=CCCC(=O)NCCCCC 527a_100000209983_100000749702 [0,2,0,0,0,0|1,0,1]=4 9352 B11R0.81 C=CCCCCC(=O)C#CCC 1458a_100011827653_100011215482 [0,2,0,0,0,0|1,0,1]=4 9353 B11R0.81 C=CCCCCC(=O)C=CCC 1458a_100000212282_100011215482 [0,2,0,0,0,0|1,0,1]=4 9354 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100000210183_100011215482 [0,2,0,0,0,0|1,0,1]=4 9355 B11R0.81 C=CCCCCC(=O)CCCC 1458a_100011215552_100000210211 [0,2,0,0,0,0|1,0,1]=4 9356 B11R0.81 C=CCCCCC(=O)CCCF 1458a_100011215552_100011934791 [0,2,0,0,0,0|1,0,1]=4 9357 B11R0.81 C=CCCCCC(=O)CCCO 1458a_100011215552_100011215043 [0,2,0,0,0,0|1,0,1]=4 9358 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100000749529_100011215482 [0,2,0,0,0,0|1,0,1]=4 9359 B11R0.81 C=CCCCCC(=O)CCOC 1458a_100011215552_100000233755 [0,2,0,0,0,0|1,0,1]=4 9360 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100000174002_100011215482 [0,2,0,0,0,0|1,0,1]=4 9361 B11R0.81 C=CCCCCC(=O)CCSC 1458a_100011215552_100000751147 [0,2,0,0,0,0|1,0,1]=4 9362 B11R0.81 C=CCCCCC(=O)COCC 1458a_100000211967_100011215482 [0,2,0,0,0,0|0,0,1]=3 9363 B11R0.81 C=CCCCCC(=O)CSCC 1458a_100000230394_100011215482 [0,2,0,0,0,0|0,1,1]=4 9364 B11R0.81 C=CCCCCC(=O)NCCC 11a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 9365 B11R0.81 C=CCCCCC(=O)NCCC 1626a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 9366 B11R0.81 C=CCCCCC(=O)NCCC 240690a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 9367 B11R0.81 C=CCCCCC(=O)NCCC 527a_100020643023_100011215552 [0,2,0,0,0,0|1,0,1]=4 9368 B11R0.81 C=CCCCCC(=O)NCCF 11a_100000724931_100011215552 [0,2,0,0,0,0|1,0,1]=4 9369 B11R0.81 C=CCCCCC(=O)NCCF 1626a_100000724931_100011215552 [0,2,0,0,0,0|1,0,1]=4 9370 B11R0.81 C=CCCCCC(=O)NCCF 240690a_100000724931_100011215552 [0,2,0,0,0,0|1,0,1]=4 9371 B11R0.81 C=CCCCCC(=O)NCCF 527a_100000724931_100011215552 [0,2,0,0,0,0|1,0,1]=4 9372 B11R0.81 C=CCCCCC(=O)NCCO 240690a_100000210304_100011215552 [0,2,0,0,0,0|1,0,1]=4 9373 B11R0.81 C=CCCCCC(=O)NCCO 527a_100000210304_100011215552 [0,2,0,0,0,0|1,0,1]=4 9374 B11R0.81 C=CCCCCC(=O)NNCC 22a_100000756455_100011215552 [0,2,0,0,0,0|1,0,1]=4 9375 B11R0.81 C=CCCCNC(=O)COCC 11a_100000700776_100000211967 [0,2,0,0,0,0|0,0,2]=4 9376 B11R0.81 C=CCCCNC(=O)COCC 1626a_100000700776_100000211967 [0,2,0,0,0,0|0,0,2]=4 9377 B11R0.81 C=CCCCNC(=O)COCC 240690a_100000700776_100000211967 [0,2,0,0,0,0|0,0,2]=4 9378 B11R0.81 C=CCCCNC(=O)COCC 527a_100000700776_100000211967 [0,2,0,0,0,0|0,0,2]=4 9379 B11R0.81 C=CCCNCC(=O)OCCC 2230a_100015191253_200011215008 [0,2,0,0,0,0|0,0,2]=4 9380 B11R0.81 C=CCCOCC(=O)OCCC 34a_100011205117_200011215008 [0,2,0,0,0,0|0,0,2]=4 9381 B11R0.81 C=CCCSCC(=O)OCCC 62a_100000754431_200011215008 [0,2,0,0,0,0|0,0,2]=4 9382 B11R0.81 C=CCCSCC(=O)OCCC 62a_200011215008_100000754431 [0,2,0,0,0,0|0,0,2]=4 9383 B11R0.81 C=CCNC(=O)CCCCCC 1626a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 9384 B11R0.81 C=CCNC(=O)CCCCCC 240690a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 9385 B11R0.81 C=CCNC(=O)CCCCCC 527a_100020586998_100102632555 [0,2,0,0,0,0|1,0,1]=4 9386 B11R0.81 C=CCNC(=O)CCCCCO 240690a_100020586998_100102619762 [0,2,0,0,0,0|1,0,1]=4 9387 B11R0.81 C=CCNC(=O)CCSCCC 62a_100000210303_100011222895 [0,2,0,0,0,0|1,0,1]=4 9388 B11R0.81 C=CCNC(=O)CCSCCC 62a_100011222895_100000210303 [0,2,0,0,0,0|1,0,1]=4 9389 B11R0.81 C=CCNC(=O)CNCCCC 2230a_100000102301_100000183597 [0,2,0,0,0,0|1,0,1]=4 9390 B11R0.81 C=CCNC(=O)CNCCCC 7a_106832991798_100000183597 [0,2,0,0,0,0|1,0,1]=4 9391 B11R0.81 C=CCNC(=O)COCCCC 1626a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 9392 B11R0.81 C=CCNC(=O)COCCCC 240690a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 9393 B11R0.81 C=CCNC(=O)COCCCC 527a_100020586998_100000757543 [0,2,0,0,0,0|1,0,1]=4 9394 B11R0.81 C=CCNC(=O)COCCCC 7a_100000210227_100000183597 [0,2,0,0,0,0|1,0,1]=4 9395 B11R0.81 C=CCNC(=O)CSCCCC 1626a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 9396 B11R0.81 C=CCNC(=O)CSCCCC 240690a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 9397 B11R0.81 C=CCNC(=O)CSCCCC 527a_100020586998_100000191162 [0,2,0,0,0,0|1,0,1]=4 9398 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000183597_100000210210 [0,2,0,0,0,0|1,0,1]=4 9399 B11R0.81 C=CCNC(=O)CSCCCC 62a_100000210211_100000183597 [0,2,0,0,0,0|1,0,1]=4 9400 B11R0.81 C=CCNC(=O)NCCCCC 2708a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 9401 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 9402 B11R0.81 C=CCNC(=O)NCCCCC 273464a_100020586998_100000209983 [0,2,0,0,0,0|1,0,1]=4 9403 B11R0.81 C=CCNC(=O)NCCCCC 512a_100000209983_100020586998 [0,2,0,0,0,0|1,0,1]=4 9404 B11R0.81 C=CCNC(=O)NCCCCC 512a_100020586998_100000209983 [0,2,0,0,0,0|1,0,1]=4 9405 B11R0.81 C=CCOC(=O)CNCCCC 2230a_100000102301_100000033060 [0,2,0,0,0,0|0,0,1]=3 9406 B11R0.81 C=CCOC(=O)CNCCCC 7a_106832991798_100000033060 [0,2,0,0,0,0|0,0,1]=3 9407 B11R0.81 C=CCOC(=O)CNCCCF 2230a_100015189416_100000033060 [0,2,0,0,0,0|1,0,1]=4 9408 B11R0.81 C=CCOC(=O)CNCCCF 34a_100015189416_100000033060 [0,2,0,0,0,0|1,0,1]=4 9409 B11R0.81 C=CCOC(=O)CNCCOC 2230a_100000209980_100000033060 [0,2,0,0,0,0|1,0,1]=4 9410 B11R0.81 C=CCOC(=O)CNCCSC 2230a_100020590264_100000033060 [0,2,0,0,0,0|1,0,1]=4 9411 B11R0.81 C=CCOC(=O)COCCCBr 34a_100011217188_100000033060 [0,2,0,0,0,0|1,0,1]=4 9412 B11R0.81 C=CCOC(=O)COCCCC 34a_100000210227_100000033060 [0,2,0,0,0,0|0,0,1]=3 9413 B11R0.81 C=CCOC(=O)COCCCC 7a_100000210227_100000033060 [0,2,0,0,0,0|0,0,1]=3 9414 B11R0.81 C=CCOC(=O)COCCCCl 34a_100000230001_100000033060 [0,2,0,0,0,0|1,0,1]=4 9415 B11R0.81 C=CCOC(=O)COCCCF 34a_100000759539_100000033060 [0,2,0,0,0,0|1,0,1]=4 9416 B11R0.81 C=CCOC(=O)COCCCN 34a_100000182051_100000033060 [0,2,0,0,0,0|1,0,1]=4 9417 B11R0.81 C=CCOC(=O)COCCOC 34a_100000210237_100000033060 [0,2,0,0,0,0|1,0,1]=4 9418 B11R0.81 C=CCOC(=O)COCCSC 34a_100000230434_100000033060 [0,2,0,0,0,0|1,0,1]=4 9419 B11R0.81 C=CCOC(=O)COCCSC 7a_100000230434_100000033060 [0,2,0,0,0,0|1,0,1]=4 9420 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000033060_100000210210 [0,2,0,0,0,0|0,0,1]=3 9421 B11R0.81 C=CCOC(=O)CSCCCC 62a_100000210211_100000033060 [0,2,0,0,0,0|0,0,1]=3 9422 B11R0.81 C=CCOC(=O)CSCCCF 62a_100000033060_100011934791 [0,2,0,0,0,0|1,0,1]=4 9423 B11R0.81 C=CCOC(=O)CSCCCF 62a_100011934791_100000033060 [0,2,0,0,0,0|1,0,1]=4 9424 B11R0.81 C=CCOC(=O)CSCCCO 62a_100000033060_100011215043 [0,2,0,0,0,0|1,0,1]=4 9425 B11R0.81 C=CCOC(=O)CSCCCO 62a_100011215043_100000033060 [0,2,0,0,0,0|1,0,1]=4 9426 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000033060_100000233755 [0,2,0,0,0,0|1,0,1]=4 9427 B11R0.81 C=CCOC(=O)CSCCOC 62a_100000233755_100000033060 [0,2,0,0,0,0|1,0,1]=4 9428 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000033060_100000751147 [0,2,0,0,0,0|1,0,1]=4 9429 B11R0.81 C=CCOC(=O)CSCCSC 62a_100000212216_100000033060 [0,2,0,0,0,0|1,0,1]=4 9430 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000033060_100000739092 [0,2,0,0,0,0|1,0,1]=4 9431 B11R0.81 C=CCOC(=O)CSCOCC 62a_100000739092_100000033060 [0,2,0,0,0,0|1,0,1]=4 9432 B11R0.81 CC#CCC(=O)CCCCCC 1458a_100102632555_100000748600 [0,2,0,0,0,0|1,0,1]=4 9433 B11R0.81 CC#CCC(=O)CCCCCO 1458a_100102619762_100000748600 [0,2,0,0,0,0|1,0,1]=4 9434 B11R0.81 CC#CCC(=O)COCCCC 1458a_100000757543_100000748600 [0,2,0,0,0,0|1,0,1]=4 9435 B11R0.81 CC#CCC(=O)CSCCCC 1458a_100000191162_100000748600 [0,2,0,0,0,0|1,0,1]=4 9436 B11R0.81 CC#CCNCC(=O)OCCC 2230a_100000685387_200011215008 [0,2,0,0,0,0|0,0,2]=4 9437 B11R0.81 CC#CCNCC(=O)OCCC 34a_100000685387_200011215008 [0,2,0,0,0,0|0,0,2]=4 9438 B11R0.81 CC#CCOCC(=O)OCCC 34a_100000761923_200011215008 [0,2,0,0,0,0|0,0,2]=4 9439 B11R0.81 CC#CCSCC(=O)OCCC 62a_100000748600_200011215008 [0,2,0,0,0,0|0,0,2]=4 9440 B11R0.81 CC#CCSCC(=O)OCCC 62a_200011215008_100000748600 [0,2,0,0,0,0|0,0,2]=4 9441 B11R0.81 CC/C=C\CCC(=O)CCCC 1458a_100000210183_100015370543 [0,2,0,0,0,0|1,0,1]=4 9442 B11R0.81 CC/C=C\CCC(=O)CCOC 1458a_100000749529_100015370543 [0,2,0,0,0,0|1,0,1]=4 9443 B11R0.81 CC/C=C\CCC(=O)CCSC 1458a_100000174002_100015370543 [0,2,0,0,0,0|1,0,1]=4 9444 B11R0.81 CC/C=C\CCC(=O)COCC 1458a_100000211967_100015370543 [0,2,0,0,0,0|0,0,1]=3 9445 B11R0.81 CC/C=C\CCC(=O)CSCC 1458a_100000230394_100015370543 [0,2,0,0,0,0|0,1,1]=4 9446 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100102632555_100000070051 [0,2,0,0,0,0|1,0,1]=4 9447 B11R0.81 CC=CCC(=O)CCCCCC 1458a_100121576822_100000210757 [0,2,0,0,0,0|1,0,1]=4 9448 B11R0.81 CC=CCC(=O)CCCCCF 1458a_100121576822_100000729378 [0,2,0,0,0,0|1,0,1]=4 9449 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100102619762_100000070051 [0,2,0,0,0,0|1,0,1]=4 9450 B11R0.81 CC=CCC(=O)CCCCCO 1458a_100121576822_100000746330 [0,2,0,0,0,0|1,0,1]=4 9451 B11R0.81 CC=CCC(=O)CCCCOC 1458a_100121576822_100000755781 [0,2,0,0,0,0|1,0,1]=4 9452 B11R0.81 CC=CCC(=O)CCCOCC 1458a_100121576822_100012232248 [0,2,0,0,0,0|1,0,1]=4 9453 B11R0.81 CC=CCC(=O)CCOCCC 1458a_100121576822_100011215938 [0,2,0,0,0,0|1,0,1]=4 9454 B11R0.81 CC=CCC(=O)COCCCC 1458a_100000757543_100000070051 [0,2,0,0,0,0|1,0,1]=4 9455 B11R0.81 CC=CCC(=O)COCCCC 1458a_100121576822_100011995733 [0,2,0,0,0,0|1,0,1]=4 9456 B11R0.81 CC=CCC(=O)CSCCCC 1458a_100000191162_100000070051 [0,2,0,0,0,0|1,0,1]=4 9457 B11R0.81 CC=CCC(=O)NCCCCC 11a_100000209983_100121576822 [0,2,0,0,0,0|1,0,1]=4 9458 B11R0.81 CC=CCC(=O)NCCCCC 1626a_100000209983_100121576822 [0,2,0,0,0,0|1,0,1]=4 9459 B11R0.81 CC=CCC(=O)NCCCCC 240690a_100000209983_100121576822 [0,2,0,0,0,0|1,0,1]=4 9460 B11R0.81 CC=CCC(=O)NCCCCC 527a_100000209983_100121576822 [0,2,0,0,0,0|1,0,1]=4 9461 B11R0.81 CC=CCSCC(=O)OCCC 62a_100000070051_200011215008 [0,2,0,0,0,0|0,0,2]=4 9462 B11R0.81 CC=CCSCC(=O)OCCC 62a_200011215008_100000070051 [0,2,0,0,0,0|0,0,2]=4 9463 B11R0.81 CC=NNC(=O)CCCCCC 4a_100011221127_200000210099 [0,2,0,0,0,0|1,0,1]=4 9464 B11R0.81 CCC#CC(=O)CC/C=C\CC 1458a_100011827653_100015370543 [0,2,0,0,0,0|1,0,1]=4 9465 B11R0.81 CCC#CC(=O)CCCCC#N 1458a_100011827653_100000211819 [0,2,0,0,0,0|1,0,1]=4 9466 B11R0.81 CCC#CC(=O)CCCCCC 1458a_100011827653_100000210757 [0,2,0,0,0,0|1,0,0]=3 9467 B11R0.81 CCC#CC(=O)CCCCCF 1458a_100011827653_100000729378 [0,2,0,0,0,0|1,0,0]=3 9468 B11R0.81 CCC#CC(=O)CCCCCO 1458a_100011827653_100000746330 [0,2,0,0,0,0|1,0,0]=3 9469 B11R0.81 CCC#CC(=O)CCCCOC 1458a_100011827653_100000755781 [0,2,0,0,0,0|1,0,0]=3 9470 B11R0.81 CCC#CC(=O)CCCOCC 1458a_100011827653_100012232248 [0,2,0,0,0,0|1,0,0]=3 9471 B11R0.81 CCC#CC(=O)CCOCCC 1458a_100011827653_100011215938 [0,2,0,0,0,0|1,0,0]=3 9472 B11R0.81 CCC#CC(=O)CCOCCO 1458a_100011827653_100011215305 [0,2,0,0,0,0|2,0,0]=4 9473 B11R0.81 CCC#CC(=O)COCCCC 1458a_100011827653_100011995733 [0,2,0,0,0,0|1,0,0]=3 9474 B11R0.81 CCC#CC(=O)NNCCCC 22a_100025702795_100011827653 [0,2,0,0,0,0|2,0,0]=4 9475 B11R0.81 CCC/C=C/CC(=O)CCCC 1458a_200016266809_100000210211 [0,2,0,0,0,0|1,0,1]=4 9476 B11R0.81 CCC/C=C/CC(=O)CCCF 1458a_200016266809_100011934791 [0,2,0,0,0,0|1,0,1]=4 9477 B11R0.81 CCC/C=C/CC(=O)CCCO 1458a_200016266809_100011215043 [0,2,0,0,0,0|1,0,1]=4 9478 B11R0.81 CCC/C=C/CC(=O)CCOC 1458a_200016266809_100000233755 [0,2,0,0,0,0|1,0,1]=4 9479 B11R0.81 CCC/C=C/CC(=O)CCSC 1458a_200016266809_100000751147 [0,2,0,0,0,0|1,0,1]=4 9480 B11R0.81 CCC/C=C/CC(=O)NCCC 11a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 9481 B11R0.81 CCC/C=C/CC(=O)NCCC 1626a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 9482 B11R0.81 CCC/C=C/CC(=O)NCCC 240690a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 9483 B11R0.81 CCC/C=C/CC(=O)NCCC 527a_100020643023_200016266809 [0,2,0,0,0,0|1,0,1]=4 9484 B11R0.81 CCC/C=C/CC(=O)NCCF 11a_100000724931_200016266809 [0,2,0,0,0,0|1,0,1]=4 9485 B11R0.81 CCC/C=C/CC(=O)NCCF 1626a_100000724931_200016266809 [0,2,0,0,0,0|1,0,1]=4 9486 B11R0.81 CCC/C=C/CC(=O)NCCF 240690a_100000724931_200016266809 [0,2,0,0,0,0|1,0,1]=4 9487 B11R0.81 CCC/C=C/CC(=O)NCCF 527a_100000724931_200016266809 [0,2,0,0,0,0|1,0,1]=4 9488 B11R0.81 CCC/C=C/CC(=O)NCCO 240690a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 9489 B11R0.81 CCC/C=C/CC(=O)NCCO 527a_100000210304_200016266809 [0,2,0,0,0,0|1,0,1]=4 9490 B11R0.81 CCC/C=C/CC(=O)NNCC 22a_100000756455_200016266809 [0,2,0,0,0,0|1,0,1]=4 9491 B11R0.81 CCC=CC(=O)CC/C=C\CC 1458a_100000212282_100015370543 [0,2,0,0,0,0|1,0,1]=4 9492 B11R0.81 CCC=CC(=O)CCCCC#N 1458a_100000212282_100000211819 [0,2,0,0,0,0|1,0,1]=4 9493 B11R0.81 CCC=CC(=O)CCCCCC 1458a_100000212282_100000210757 [0,2,0,0,0,0|1,0,0]=3 9494 B11R0.81 CCC=CC(=O)CCCCCF 1458a_100000212282_100000729378 [0,2,0,0,0,0|1,0,0]=3 9495 B11R0.81 CCC=CC(=O)CCCCCO 1458a_100000212282_100000746330 [0,2,0,0,0,0|1,0,0]=3 9496 B11R0.81 CCC=CC(=O)CCCCOC 1458a_100000212282_100000755781 [0,2,0,0,0,0|1,0,0]=3 9497 B11R0.81 CCC=CC(=O)CCCOCC 1458a_100000212282_100012232248 [0,2,0,0,0,0|1,0,0]=3 9498 B11R0.81 CCC=CC(=O)CCOCCC 1458a_100000212282_100011215938 [0,2,0,0,0,0|1,0,0]=3 9499 B11R0.81 CCC=CC(=O)CCOCCO 1458a_100000212282_100011215305 [0,2,0,0,0,0|2,0,0]=4 9500 B11R0.81 CCC=CC(=O)COCCCC 1458a_100000212282_100011995733 [0,2,0,0,0,0|1,0,0]=3 9501 B11R0.81 CCC=CC(=O)NCCCCC 11a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 9502 B11R0.81 CCC=CC(=O)NCCCCC 1626a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 9503 B11R0.81 CCC=CC(=O)NCCCCC 240690a_100000209983_100000212282 [0,2,0,0,0,0|1,0,0]=3 9504 B11R0.81 CCC=CC(=O)NCCCCO 240690a_100000750430_100000212282 [0,2,0,0,0,0|2,0,0]=4 9505 B11R0.81 CCC=CC(=O)NCCCOC 1626a_100150723488_100000212282 [0,2,0,0,0,0|2,0,0]=4 9506 B11R0.81 CCC=CC(=O)NCCCOC 240690a_100150723488_100000212282 [0,2,0,0,0,0|2,0,0]=4 9507 B11R0.81 CCC=CC(=O)NCCCSC 11a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 9508 B11R0.81 CCC=CC(=O)NCCCSC 1626a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 9509 B11R0.81 CCC=CC(=O)NCCCSC 240690a_100000749238_100000212282 [0,2,0,0,0,0|2,0,0]=4 9510 B11R0.81 CCC=CC(=O)NCCOCC 11a_100011200944_100000212282 [0,2,0,0,0,0|2,0,0]=4 9511 B11R0.81 CCC=CC(=O)NCCOCC 1626a_102516460346_100000212282 [0,2,0,0,0,0|2,0,0]=4 9512 B11R0.81 CCC=CC(=O)NCCOCC 240690a_100011200944_100000212282 [0,2,0,0,0,0|2,0,0]=4 9513 B11R0.81 CCC=CC(=O)NCCSCC 11a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 9514 B11R0.81 CCC=CC(=O)NCCSCC 1626a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 9515 B11R0.81 CCC=CC(=O)NCCSCC 240690a_100000106463_100000212282 [0,2,0,0,0,0|2,0,0]=4 9516 B11R0.81 CCC=CC(=O)NNCCCC 22a_100025702795_100000212282 [0,2,0,0,0,0|2,0,0]=4 9517 B11R0.81 CCCC=NNC(=O)COCC 4a_100000216846_100000185831 [0,2,0,0,0,0|1,0,1]=4 9518 B11R0.81 CCCCC(=O)CCCCC#N 1458a_100000210183_100000211819 [0,2,0,0,0,0|1,0,1]=4 9519 B11R0.81 CCCCC(=O)CCCCCF 1458a_100000210183_100000729378 [0,2,0,0,0,0|1,0,0]=3 9520 B11R0.81 CCCCC(=O)CCCCCO 1458a_100000210183_100000746330 [0,2,0,0,0,0|1,0,0]=3 9521 B11R0.81 CCCCC(=O)CCCCCO 1458a_100102619762_100000210211 [0,2,0,0,0,0|1,0,0]=3 9522 B11R0.81 CCCCC(=O)CCCCOC 1458a_100000210183_100000755781 [0,2,0,0,0,0|1,0,0]=3 9523 B11R0.81 CCCCC(=O)CCCOCC 1458a_100000210183_100012232248 [0,2,0,0,0,0|1,0,0]=3 9524 B11R0.81 CCCCC(=O)CCOCCC 1458a_100000210183_100011215938 [0,2,0,0,0,0|1,0,0]=3 9525 B11R0.81 CCCCC(=O)CCOCCO 1458a_100000210183_100011215305 [0,2,0,0,0,0|2,0,0]=4 9526 B11R0.81 CCCCC(=O)CCOCCO 1458a_100011229844_100000210211 [0,2,0,0,0,0|2,0,0]=4 9527 B11R0.81 CCCCC(=O)COCCOC 1458a_100000211095_100000210211 [0,2,0,0,0,0|2,0,0]=4 9528 B11R0.81 CCCCC(=O)NCCCCO 240690a_100000750430_100000210183 [0,2,0,0,0,0|2,0,0]=4 9529 B11R0.81 CCCCC(=O)NCCCCO 527a_100000750430_100000210183 [0,2,0,0,0,0|2,0,0]=4 9530 B11R0.81 CCCCC(=O)NCCCOC 1626a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 9531 B11R0.81 CCCCC(=O)NCCCOC 240690a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 9532 B11R0.81 CCCCC(=O)NCCCOC 527a_100150723488_100000210183 [0,2,0,0,0,0|2,0,0]=4 9533 B11R0.81 CCCCC(=O)NCCCSC 11a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 9534 B11R0.81 CCCCC(=O)NCCCSC 1626a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 9535 B11R0.81 CCCCC(=O)NCCCSC 240690a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 9536 B11R0.81 CCCCC(=O)NCCCSC 527a_100000749238_100000210183 [0,2,0,0,0,0|2,0,0]=4 9537 B11R0.81 CCCCC(=O)NCCOCC 11a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 9538 B11R0.81 CCCCC(=O)NCCOCC 1626a_102516460346_100000210183 [0,2,0,0,0,0|2,0,0]=4 9539 B11R0.81 CCCCC(=O)NCCOCC 240690a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 9540 B11R0.81 CCCCC(=O)NCCOCC 527a_100011200944_100000210183 [0,2,0,0,0,0|2,0,0]=4 9541 B11R0.81 CCCCC(=O)NCCSCC 11a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 9542 B11R0.81 CCCCC(=O)NCCSCC 1626a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 9543 B11R0.81 CCCCC(=O)NCCSCC 240690a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 9544 B11R0.81 CCCCC(=O)NCCSCC 527a_100000106463_100000210183 [0,2,0,0,0,0|2,0,0]=4 9545 B11R0.81 CCCCC=CC(=O)CCCC 1458a_100016266645_100000210211 [0,2,0,0,0,0|1,0,1]=4 9546 B11R0.81 CCCCC=CC(=O)CCCF 1458a_100016266645_100011934791 [0,2,0,0,0,0|1,0,1]=4 9547 B11R0.81 CCCCC=CC(=O)CCCO 1458a_100016266645_100011215043 [0,2,0,0,0,0|1,0,1]=4 9548 B11R0.81 CCCCC=CC(=O)CCOC 1458a_100016266645_100000233755 [0,2,0,0,0,0|1,0,1]=4 9549 B11R0.81 CCCCC=CC(=O)CCSC 1458a_100016266645_100000751147 [0,2,0,0,0,0|1,0,1]=4 9550 B11R0.81 CCCCC=CC(=O)NCCC 11a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 9551 B11R0.81 CCCCC=CC(=O)NCCC 1626a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 9552 B11R0.81 CCCCC=CC(=O)NCCC 240690a_100020643023_100016266645 [0,2,0,0,0,0|1,0,1]=4 9553 B11R0.81 CCCCC=CC(=O)NCCF 11a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 9554 B11R0.81 CCCCC=CC(=O)NCCF 1626a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 9555 B11R0.81 CCCCC=CC(=O)NCCF 240690a_100000724931_100016266645 [0,2,0,0,0,0|1,0,1]=4 9556 B11R0.81 CCCCC=CC(=O)NCCO 240690a_100000210304_100016266645 [0,2,0,0,0,0|1,0,1]=4 9557 B11R0.81 CCCCC=CC(=O)NNCC 22a_100000756455_100016266645 [0,2,0,0,0,0|1,0,1]=4 9558 B11R0.81 CCCCCCC(=NNCC)C 4a_100000756455_100000210826 [0,2,0,0,0,0|2,0,0]=4 9559 B11R0.81 CCCCCCC(=O)C#CCO 1458a_100000049017_100000210757 [0,2,0,0,0,0|1,0,1]=4 9560 B11R0.81 CCCCCCC(=O)C=COC 1458a_100016268678_100000210757 [0,2,0,0,0,0|1,0,1]=4 9561 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100011934036_100000210757 [0,2,0,0,0,0|1,0,1]=4 9562 B11R0.81 CCCCCCC(=O)CCC#N 1458a_100102632555_100011215226 [0,2,0,0,0,0|1,0,1]=4 9563 B11R0.81 CCCCCCC(=O)CCCC 1458a_100000210183_100000210757 [0,2,0,0,0,0|1,0,0]=3 9564 B11R0.81 CCCCCCC(=O)CCCC 1458a_100102632555_100000210211 [0,2,0,0,0,0|1,0,0]=3 9565 B11R0.81 CCCCCCC(=O)CCCF 1458a_100102632555_100011934791 [0,2,0,0,0,0|1,0,0]=3 9566 B11R0.81 CCCCCCC(=O)CCCO 1458a_100102632555_100011215043 [0,2,0,0,0,0|1,0,0]=3 9567 B11R0.81 CCCCCCC(=O)CCOC 1458a_100000749529_100000210757 [0,2,0,0,0,0|1,0,0]=3 9568 B11R0.81 CCCCCCC(=O)CCOC 1458a_100102632555_100000233755 [0,2,0,0,0,0|1,0,0]=3 9569 B11R0.81 CCCCCCC(=O)CCSC 1458a_100000174002_100000210757 [0,2,0,0,0,0|1,0,0]=3 9570 B11R0.81 CCCCCCC(=O)CCSC 1458a_100102632555_100000751147 [0,2,0,0,0,0|1,0,0]=3 9571 B11R0.81 CCCCCCC(=O)COCC 1458a_100000211967_100000210757 [0,2,0,0,0,0|0,0,0]=2 9572 B11R0.81 CCCCCCC(=O)CSCC 1458a_100000230394_100000210757 [0,2,0,0,0,0|0,1,0]=3 9573 B11R0.81 CCCCCCC(=O)NCC#N 1626a_100000734998_100102632555 [0,2,0,0,0,0|1,0,1]=4 9574 B11R0.81 CCCCCCC(=O)NCC#N 527a_100000734998_100102632555 [0,2,0,0,0,0|1,0,1]=4 9575 B11R0.81 CCCCCCC(=O)NCCC 11a_100020643023_100102632555 [0,2,0,0,0,0|1,0,0]=3 9576 B11R0.81 CCCCCCC(=O)NCCC 1626a_100020643023_100102632555 [0,2,0,0,0,0|1,0,0]=3 9577 B11R0.81 CCCCCCC(=O)NCCC 240690a_100020643023_100102632555 [0,2,0,0,0,0|1,0,0]=3 9578 B11R0.81 CCCCCCC(=O)NCCC 527a_100020643023_100102632555 [0,2,0,0,0,0|1,0,0]=3 9579 B11R0.81 CCCCCCC(=O)NCCF 11a_100000724931_100102632555 [0,2,0,0,0,0|1,0,0]=3 9580 B11R0.81 CCCCCCC(=O)NCCF 1626a_100000724931_100102632555 [0,2,0,0,0,0|1,0,0]=3 9581 B11R0.81 CCCCCCC(=O)NCCF 240690a_100000724931_100102632555 [0,2,0,0,0,0|1,0,0]=3 9582 B11R0.81 CCCCCCC(=O)NCCF 527a_100000724931_100102632555 [0,2,0,0,0,0|1,0,0]=3 9583 B11R0.81 CCCCCCC(=O)NCCO 240690a_100000210304_100102632555 [0,2,0,0,0,0|1,0,0]=3 9584 B11R0.81 CCCCCCC(=O)NCCO 527a_100000210304_100102632555 [0,2,0,0,0,0|1,0,0]=3 9585 B11R0.81 CCCCCCC(=O)NNCC 22a_100000756455_100102632555 [0,2,0,0,0,0|1,0,0]=3 9586 B11R0.81 CCCCCCC(C)OCCBr 34a_100000211926_100011215978 [0,2,0,0,0,0|1,0,1]=4 9587 B11R0.81 CCCCCCC(C)OCCC 34a_100000210258_100011215978 [0,2,0,0,0,0|1,0,1]=4 9588 B11R0.81 CCCCCCC(C)OCCC 34a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 9589 B11R0.81 CCCCCCC(C)OCCC 7a_100000210265_100000210303 [0,2,0,0,0,0|1,0,1]=4 9590 B11R0.81 CCCCCCC(C)OCCF 34a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 9591 B11R0.81 CCCCCCC(C)OCCF 7a_100000210265_100011217306 [0,2,0,0,0,0|1,0,1]=4 9592 B11R0.81 CCCCCCC(C)OCCN 34a_100000210304_100011215978 [0,2,0,0,0,0|1,0,1]=4 9593 B11R0.81 CCCCCCC(C)OCCO 34a_100000210265_100000211926 [0,2,0,0,0,0|1,0,1]=4 9594 B11R0.81 CCCCCCC(C)OCCO 7a_100000210265_100000211926 [0,2,0,0,0,0|1,0,1]=4 9595 B11R0.81 CCCCCCC(C)OCSC 34a_100000210265_100011218213 [0,2,0,0,0,0|1,0,1]=4 9596 B11R0.81 CCCCCCN(C)COCC 269982a_106256046315_100000739092 [0,2,0,0,0,0|2,0,0]=4 9597 B11R0.81 CCCCCNC(=O)C=COC 1626a_100000209983_100016268678 [0,2,0,0,0,0|1,0,1]=4 9598 B11R0.81 CCCCCNC(=O)C=COC 240690a_100000209983_100016268678 [0,2,0,0,0,0|1,0,1]=4 9599 B11R0.81 CCCCCNC(=O)CCC#N 11a_100000209983_100011934036 [0,2,0,0,0,0|1,0,1]=4 9600 B11R0.81 CCCCCNC(=O)CCC#N 1626a_100000209983_100011934036 [0,2,0,0,0,0|1,0,1]=4 9601 B11R0.81 CCCCCNC(=O)CCC#N 240690a_100000209983_100011934036 [0,2,0,0,0,0|1,0,1]=4 9602 B11R0.81 CCCCCNC(=O)CCC#N 527a_100000209983_100011934036 [0,2,0,0,0,0|1,0,1]=4 9603 B11R0.81 CCCCCNC(=O)CCCC 11a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 9604 B11R0.81 CCCCCNC(=O)CCCC 1626a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 9605 B11R0.81 CCCCCNC(=O)CCCC 240690a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 9606 B11R0.81 CCCCCNC(=O)CCCC 527a_100000209983_100000210183 [0,2,0,0,0,0|1,0,0]=3 9607 B11R0.81 CCCCCNC(=O)CCOC 11a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 9608 B11R0.81 CCCCCNC(=O)CCOC 1626a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 9609 B11R0.81 CCCCCNC(=O)CCOC 240690a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 9610 B11R0.81 CCCCCNC(=O)CCOC 527a_100000209983_100000749529 [0,2,0,0,0,0|1,0,0]=3 9611 B11R0.81 CCCCCNC(=O)CCSC 11a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 9612 B11R0.81 CCCCCNC(=O)CCSC 1626a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 9613 B11R0.81 CCCCCNC(=O)CCSC 240690a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 9614 B11R0.81 CCCCCNC(=O)CCSC 527a_100000209983_100000174002 [0,2,0,0,0,0|1,0,0]=3 9615 B11R0.81 CCCCCNC(=O)CNCC 2230a_100015525214_100000230301 [0,2,0,0,0,0|1,0,0]=3 9616 B11R0.81 CCCCCNC(=O)COCC 11a_100000209983_100000211967 [0,2,0,0,0,0|0,0,0]=2 9617 B11R0.81 CCCCCNC(=O)COCC 1626a_100000209983_100000211967 [0,2,0,0,0,0|0,0,0]=2 9618 B11R0.81 CCCCCNC(=O)COCC 240690a_100000209983_100000211967 [0,2,0,0,0,0|0,0,0]=2 9619 B11R0.81 CCCCCNC(=O)COCC 34a_100121572206_100000230301 [0,2,0,0,0,0|0,0,0]=2 9620 B11R0.81 CCCCCNC(=O)COCC 527a_100000209983_100000211967 [0,2,0,0,0,0|0,0,0]=2 9621 B11R0.81 CCCCCNC(=O)CSCC 11a_100000209983_100000230394 [0,2,0,0,0,0|0,1,0]=3 9622 B11R0.81 CCCCCNC(=O)CSCC 1626a_100000209983_100000230394 [0,2,0,0,0,0|0,1,0]=3 9623 B11R0.81 CCCCCNC(=O)CSCC 240690a_100000209983_100000230394 [0,2,0,0,0,0|0,1,0]=3 9624 B11R0.81 CCCCCNC(=O)CSCC 527a_100000209983_100000230394 [0,2,0,0,0,0|0,1,0]=3 9625 B11R0.81 CCCCCNC(=O)CSCC 62a_100000210202_100000230301 [0,2,0,0,0,0|0,1,0]=3 9626 B11R0.81 CCCCCNC(=O)CSCC 62a_100000230301_100000210202 [0,2,0,0,0,0|0,1,0]=3 9627 B11R0.81 CCCCCNC(=O)CSCF 62a_100000230301_100015361967 [0,2,0,0,0,0|1,1,0]=4 9628 B11R0.81 CCCCCNC(=O)CSCF 62a_100015361967_100000230301 [0,2,0,0,0,0|1,1,0]=4 9629 B11R0.81 CCCCCNC(=O)NCC#N 2708a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 9630 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000209983_100000734998 [0,2,0,0,0,0|1,0,1]=4 9631 B11R0.81 CCCCCNC(=O)NCC#N 273464a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 9632 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000209983_100000734998 [0,2,0,0,0,0|1,0,1]=4 9633 B11R0.81 CCCCCNC(=O)NCC#N 512a_100000734998_100000209983 [0,2,0,0,0,0|1,0,1]=4 9634 B11R0.81 CCCCCNC(=O)NCCC 2708a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 9635 B11R0.81 CCCCCNC(=O)NCCC 2708a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 9636 B11R0.81 CCCCCNC(=O)NCCC 273464a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 9637 B11R0.81 CCCCCNC(=O)NCCC 273464a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 9638 B11R0.81 CCCCCNC(=O)NCCC 512a_100000209983_100020643023 [0,2,0,0,0,0|1,0,0]=3 9639 B11R0.81 CCCCCNC(=O)NCCC 512a_100020643023_100000209983 [0,2,0,0,0,0|1,0,0]=3 9640 B11R0.81 CCCCCNC(=O)NCCF 2708a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 9641 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 9642 B11R0.81 CCCCCNC(=O)NCCF 273464a_100000724931_100000209983 [0,2,0,0,0,0|1,0,0]=3 9643 B11R0.81 CCCCCNC(=O)NCCF 512a_100000209983_100000724931 [0,2,0,0,0,0|1,0,0]=3 9644 B11R0.81 CCCCCNC(=O)NCCO 2708a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 9645 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 9646 B11R0.81 CCCCCNC(=O)NCCO 273464a_100000210304_100000209983 [0,2,0,0,0,0|1,0,0]=3 9647 B11R0.81 CCCCCNC(=O)NCCO 512a_100000209983_100000210304 [0,2,0,0,0,0|1,0,0]=3 9648 B11R0.81 CCCCCNC(=O)NNCC 273464a_100000209983_100000756455 [0,2,0,0,0,0|1,0,0]=3 9649 B11R0.81 CCCCCNC(=O)NNCC 512a_100000209983_100000756455 [0,2,0,0,0,0|1,0,0]=3 9650 B11R0.81 CCCCCNC(=O)NNCC 512a_100000756455_100000209983 [0,2,0,0,0,0|1,0,0]=3 9651 B11R0.81 CCCCCOC(C)COCC 34a_100000718985_100000718602 [0,2,0,0,0,0|1,0,1]=4 9652 B11R0.81 CCCCCOC(C)COCC 7a_100000718985_100000210326 [0,2,0,0,0,0|1,0,1]=4 9653 B11R0.81 CCCCNCC(=O)NCC#N 2230a_100000102301_100000736037 [0,2,0,0,0,0|1,0,1]=4 9654 B11R0.81 CCCCNCC(=O)NCC#N 7a_106832991798_100000736037 [0,2,0,0,0,0|1,0,1]=4 9655 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000102301_100000183358 [0,2,0,0,0,0|1,0,0]=3 9656 B11R0.81 CCCCNCC(=O)NCCC 2230a_100000174927_100000210211 [0,2,0,0,0,0|1,0,0]=3 9657 B11R0.81 CCCCNCC(=O)NCCC 7a_106832991798_100000183358 [0,2,0,0,0,0|1,0,0]=3 9658 B11R0.81 CCCCNCC(=O)NCCF 2230a_100000725713_100000210211 [0,2,0,0,0,0|1,0,0]=3 9659 B11R0.81 CCCCNCC(=O)OCCC 2230a_100000102301_200011215008 [0,2,0,0,0,0|0,0,0]=2 9660 B11R0.81 CCCCNCC(=O)OCCC 7a_106832991798_200011215008 [0,2,0,0,0,0|0,0,0]=2 9661 B11R0.81 CCCCNCC(C)OCCC 2230a_100015185124_100000210211 [0,2,0,0,0,0|1,0,1]=4 9662 B11R0.81 CCCCNCC(C)OCCC 34a_100015185124_100000210210 [0,2,0,0,0,0|1,0,1]=4 9663 B11R0.81 CCCCNCC(O)COCC 2230a_102515437182_100000210211 [0,2,0,0,0,0|0,0,2]=4 9664 B11R0.81 CCCCNCC(O)COCC 34a_102515437182_100000210210 [0,2,0,0,0,0|0,0,2]=4 9665 B11R0.81 CCCCNNC(=O)CCCC 22a_100025702795_100000210183 [0,2,0,0,0,0|2,0,0]=4 9666 B11R0.81 CCCCNNC(=O)CCOC 22a_100025702795_100000749529 [0,2,0,0,0,0|2,0,0]=4 9667 B11R0.81 CCCCNNC(=O)CCSC 22a_100025702795_100000174002 [0,2,0,0,0,0|2,0,0]=4 9668 B11R0.81 CCCCNNC(=O)COCC 22a_100025702795_100000211967 [0,2,0,0,0,0|1,0,0]=3 9669 B11R0.81 CCCCNNC(=O)CSCC 22a_100025702795_100000230394 [0,2,0,0,0,0|1,1,0]=4 9670 B11R0.81 CCCCNNC(=O)NCCC 273464a_100020643023_100025702795 [0,2,0,0,0,0|2,0,0]=4 9671 B11R0.81 CCCCNNC(=O)NCCC 512a_100020643023_100025702795 [0,2,0,0,0,0|2,0,0]=4 9672 B11R0.81 CCCCNNC(=O)NCCC 512a_100025702795_100020643023 [0,2,0,0,0,0|2,0,0]=4 9673 B11R0.81 CCCCNNC(=O)NCCF 273464a_100000724931_100025702795 [0,2,0,0,0,0|2,0,0]=4 9674 B11R0.81 CCCCNNC(=O)NCCF 512a_100025702795_100000724931 [0,2,0,0,0,0|2,0,0]=4 9675 B11R0.81 CCCCNNC(=O)NCCO 273464a_100000210304_100025702795 [0,2,0,0,0,0|2,0,0]=4 9676 B11R0.81 CCCCNNC(=O)NCCO 512a_100025702795_100000210304 [0,2,0,0,0,0|2,0,0]=4 9677 B11R0.81 CCCCNNC(=O)NNCC 512a_100000756455_100025702795 [0,2,0,0,0,0|2,0,0]=4 9678 B11R0.81 CCCCNNC(=O)NNCC 512a_100025702795_100000756455 [0,2,0,0,0,0|2,0,0]=4 9679 B11R0.81 CCCCOCC(=O)C#CCO 1458a_100000049017_100011995733 [0,2,0,0,0,0|1,0,1]=4 9680 B11R0.81 CCCCOCC(=O)C=COC 1458a_100016268678_100011995733 [0,2,0,0,0,0|1,0,1]=4 9681 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100000757543_100011215226 [0,2,0,0,0,0|1,0,1]=4 9682 B11R0.81 CCCCOCC(=O)CCC#N 1458a_100011934036_100011995733 [0,2,0,0,0,0|1,0,1]=4 9683 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000210183_100011995733 [0,2,0,0,0,0|1,0,0]=3 9684 B11R0.81 CCCCOCC(=O)CCCC 1458a_100000757543_100000210211 [0,2,0,0,0,0|1,0,0]=3 9685 B11R0.81 CCCCOCC(=O)CCCF 1458a_100000757543_100011934791 [0,2,0,0,0,0|1,0,0]=3 9686 B11R0.81 CCCCOCC(=O)CCCO 1458a_100000757543_100011215043 [0,2,0,0,0,0|1,0,0]=3 9687 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000749529_100011995733 [0,2,0,0,0,0|1,0,0]=3 9688 B11R0.81 CCCCOCC(=O)CCOC 1458a_100000757543_100000233755 [0,2,0,0,0,0|1,0,0]=3 9689 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000174002_100011995733 [0,2,0,0,0,0|1,0,0]=3 9690 B11R0.81 CCCCOCC(=O)CCSC 1458a_100000757543_100000751147 [0,2,0,0,0,0|1,0,0]=3 9691 B11R0.81 CCCCOCC(=O)COCC 1458a_100000211967_100011995733 [0,2,0,0,0,0|0,0,0]=2 9692 B11R0.81 CCCCOCC(=O)CSCC 1458a_100000230394_100011995733 [0,2,0,0,0,0|0,1,0]=3 9693 B11R0.81 CCCCOCC(=O)NCC#N 1626a_100000734998_100000757543 [0,2,0,0,0,0|1,0,1]=4 9694 B11R0.81 CCCCOCC(=O)NCC#N 527a_100000734998_100000757543 [0,2,0,0,0,0|1,0,1]=4 9695 B11R0.81 CCCCOCC(=O)NCC#N 7a_100000210227_100000736037 [0,2,0,0,0,0|1,0,1]=4 9696 B11R0.81 CCCCOCC(=O)NCCC 11a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 9697 B11R0.81 CCCCOCC(=O)NCCC 1626a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 9698 B11R0.81 CCCCOCC(=O)NCCC 240690a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 9699 B11R0.81 CCCCOCC(=O)NCCC 34a_100000210227_100000183358 [0,2,0,0,0,0|1,0,0]=3 9700 B11R0.81 CCCCOCC(=O)NCCC 527a_100020643023_100000757543 [0,2,0,0,0,0|1,0,0]=3 9701 B11R0.81 CCCCOCC(=O)NCCC 7a_100000210227_100000183358 [0,2,0,0,0,0|1,0,0]=3 9702 B11R0.81 CCCCOCC(=O)NCCF 11a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 9703 B11R0.81 CCCCOCC(=O)NCCF 1626a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 9704 B11R0.81 CCCCOCC(=O)NCCF 240690a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 9705 B11R0.81 CCCCOCC(=O)NCCF 527a_100000724931_100000757543 [0,2,0,0,0,0|1,0,0]=3 9706 B11R0.81 CCCCOCC(=O)NCCO 240690a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 9707 B11R0.81 CCCCOCC(=O)NCCO 527a_100000210304_100000757543 [0,2,0,0,0,0|1,0,0]=3 9708 B11R0.81 CCCCOCC(=O)NNCC 22a_100000756455_100000757543 [0,2,0,0,0,0|1,0,0]=3 9709 B11R0.81 CCCCOCC(=O)OCCC 34a_100000210227_200011215008 [0,2,0,0,0,0|0,0,0]=2 9710 B11R0.81 CCCCOCC(=O)OCCC 7a_100000210227_200011215008 [0,2,0,0,0,0|0,0,0]=2 9711 B11R0.81 CCCCOCC(C)OCCC 34a_100011217071_100000210303 [0,2,0,0,0,0|1,0,1]=4 9712 B11R0.81 CCCCOCC(C)OCCC 7a_100011217071_100000210303 [0,2,0,0,0,0|1,0,1]=4 9713 B11R0.81 CCCCOCC(C)OCCF 34a_100011217071_100011217306 [0,2,0,0,0,0|1,0,1]=4 9714 B11R0.81 CCCCOCC(C)OCCF 7a_100011217071_100011217306 [0,2,0,0,0,0|1,0,1]=4 9715 B11R0.81 CCCCOCC(C)OCCO 34a_100011217071_100000211926 [0,2,0,0,0,0|1,0,1]=4 9716 B11R0.81 CCCCOCC(C)OCCO 7a_100011217071_100000211926 [0,2,0,0,0,0|1,0,1]=4 9717 B11R0.81 CCCCOCC(C)OCSC 34a_100011217071_100011218213 [0,2,0,0,0,0|1,0,1]=4 9718 B11R0.81 CCCCOC[C@@H](C)OCOC 34a_100016172286_100000210210 [0,2,0,0,0,0|1,0,1]=4 9719 B11R0.81 CCCCOC[C@@H](C)OCOC 7a_100016172286_100000210211 [0,2,0,0,0,0|1,0,1]=4 9720 B11R0.81 CCCCSCC(=O)CCC#N 1458a_100000191162_100011215226 [0,2,0,0,0,0|1,0,1]=4 9721 B11R0.81 CCCCSCC(=O)CCCC 1458a_100000191162_100000210211 [0,2,0,0,0,0|1,0,0]=3 9722 B11R0.81 CCCCSCC(=O)CCCF 1458a_100000191162_100011934791 [0,2,0,0,0,0|1,0,0]=3 9723 B11R0.81 CCCCSCC(=O)CCCO 1458a_100000191162_100011215043 [0,2,0,0,0,0|1,0,0]=3 9724 B11R0.81 CCCCSCC(=O)CCOC 1458a_100000191162_100000233755 [0,2,0,0,0,0|1,0,0]=3 9725 B11R0.81 CCCCSCC(=O)CCSC 1458a_100000191162_100000751147 [0,2,0,0,0,0|1,0,0]=3 9726 B11R0.81 CCCCSCC(=O)NCC#N 1626a_100000734998_100000191162 [0,2,0,0,0,0|1,0,1]=4 9727 B11R0.81 CCCCSCC(=O)NCC#N 527a_100000734998_100000191162 [0,2,0,0,0,0|1,0,1]=4 9728 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000210211_100000736037 [0,2,0,0,0,0|1,0,1]=4 9729 B11R0.81 CCCCSCC(=O)NCC#N 62a_100000736037_100000210210 [0,2,0,0,0,0|1,0,1]=4 9730 B11R0.81 CCCCSCC(=O)NCCC 11a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 9731 B11R0.81 CCCCSCC(=O)NCCC 1626a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 9732 B11R0.81 CCCCSCC(=O)NCCC 240690a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 9733 B11R0.81 CCCCSCC(=O)NCCC 527a_100020643023_100000191162 [0,2,0,0,0,0|1,0,0]=3 9734 B11R0.81 CCCCSCC(=O)NCCC 62a_100000183358_100000210210 [0,2,0,0,0,0|1,0,0]=3 9735 B11R0.81 CCCCSCC(=O)NCCC 62a_100000210211_100000183358 [0,2,0,0,0,0|1,0,0]=3 9736 B11R0.81 CCCCSCC(=O)NCCF 11a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 9737 B11R0.81 CCCCSCC(=O)NCCF 1626a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 9738 B11R0.81 CCCCSCC(=O)NCCF 240690a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 9739 B11R0.81 CCCCSCC(=O)NCCF 527a_100000724931_100000191162 [0,2,0,0,0,0|1,0,0]=3 9740 B11R0.81 CCCCSCC(=O)NCCO 240690a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 9741 B11R0.81 CCCCSCC(=O)NCCO 527a_100000210304_100000191162 [0,2,0,0,0,0|1,0,0]=3 9742 B11R0.81 CCCCSCC(=O)NNCC 22a_100000756455_100000191162 [0,2,0,0,0,0|1,0,0]=3 9743 B11R0.81 CCCCSCC(=O)OCCC 62a_100000210211_200011215008 [0,2,0,0,0,0|0,0,0]=2 9744 B11R0.81 CCCCSCC(=O)OCCC 62a_200011215008_100000210210 [0,2,0,0,0,0|0,0,0]=2 9745 B11R0.81 CCCNC(=O)CCCCCO 240690a_100020643023_100102619762 [0,2,0,0,0,0|1,0,0]=3 9746 B11R0.81 CCCNC(=O)CCCNCC 2230a_100015525214_100011194427 [0,2,0,0,0,0|1,0,0]=3 9747 B11R0.81 CCCNC(=O)CCCSCC 62a_100000210202_100011194427 [0,2,0,0,0,0|1,0,0]=3 9748 B11R0.81 CCCNC(=O)CCCSCC 62a_100011194427_100000210202 [0,2,0,0,0,0|1,0,0]=3 9749 B11R0.81 CCCNC(=O)CCCSCF 62a_100011194427_100015361967 [0,2,0,0,0,0|2,0,0]=4 9750 B11R0.81 CCCNC(=O)CCCSCF 62a_100015361967_100011194427 [0,2,0,0,0,0|2,0,0]=4 9751 B11R0.81 CCCNC(=O)CCOCCO 1626a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 9752 B11R0.81 CCCNC(=O)CCOCCO 240690a_100020643023_100011229844 [0,2,0,0,0,0|2,0,0]=4 9753 B11R0.81 CCCNC(=O)CNCCCF 2230a_100000174927_100011934791 [0,2,0,0,0,0|2,0,0]=4 9754 B11R0.81 CCCNC(=O)CNCCCF 2230a_100015189416_100000183358 [0,2,0,0,0,0|2,0,0]=4 9755 B11R0.81 CCCNC(=O)CNCCCF 34a_100015189416_100000183358 [0,2,0,0,0,0|2,0,0]=4 9756 B11R0.81 CCCNC(=O)CNCCCO 2230a_100000174927_100000230001 [0,2,0,0,0,0|2,0,0]=4 9757 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000174927_100011201679 [0,2,0,0,0,0|2,0,0]=4 9758 B11R0.81 CCCNC(=O)CNCCOC 2230a_100000209980_100000183358 [0,2,0,0,0,0|2,0,0]=4 9759 B11R0.81 CCCNC(=O)CNCCSC 2230a_100000174927_100000751147 [0,2,0,0,0,0|2,0,0]=4 9760 B11R0.81 CCCNC(=O)CNCCSC 2230a_100020590264_100000183358 [0,2,0,0,0,0|2,0,0]=4 9761 B11R0.81 CCCNC(=O)COCCCBr 34a_100011217188_100000183358 [0,2,0,0,0,0|2,0,0]=4 9762 B11R0.81 CCCNC(=O)COCCCCl 34a_100000230001_100000183358 [0,2,0,0,0,0|2,0,0]=4 9763 B11R0.81 CCCNC(=O)COCCCF 34a_100000759539_100000183358 [0,2,0,0,0,0|2,0,0]=4 9764 B11R0.81 CCCNC(=O)COCCCN 34a_100000182051_100000183358 [0,2,0,0,0,0|2,0,0]=4 9765 B11R0.81 CCCNC(=O)COCCOC 11a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 9766 B11R0.81 CCCNC(=O)COCCOC 1626a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 9767 B11R0.81 CCCNC(=O)COCCOC 240690a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 9768 B11R0.81 CCCNC(=O)COCCOC 34a_100000210237_100000183358 [0,2,0,0,0,0|2,0,0]=4 9769 B11R0.81 CCCNC(=O)COCCOC 527a_100020643023_100000211095 [0,2,0,0,0,0|2,0,0]=4 9770 B11R0.81 CCCNC(=O)COCCSC 34a_100000230434_100000183358 [0,2,0,0,0,0|2,0,0]=4 9771 B11R0.81 CCCNC(=O)COCCSC 7a_100000230434_100000183358 [0,2,0,0,0,0|2,0,0]=4 9772 B11R0.81 CCCNC(=O)CSCCCF 62a_100000183358_100011934791 [0,2,0,0,0,0|2,0,0]=4 9773 B11R0.81 CCCNC(=O)CSCCCF 62a_100011934791_100000183358 [0,2,0,0,0,0|2,0,0]=4 9774 B11R0.81 CCCNC(=O)CSCCCO 62a_100000183358_100011215043 [0,2,0,0,0,0|2,0,0]=4 9775 B11R0.81 CCCNC(=O)CSCCCO 62a_100011215043_100000183358 [0,2,0,0,0,0|2,0,0]=4 9776 B11R0.81 CCCNC(=O)CSCCOC 62a_100000183358_100000233755 [0,2,0,0,0,0|2,0,0]=4 9777 B11R0.81 CCCNC(=O)CSCCOC 62a_100000233755_100000183358 [0,2,0,0,0,0|2,0,0]=4 9778 B11R0.81 CCCNC(=O)CSCCSC 62a_100000183358_100000751147 [0,2,0,0,0,0|2,0,0]=4 9779 B11R0.81 CCCNC(=O)CSCCSC 62a_100000212216_100000183358 [0,2,0,0,0,0|2,0,0]=4 9780 B11R0.81 CCCNC(=O)CSCOCC 62a_100000183358_100000739092 [0,2,0,0,0,0|2,0,0]=4 9781 B11R0.81 CCCNC(=O)CSCOCC 62a_100000739092_100000183358 [0,2,0,0,0,0|2,0,0]=4 9782 B11R0.81 CCCNC(=O)NCCCCO 2708a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 9783 B11R0.81 CCCNC(=O)NCCCCO 2708a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 9784 B11R0.81 CCCNC(=O)NCCCCO 273464a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 9785 B11R0.81 CCCNC(=O)NCCCCO 273464a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 9786 B11R0.81 CCCNC(=O)NCCCCO 512a_100000750430_100020643023 [0,2,0,0,0,0|2,0,0]=4 9787 B11R0.81 CCCNC(=O)NCCCCO 512a_100020643023_100000750430 [0,2,0,0,0,0|2,0,0]=4 9788 B11R0.81 CCCNC(=O)NCCCOC 2708a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 9789 B11R0.81 CCCNC(=O)NCCCOC 2708a_100150723488_100020643023 [0,2,0,0,0,0|2,0,0]=4 9790 B11R0.81 CCCNC(=O)NCCCOC 273464a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 9791 B11R0.81 CCCNC(=O)NCCCOC 273464a_100150723488_100020643023 [0,2,0,0,0,0|2,0,0]=4 9792 B11R0.81 CCCNC(=O)NCCCOC 512a_100020643023_100150723488 [0,2,0,0,0,0|2,0,0]=4 9793 B11R0.81 CCCNC(=O)NCCCSC 2708a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 9794 B11R0.81 CCCNC(=O)NCCCSC 2708a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 9795 B11R0.81 CCCNC(=O)NCCCSC 273464a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 9796 B11R0.81 CCCNC(=O)NCCCSC 273464a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 9797 B11R0.81 CCCNC(=O)NCCCSC 512a_100000749238_100020643023 [0,2,0,0,0,0|2,0,0]=4 9798 B11R0.81 CCCNC(=O)NCCCSC 512a_100020643023_100000749238 [0,2,0,0,0,0|2,0,0]=4 9799 B11R0.81 CCCNC(=O)NCCOCC 2708a_100011200944_100020643023 [0,2,0,0,0,0|2,0,0]=4 9800 B11R0.81 CCCNC(=O)NCCOCC 2708a_100020643023_100011200944 [0,2,0,0,0,0|2,0,0]=4 9801 B11R0.81 CCCNC(=O)NCCOCC 273464a_100020643023_102516460346 [0,2,0,0,0,0|2,0,0]=4 9802 B11R0.81 CCCNC(=O)NCCOCC 273464a_102516460346_100020643023 [0,2,0,0,0,0|2,0,0]=4 9803 B11R0.81 CCCNC(=O)NCCOCC 512a_100011200944_100020643023 [0,2,0,0,0,0|2,0,0]=4 9804 B11R0.81 CCCNC(=O)NCCOCC 512a_100020643023_100011200944 [0,2,0,0,0,0|2,0,0]=4 9805 B11R0.81 CCCNC(=O)NCCSCC 2708a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 9806 B11R0.81 CCCNC(=O)NCCSCC 2708a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 9807 B11R0.81 CCCNC(=O)NCCSCC 273464a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 9808 B11R0.81 CCCNC(=O)NCCSCC 273464a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 9809 B11R0.81 CCCNC(=O)NCCSCC 512a_100000106463_100020643023 [0,2,0,0,0,0|2,0,0]=4 9810 B11R0.81 CCCNC(=O)NCCSCC 512a_100020643023_100000106463 [0,2,0,0,0,0|2,0,0]=4 9811 B11R0.81 CCCOC(=O)CNCCCF 2230a_100015189416_200011215008 [0,2,0,0,0,0|1,0,0]=3 9812 B11R0.81 CCCOC(=O)CNCCCF 34a_100015189416_200011215008 [0,2,0,0,0,0|1,0,0]=3 9813 B11R0.81 CCCOC(=O)CNCCOC 2230a_100000209980_200011215008 [0,2,0,0,0,0|1,0,0]=3 9814 B11R0.81 CCCOC(=O)CNCCSC 2230a_100020590264_200011215008 [0,2,0,0,0,0|1,0,0]=3 9815 B11R0.81 CCCOC(=O)COCCCBr 34a_100011217188_200011215008 [0,2,0,0,0,0|1,0,0]=3 9816 B11R0.81 CCCOC(=O)COCCCCl 34a_100000230001_200011215008 [0,2,0,0,0,0|1,0,0]=3 9817 B11R0.81 CCCOC(=O)COCCCF 34a_100000759539_200011215008 [0,2,0,0,0,0|1,0,0]=3 9818 B11R0.81 CCCOC(=O)COCCCN 34a_100000182051_200011215008 [0,2,0,0,0,0|1,0,0]=3 9819 B11R0.81 CCCOC(=O)COCCOC 34a_100000210237_200011215008 [0,2,0,0,0,0|1,0,0]=3 9820 B11R0.81 CCCOC(=O)COCCON 34a_100000700252_200011215008 [0,2,0,0,0,0|2,0,0]=4 9821 B11R0.81 CCCOC(=O)COCCSC 34a_100000230434_200011215008 [0,2,0,0,0,0|1,0,0]=3 9822 B11R0.81 CCCOC(=O)COCCSC 7a_100000230434_200011215008 [0,2,0,0,0,0|1,0,0]=3 9823 B11R0.81 CCCOC(=O)CSCCC#N 62a_100011215226_200011215008 [0,2,0,0,0,0|1,0,1]=4 9824 B11R0.81 CCCOC(=O)CSCCC#N 62a_200011215008_100011215226 [0,2,0,0,0,0|1,0,1]=4 9825 B11R0.81 CCCOC(=O)CSCCCF 62a_100011934791_200011215008 [0,2,0,0,0,0|1,0,0]=3 9826 B11R0.81 CCCOC(=O)CSCCCF 62a_200011215008_100011934791 [0,2,0,0,0,0|1,0,0]=3 9827 B11R0.81 CCCOC(=O)CSCCCO 62a_100011215043_200011215008 [0,2,0,0,0,0|1,0,0]=3 9828 B11R0.81 CCCOC(=O)CSCCCO 62a_200011215008_100011215043 [0,2,0,0,0,0|1,0,0]=3 9829 B11R0.81 CCCOC(=O)CSCCOC 62a_100000233755_200011215008 [0,2,0,0,0,0|1,0,0]=3 9830 B11R0.81 CCCOC(=O)CSCCOC 62a_200011215008_100000233755 [0,2,0,0,0,0|1,0,0]=3 9831 B11R0.81 CCCOC(=O)CSCCSC 62a_100000212216_200011215008 [0,2,0,0,0,0|1,0,0]=3 9832 B11R0.81 CCCOC(=O)CSCCSC 62a_200011215008_100000751147 [0,2,0,0,0,0|1,0,0]=3 9833 B11R0.81 CCCOC(=O)CSCOCC 62a_100000739092_200011215008 [0,2,0,0,0,0|1,0,0]=3 9834 B11R0.81 CCCOC(=O)CSCOCC 62a_200011215008_100000739092 [0,2,0,0,0,0|1,0,0]=3 9835 B11R0.81 CCCOC(=O)OCNCCF 34a_100000724931_200000139673 [0,2,0,0,0,0|2,0,0]=4 9836 B11R0.81 CCCOC(=O)OCNCCO 34a_100016990907_200000139673 [0,2,0,0,0,0|2,0,0]=4 9837 B11R0.81 CCCOC(=O)OCOCCBr 34a_100000211926_200000139673 [0,2,0,0,0,0|2,0,0]=4 9838 B11R0.81 CCCOC(=O)OCOCCN 34a_100000210304_200000139673 [0,2,0,0,0,0|2,0,0]=4 9839 B11R0.81 CCCOC(=O)OCSCCC 62a_100000210303_200000139673 [0,2,0,0,0,0|1,0,0]=3 9840 B11R0.81 CCCOC(=O)OCSCCF 62a_100011217306_200000139673 [0,2,0,0,0,0|2,0,0]=4 9841 B11R0.81 CCCOC(=O)OCSCCO 62a_100000211926_200000139673 [0,2,0,0,0,0|2,0,0]=4 9842 B11R0.81 CCCOC(=O)OCSCOC 62a_100000766300_200000139673 [0,2,0,0,0,0|2,0,0]=4 9843 B11R0.81 CCCOC(=O)OCSCSC 62a_100011218213_200000139673 [0,2,0,0,0,0|2,0,0]=4 9844 B11R0.81 CCCOCCC(=O)C#CCO 1458a_100000049017_100011215938 [0,2,0,0,0,0|1,0,1]=4 9845 B11R0.81 CCCOCCC(=O)C=COC 1458a_100016268678_100011215938 [0,2,0,0,0,0|1,0,1]=4 9846 B11R0.81 CCCOCCC(=O)CCC#N 1458a_100011934036_100011215938 [0,2,0,0,0,0|1,0,1]=4 9847 B11R0.81 CCCOCCC(=O)CCOC 1458a_100000749529_100011215938 [0,2,0,0,0,0|1,0,0]=3 9848 B11R0.81 CCCOCCC(=O)CCSC 1458a_100000174002_100011215938 [0,2,0,0,0,0|1,0,0]=3 9849 B11R0.81 CCCOCCC(=O)COCC 1458a_100000211967_100011215938 [0,2,0,0,0,0|0,0,0]=2 9850 B11R0.81 CCCOCCC(=O)CSCC 1458a_100000230394_100011215938 [0,2,0,0,0,0|0,1,0]=3 9851 B11R0.81 CCCOCOC(=O)OCCC 34a_100000210258_200000139673 [0,2,0,0,0,0|1,0,0]=3 9852 B11R0.81 CCNCC(=O)NCCCOC 2230a_100015525214_100000183178 [0,2,0,0,0,0|2,0,0]=4 9853 B11R0.81 CCNCC(=O)OCCOCC 2230a_100015525214_200000101388 [0,2,0,0,0,0|2,0,0]=4 9854 B11R0.81 CCNNC(=O)CCCCCO 22a_100000756455_100102619762 [0,2,0,0,0,0|1,0,0]=3 9855 B11R0.81 CCNNC(=O)CCOCCO 22a_100000756455_100011229844 [0,2,0,0,0,0|2,0,0]=4 9856 B11R0.81 CCNNC(=O)COCCOC 22a_100000756455_100000211095 [0,2,0,0,0,0|2,0,0]=4 9857 B11R0.81 CCNNC(=O)NCCCCO 273464a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 9858 B11R0.81 CCNNC(=O)NCCCCO 512a_100000750430_100000756455 [0,2,0,0,0,0|2,0,0]=4 9859 B11R0.81 CCNNC(=O)NCCCCO 512a_100000756455_100000750430 [0,2,0,0,0,0|2,0,0]=4 9860 B11R0.81 CCNNC(=O)NCCCOC 273464a_100150723488_100000756455 [0,2,0,0,0,0|2,0,0]=4 9861 B11R0.81 CCNNC(=O)NCCCOC 512a_100000756455_100150723488 [0,2,0,0,0,0|2,0,0]=4 9862 B11R0.81 CCNNC(=O)NCCCSC 273464a_100000749238_100000756455 [0,2,0,0,0,0|2,0,0]=4 9863 B11R0.81 CCNNC(=O)NCCCSC 512a_100000749238_100000756455 [0,2,0,0,0,0|2,0,0]=4 9864 B11R0.81 CCNNC(=O)NCCCSC 512a_100000756455_100000749238 [0,2,0,0,0,0|2,0,0]=4 9865 B11R0.81 CCNNC(=O)NCCOCC 273464a_102516460346_100000756455 [0,2,0,0,0,0|2,0,0]=4 9866 B11R0.81 CCNNC(=O)NCCOCC 512a_100000756455_100011200944 [0,2,0,0,0,0|2,0,0]=4 9867 B11R0.81 CCNNC(=O)NCCOCC 512a_100011200944_100000756455 [0,2,0,0,0,0|2,0,0]=4 9868 B11R0.81 CCNNC(=O)NCCSCC 273464a_100000106463_100000756455 [0,2,0,0,0,0|2,0,0]=4 9869 B11R0.81 CCNNC(=O)NCCSCC 512a_100000106463_100000756455 [0,2,0,0,0,0|2,0,0]=4 9870 B11R0.81 CCNNC(=O)NCCSCC 512a_100000756455_100000106463 [0,2,0,0,0,0|2,0,0]=4 9871 B11R0.81 CCOCC(=O)CCCCC#N 1458a_100000211967_100000211819 [0,2,0,0,0,0|0,0,1]=3 9872 B11R0.81 CCOCC(=O)CCCCCF 1458a_100000211967_100000729378 [0,2,0,0,0,0|0,0,0]=2 9873 B11R0.81 CCOCC(=O)CCCCCO 1458a_100000211967_100000746330 [0,2,0,0,0,0|0,0,0]=2 9874 B11R0.81 CCOCC(=O)CCCCOC 1458a_100000211967_100000755781 [0,2,0,0,0,0|0,0,0]=2 9875 B11R0.81 CCOCC(=O)CCOCC#N 1458a_100000211967_200000047693 [0,2,0,0,0,0|1,0,1]=4 9876 B11R0.81 CCOCC(=O)CCOCCO 1458a_100000211967_100011215305 [0,2,0,0,0,0|1,0,0]=3 9877 B11R0.81 CCOCC(=O)NCCCCO 240690a_100000750430_100000211967 [0,2,0,0,0,0|1,0,0]=3 9878 B11R0.81 CCOCC(=O)NCCCCO 527a_100000750430_100000211967 [0,2,0,0,0,0|1,0,0]=3 9879 B11R0.81 CCOCC(=O)NCCCOC 1626a_100150723488_100000211967 [0,2,0,0,0,0|1,0,0]=3 9880 B11R0.81 CCOCC(=O)NCCCOC 240690a_100150723488_100000211967 [0,2,0,0,0,0|1,0,0]=3 9881 B11R0.81 CCOCC(=O)NCCCOC 34a_100121572206_100000183178 [0,2,0,0,0,0|1,0,0]=3 9882 B11R0.81 CCOCC(=O)NCCCOC 527a_100150723488_100000211967 [0,2,0,0,0,0|1,0,0]=3 9883 B11R0.81 CCOCC(=O)NCCCSC 11a_100000749238_100000211967 [0,2,0,0,0,0|1,0,0]=3 9884 B11R0.81 CCOCC(=O)NCCCSC 1626a_100000749238_100000211967 [0,2,0,0,0,0|1,0,0]=3 9885 B11R0.81 CCOCC(=O)NCCCSC 240690a_100000749238_100000211967 [0,2,0,0,0,0|1,0,0]=3 9886 B11R0.81 CCOCC(=O)NCCCSC 527a_100000749238_100000211967 [0,2,0,0,0,0|1,0,0]=3 9887 B11R0.81 CCOCC(=O)NCCSCC 11a_100000106463_100000211967 [0,2,0,0,0,0|1,0,0]=3 9888 B11R0.81 CCOCC(=O)NCCSCC 1626a_100000106463_100000211967 [0,2,0,0,0,0|1,0,0]=3 9889 B11R0.81 CCOCC(=O)NCCSCC 240690a_100000106463_100000211967 [0,2,0,0,0,0|1,0,0]=3 9890 B11R0.81 CCOCC(=O)NCCSCC 527a_100000106463_100000211967 [0,2,0,0,0,0|1,0,0]=3 9891 B11R0.81 CCOCC(=O)NNCCOC 22a_100000741390_100000211967 [0,2,0,0,0,0|2,0,0]=4 9892 B11R0.81 CCOCCCC(=O)C#CCO 1458a_100000049017_100012232248 [0,2,0,0,0,0|1,0,1]=4 9893 B11R0.81 CCOCCCC(=O)C=COC 1458a_100016268678_100012232248 [0,2,0,0,0,0|1,0,1]=4 9894 B11R0.81 CCOCCCC(=O)CCC#N 1458a_100011934036_100012232248 [0,2,0,0,0,0|1,0,1]=4 9895 B11R0.81 CCOCCCC(=O)CCOC 1458a_100000749529_100012232248 [0,2,0,0,0,0|1,0,0]=3 9896 B11R0.81 CCOCCCC(=O)CCSC 1458a_100000174002_100012232248 [0,2,0,0,0,0|1,0,0]=3 9897 B11R0.81 CCOCCCC(=O)COCC 1458a_100000211967_100012232248 [0,2,0,0,0,0|0,0,0]=2 9898 B11R0.81 CCOCCCC(=O)CSCC 1458a_100000230394_100012232248 [0,2,0,0,0,0|0,1,0]=3 9899 B11R0.81 CCOCCNC(=O)CCOC 11a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 9900 B11R0.81 CCOCCNC(=O)CCOC 1626a_102516460346_100000749529 [0,2,0,0,0,0|2,0,0]=4 9901 B11R0.81 CCOCCNC(=O)CCOC 240690a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 9902 B11R0.81 CCOCCNC(=O)CCOC 527a_100011200944_100000749529 [0,2,0,0,0,0|2,0,0]=4 9903 B11R0.81 CCOCCNC(=O)CCSC 11a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 9904 B11R0.81 CCOCCNC(=O)CCSC 1626a_102516460346_100000174002 [0,2,0,0,0,0|2,0,0]=4 9905 B11R0.81 CCOCCNC(=O)CCSC 240690a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 9906 B11R0.81 CCOCCNC(=O)CCSC 527a_100011200944_100000174002 [0,2,0,0,0,0|2,0,0]=4 9907 B11R0.81 CCOCCNC(=O)COCC 11a_100011200944_100000211967 [0,2,0,0,0,0|1,0,0]=3 9908 B11R0.81 CCOCCNC(=O)COCC 1626a_102516460346_100000211967 [0,2,0,0,0,0|1,0,0]=3 9909 B11R0.81 CCOCCNC(=O)COCC 240690a_100011200944_100000211967 [0,2,0,0,0,0|1,0,0]=3 9910 B11R0.81 CCOCCNC(=O)COCC 527a_100011200944_100000211967 [0,2,0,0,0,0|1,0,0]=3 9911 B11R0.81 CCOCCNC(=O)CSCC 11a_100011200944_100000230394 [0,2,0,0,0,0|1,1,0]=4 9912 B11R0.81 CCOCCNC(=O)CSCC 1626a_102516460346_100000230394 [0,2,0,0,0,0|1,1,0]=4 9913 B11R0.81 CCOCCNC(=O)CSCC 240690a_100011200944_100000230394 [0,2,0,0,0,0|1,1,0]=4 9914 B11R0.81 CCOCCNC(=O)CSCC 527a_100011200944_100000230394 [0,2,0,0,0,0|1,1,0]=4 9915 B11R0.81 CCOCCNC(=O)NCCF 2708a_100011200944_100000724931 [0,2,0,0,0,0|2,0,0]=4 9916 B11R0.81 CCOCCNC(=O)NCCF 273464a_100000724931_102516460346 [0,2,0,0,0,0|2,0,0]=4 9917 B11R0.81 CCOCCNC(=O)NCCF 273464a_102516460346_100000724931 [0,2,0,0,0,0|2,0,0]=4 9918 B11R0.81 CCOCCNC(=O)NCCF 512a_100011200944_100000724931 [0,2,0,0,0,0|2,0,0]=4 9919 B11R0.81 CCOCCNC(=O)NCCO 2708a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 9920 B11R0.81 CCOCCNC(=O)NCCO 273464a_100000210304_102516460346 [0,2,0,0,0,0|2,0,0]=4 9921 B11R0.81 CCOCCNC(=O)NCCO 273464a_102516460346_100000210304 [0,2,0,0,0,0|2,0,0]=4 9922 B11R0.81 CCOCCNC(=O)NCCO 512a_100011200944_100000210304 [0,2,0,0,0,0|2,0,0]=4 9923 B11R0.81 CCOCCOC(=O)COCC 34a_100121572206_200000101388 [0,2,0,0,0,0|1,0,0]=3 9924 B11R0.81 CCOCCOC(=O)CSCC 62a_100000210202_200000101388 [0,2,0,0,0,0|1,1,0]=4 9925 B11R0.81 CCOCCOC(=O)CSCC 62a_200000101388_100000210202 [0,2,0,0,0,0|1,1,0]=4 9926 B11R0.81 CCOCN(C)CCCCCO 269982a_100000722520_100000739092 [0,2,0,0,0,0|2,0,0]=4 9927 B11R0.81 CCSCC(=O)CCCCC#N 1458a_100000230394_100000211819 [0,2,0,0,0,0|0,1,1]=4 9928 B11R0.81 CCSCC(=O)CCCCCF 1458a_100000230394_100000729378 [0,2,0,0,0,0|0,1,0]=3 9929 B11R0.81 CCSCC(=O)CCCCCO 1458a_100000230394_100000746330 [0,2,0,0,0,0|0,1,0]=3 9930 B11R0.81 CCSCC(=O)CCCCOC 1458a_100000230394_100000755781 [0,2,0,0,0,0|0,1,0]=3 9931 B11R0.81 CCSCC(=O)CCOCCO 1458a_100000230394_100011215305 [0,2,0,0,0,0|1,1,0]=4 9932 B11R0.81 CCSCC(=O)NCCCCO 240690a_100000750430_100000230394 [0,2,0,0,0,0|1,1,0]=4 9933 B11R0.81 CCSCC(=O)NCCCCO 527a_100000750430_100000230394 [0,2,0,0,0,0|1,1,0]=4 9934 B11R0.81 CCSCC(=O)NCCCOC 1626a_100150723488_100000230394 [0,2,0,0,0,0|1,1,0]=4 9935 B11R0.81 CCSCC(=O)NCCCOC 240690a_100150723488_100000230394 [0,2,0,0,0,0|1,1,0]=4 9936 B11R0.81 CCSCC(=O)NCCCOC 527a_100150723488_100000230394 [0,2,0,0,0,0|1,1,0]=4 9937 B11R0.81 CCSCC(=O)NCCCOC 62a_100000183178_100000210202 [0,2,0,0,0,0|1,1,0]=4 9938 B11R0.81 CCSCC(=O)NCCCSC 11a_100000749238_100000230394 [0,2,0,0,0,0|1,1,0]=4 9939 B11R0.81 CCSCC(=O)NCCCSC 1626a_100000749238_100000230394 [0,2,0,0,0,0|1,1,0]=4 9940 B11R0.81 CCSCC(=O)NCCCSC 240690a_100000749238_100000230394 [0,2,0,0,0,0|1,1,0]=4 9941 B11R0.81 CCSCC(=O)NCCCSC 527a_100000749238_100000230394 [0,2,0,0,0,0|1,1,0]=4 9942 B11R0.81 CCSCCNC(=O)CCOC 11a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 9943 B11R0.81 CCSCCNC(=O)CCOC 1626a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 9944 B11R0.81 CCSCCNC(=O)CCOC 240690a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 9945 B11R0.81 CCSCCNC(=O)CCOC 527a_100000106463_100000749529 [0,2,0,0,0,0|2,0,0]=4 9946 B11R0.81 CCSCCNC(=O)CCSC 11a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 9947 B11R0.81 CCSCCNC(=O)CCSC 1626a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 9948 B11R0.81 CCSCCNC(=O)CCSC 240690a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 9949 B11R0.81 CCSCCNC(=O)CCSC 527a_100000106463_100000174002 [0,2,0,0,0,0|2,0,0]=4 9950 B11R0.81 CCSCCNC(=O)CSCC 11a_100000106463_100000230394 [0,2,0,0,0,0|1,1,0]=4 9951 B11R0.81 CCSCCNC(=O)CSCC 1626a_100000106463_100000230394 [0,2,0,0,0,0|1,1,0]=4 9952 B11R0.81 CCSCCNC(=O)CSCC 240690a_100000106463_100000230394 [0,2,0,0,0,0|1,1,0]=4 9953 B11R0.81 CCSCCNC(=O)CSCC 527a_100000106463_100000230394 [0,2,0,0,0,0|1,1,0]=4 9954 B11R0.81 CCSCCNC(=O)NCCF 2708a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 9955 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 9956 B11R0.81 CCSCCNC(=O)NCCF 273464a_100000724931_100000106463 [0,2,0,0,0,0|2,0,0]=4 9957 B11R0.81 CCSCCNC(=O)NCCF 512a_100000106463_100000724931 [0,2,0,0,0,0|2,0,0]=4 9958 B11R0.81 CCSCCNC(=O)NCCO 2708a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 9959 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 9960 B11R0.81 CCSCCNC(=O)NCCO 273464a_100000210304_100000106463 [0,2,0,0,0,0|2,0,0]=4 9961 B11R0.81 CCSCCNC(=O)NCCO 512a_100000106463_100000210304 [0,2,0,0,0,0|2,0,0]=4 9962 B11R0.81 COC=CC(=O)CCCCCF 1458a_100016268678_100000729378 [0,2,0,0,0,0|1,0,1]=4 9963 B11R0.81 COC=CC(=O)CCCCCO 1458a_100016268678_100000746330 [0,2,0,0,0,0|1,0,1]=4 9964 B11R0.81 COC=CC(=O)CCCCOC 1458a_100016268678_100000755781 [0,2,0,0,0,0|1,0,1]=4 9965 B11R0.81 COCCC(=O)CCCCC#N 1458a_100000749529_100000211819 [0,2,0,0,0,0|1,0,1]=4 9966 B11R0.81 COCCC(=O)CCCCCF 1458a_100000749529_100000729378 [0,2,0,0,0,0|1,0,0]=3 9967 B11R0.81 COCCC(=O)CCCCCO 1458a_100000749529_100000746330 [0,2,0,0,0,0|1,0,0]=3 9968 B11R0.81 COCCC(=O)CCCCCO 1458a_100102619762_100000233755 [0,2,0,0,0,0|1,0,0]=3 9969 B11R0.81 COCCC(=O)CCOCCO 1458a_100000749529_100011215305 [0,2,0,0,0,0|2,0,0]=4 9970 B11R0.81 COCCC(=O)CCOCCO 1458a_100011229844_100000233755 [0,2,0,0,0,0|2,0,0]=4 9971 B11R0.81 COCCC(=O)NCCCCO 240690a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 9972 B11R0.81 COCCC(=O)NCCCCO 527a_100000750430_100000749529 [0,2,0,0,0,0|2,0,0]=4 9973 B11R0.81 COCCC(=O)NCCCSC 11a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 9974 B11R0.81 COCCC(=O)NCCCSC 1626a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 9975 B11R0.81 COCCC(=O)NCCCSC 240690a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 9976 B11R0.81 COCCC(=O)NCCCSC 527a_100000749238_100000749529 [0,2,0,0,0,0|2,0,0]=4 9977 B11R0.81 COCCCCC(=O)C#CCO 1458a_100000049017_100000755781 [0,2,0,0,0,0|1,0,1]=4 9978 B11R0.81 COCCCCC(=O)CCC#N 1458a_100011934036_100000755781 [0,2,0,0,0,0|1,0,1]=4 9979 B11R0.81 COCCCCC(=O)CCOC 1458a_100000749529_100000755781 [0,2,0,0,0,0|1,0,0]=3 9980 B11R0.81 COCCCCC(=O)CCSC 1458a_100000174002_100000755781 [0,2,0,0,0,0|1,0,0]=3 9981 B11R0.81 COCCCNC(=O)CCOC 1626a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 9982 B11R0.81 COCCCNC(=O)CCOC 240690a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 9983 B11R0.81 COCCCNC(=O)CCOC 527a_100150723488_100000749529 [0,2,0,0,0,0|2,0,0]=4 9984 B11R0.81 COCCCNC(=O)CCSC 1626a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 9985 B11R0.81 COCCCNC(=O)CCSC 240690a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 9986 B11R0.81 COCCCNC(=O)CCSC 527a_100150723488_100000174002 [0,2,0,0,0,0|2,0,0]=4 9987 B11R0.81 COCCCNC(=O)NCCF 2708a_100150723488_100000724931 [0,2,0,0,0,0|2,0,0]=4 9988 B11R0.81 COCCCNC(=O)NCCF 273464a_100000724931_100150723488 [0,2,0,0,0,0|2,0,0]=4 9989 B11R0.81 COCCCNC(=O)NCCF 273464a_100150723488_100000724931 [0,2,0,0,0,0|2,0,0]=4 9990 B11R0.81 COCCCNC(=O)NCCO 2708a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 9991 B11R0.81 COCCCNC(=O)NCCO 273464a_100000210304_100150723488 [0,2,0,0,0,0|2,0,0]=4 9992 B11R0.81 COCCCNC(=O)NCCO 273464a_100150723488_100000210304 [0,2,0,0,0,0|2,0,0]=4 9993 B11R0.81 COCCNCC(=O)NCCF 2230a_100000725713_100011201679 [0,2,0,0,0,0|2,0,0]=4 9994 B11R0.81 COCCOCC(=O)CCCF 1458a_100000211095_100011934791 [0,2,0,0,0,0|2,0,0]=4 9995 B11R0.81 COCCOCC(=O)CCCO 1458a_100000211095_100011215043 [0,2,0,0,0,0|2,0,0]=4 9996 B11R0.81 COCCOCC(=O)CCOC 1458a_100000211095_100000233755 [0,2,0,0,0,0|2,0,0]=4 9997 B11R0.81 COCCOCC(=O)CCSC 1458a_100000211095_100000751147 [0,2,0,0,0,0|2,0,0]=4 9998 B11R0.81 COCCOCC(=O)NCCF 11a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 9999 B11R0.81 COCCOCC(=O)NCCF 1626a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 10000 B11R0.81 COCCOCC(=O)NCCF 240690a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 10001 B11R0.81 COCCOCC(=O)NCCF 527a_100000724931_100000211095 [0,2,0,0,0,0|2,0,0]=4 10002 B11R0.81 COCCOCC(=O)NCCO 240690a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 10003 B11R0.81 COCCOCC(=O)NCCO 527a_100000210304_100000211095 [0,2,0,0,0,0|2,0,0]=4 10004 B11R0.81 CSCCC(=O)CCCCC#N 1458a_100000174002_100000211819 [0,2,0,0,0,0|1,0,1]=4 10005 B11R0.81 CSCCC(=O)CCCCCF 1458a_100000174002_100000729378 [0,2,0,0,0,0|1,0,0]=3 10006 B11R0.81 CSCCC(=O)CCCCCO 1458a_100000174002_100000746330 [0,2,0,0,0,0|1,0,0]=3 10007 B11R0.81 CSCCC(=O)CCCCCO 1458a_100102619762_100000751147 [0,2,0,0,0,0|1,0,0]=3 10008 B11R0.81 CSCCC(=O)CCOCCO 1458a_100000174002_100011215305 [0,2,0,0,0,0|2,0,0]=4 10009 B11R0.81 CSCCC(=O)CCOCCO 1458a_100011229844_100000751147 [0,2,0,0,0,0|2,0,0]=4 10010 B11R0.81 CSCCC(=O)NCCCCO 240690a_100000750430_100000174002 [0,2,0,0,0,0|2,0,0]=4 10011 B11R0.81 CSCCC(=O)NCCCCO 527a_100000750430_100000174002 [0,2,0,0,0,0|2,0,0]=4 10012 B11R0.81 CSCCCNC(=O)CCSC 11a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 10013 B11R0.81 CSCCCNC(=O)CCSC 1626a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 10014 B11R0.81 CSCCCNC(=O)CCSC 240690a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 10015 B11R0.81 CSCCCNC(=O)CCSC 527a_100000749238_100000174002 [0,2,0,0,0,0|2,0,0]=4 10016 B11R0.81 CSCCCNC(=O)NCCF 2708a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 10017 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000724931_100000749238 [0,2,0,0,0,0|2,0,0]=4 10018 B11R0.81 CSCCCNC(=O)NCCF 273464a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 10019 B11R0.81 CSCCCNC(=O)NCCF 512a_100000749238_100000724931 [0,2,0,0,0,0|2,0,0]=4 10020 B11R0.81 CSCCCNC(=O)NCCO 2708a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 10021 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000210304_100000749238 [0,2,0,0,0,0|2,0,0]=4 10022 B11R0.81 CSCCCNC(=O)NCCO 273464a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 10023 B11R0.81 CSCCCNC(=O)NCCO 512a_100000749238_100000210304 [0,2,0,0,0,0|2,0,0]=4 10024 B11R0.81 CSCCNCC(=O)NCCF 2230a_100000725713_100000751147 [0,2,0,0,0,0|2,0,0]=4 10025 B11R0.81 N#CCCC(=O)CCCCCF 1458a_100011934036_100000729378 [0,2,0,0,0,0|1,0,1]=4 10026 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100011934036_100000746330 [0,2,0,0,0,0|1,0,1]=4 10027 B11R0.81 N#CCCC(=O)CCCCCO 1458a_100102619762_100011215226 [0,2,0,0,0,0|1,0,1]=4 10028 B11R0.81 O=C(C#CCO)CCCCCF 1458a_100000049017_100000729378 [0,2,0,0,0,0|1,0,1]=4 10029 B11R0.81 O=C(C#CCO)CCCCCO 1458a_100000049017_100000746330 [0,2,0,0,0,0|1,0,1]=4 10030 B11R0.81 O=C(CCCCCO)NCCF 240690a_100000724931_100102619762 [0,2,0,0,0,0|1,0,0]=3 10031 B11R0.81 O=C(CCCCCO)NCCO 240690a_100000210304_100102619762 [0,2,0,0,0,0|1,0,0]=3 10032 B11R0.81 O=C(CCCF)CCCCCO 1458a_100102619762_100011934791 [0,2,0,0,0,0|1,0,0]=3 10033 B11R0.81 O=C(CCCF)CCOCCO 1458a_100011229844_100011934791 [0,2,0,0,0,0|2,0,0]=4 10034 B11R0.81 O=C(CCCO)CCCCCO 1458a_100102619762_100011215043 [0,2,0,0,0,0|1,0,0]=3 10035 B11R0.81 O=C(CCCO)CCOCCO 1458a_100011229844_100011215043 [0,2,0,0,0,0|2,0,0]=4 10036 B11R0.81 O=C(CCOCCO)NCCF 1626a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 10037 B11R0.81 O=C(CCOCCO)NCCF 240690a_100000724931_100011229844 [0,2,0,0,0,0|2,0,0]=4 10038 B11R0.81 O=C(CCOCCO)NCCO 240690a_100000210304_100011229844 [0,2,0,0,0,0|2,0,0]=4 10039 B11R0.81 O=C(CNCCCF)NCCF 2230a_100000725713_100011934791 [0,2,0,0,0,0|2,0,0]=4 10040 B11R0.81 O=C(CNCCCO)NCCF 2230a_100000725713_100000230001 [0,2,0,0,0,0|2,0,0]=4 10041 B11R0.81 O=C(NCCF)NCCCCO 2708a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 10042 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000724931_100000750430 [0,2,0,0,0,0|2,0,0]=4 10043 B11R0.81 O=C(NCCF)NCCCCO 273464a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 10044 B11R0.81 O=C(NCCF)NCCCCO 512a_100000750430_100000724931 [0,2,0,0,0,0|2,0,0]=4 10045 B11R0.81 O=C(NCCO)NCCCCO 2708a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 10046 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000210304_100000750430 [0,2,0,0,0,0|2,0,0]=4 10047 B11R0.81 O=C(NCCO)NCCCCO 273464a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 10048 B11R0.81 O=C(NCCO)NCCCCO 512a_100000750430_100000210304 [0,2,0,0,0,0|2,0,0]=4 10049 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100000696528_100000758301 [0,2,0,0,0,0|1,0,1]=4 10050 B11R0.142 C#CCCCCC(=O)C(C)CC 1458a_100011192722_100010269958 [0,2,0,0,0,0|1,0,1]=4 10051 B11R0.142 C#CCCCCC(=O)C(O)CC 1458a_100011196387_100010269958 [0,2,0,0,0,0|1,0,1]=4 10052 B11R0.142 C#CCCCCC(=O)N(C)CC 11a_100000225621_100000696528 [0,2,0,0,0,0|1,0,1]=4 10053 B11R0.142 C#CCCCCC(=O)N(C)CC 1626a_100000225621_100000696528 [0,2,0,0,0,0|1,0,1]=4 10054 B11R0.142 C#CCCCCC(=O)N(C)CC 240690a_100000225621_100000696528 [0,2,0,0,0,0|1,0,1]=4 10055 B11R0.142 C#CCCCCC(=O)N(C)CC 527a_100000225621_100000696528 [0,2,0,0,0,0|1,0,1]=4 10056 B11R0.142 C/C=C(\C)/C(=O)CCCCCC 1458a_100020587367_100000210757 [0,2,0,0,0,0|1,0,1]=4 10057 B11R0.142 C/C=C(\C)/C(=O)CCCCCF 1458a_100020587367_100000729378 [0,2,0,0,0,0|1,0,1]=4 10058 B11R0.142 C/C=C(\C)/C(=O)CCCCCO 1458a_100020587367_100000746330 [0,2,0,0,0,0|1,0,1]=4 10059 B11R0.142 C/C=C(\C)/C(=O)CCCCOC 1458a_100020587367_100000755781 [0,2,0,0,0,0|1,0,1]=4 10060 B11R0.142 C/C=C(\C)/C(=O)CCCOCC 1458a_100020587367_100012232248 [0,2,0,0,0,0|1,0,1]=4 10061 B11R0.142 C/C=C(\C)/C(=O)CCOCCC 1458a_100020587367_100011215938 [0,2,0,0,0,0|1,0,1]=4 10062 B11R0.142 C/C=C(\C)/C(=O)COCCCC 1458a_100020587367_100011995733 [0,2,0,0,0,0|1,0,1]=4 10063 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 11a_100000209983_100020587367 [0,2,0,0,0,0|1,0,1]=4 10064 B11R0.142 C/C=C(\C)/C(=O)NCCCCC 1626a_100000209983_100020587367 [0,2,0,0,0,0|1,0,1]=4 10065 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011192722_100011215482 [0,2,0,0,0,0|1,0,1]=4 10066 B11R0.142 C=CCCCCC(=O)C(C)CC 1458a_100011215552_100000758301 [0,2,0,0,0,0|1,0,1]=4 10067 B11R0.142 C=CCCCCC(=O)C(O)CC 1458a_100011196387_100011215482 [0,2,0,0,0,0|1,0,1]=4 10068 B11R0.142 C=CCCCCC(=O)N(C)CC 11a_100000225621_100011215552 [0,2,0,0,0,0|1,0,1]=4 10069 B11R0.142 C=CCCCCC(=O)N(C)CC 1626a_100000225621_100011215552 [0,2,0,0,0,0|1,0,1]=4 10070 B11R0.142 C=CCCCCC(=O)N(C)CC 240690a_100000225621_100011215552 [0,2,0,0,0,0|1,0,1]=4 10071 B11R0.142 C=CCCCCC(=O)N(C)CC 527a_100000225621_100011215552 [0,2,0,0,0,0|1,0,1]=4 10072 B11R0.142 CC/C=C\CCC(=O)C(C)CC 1458a_100011192722_100015370543 [0,2,0,0,0,0|1,0,1]=4 10073 B11R0.142 CC/C=C\CCC(=O)C(O)CC 1458a_100011196387_100015370543 [0,2,0,0,0,0|1,0,1]=4 10074 B11R0.142 CCC(C)C(=O)CCCCC#N 1458a_100011192722_100000211819 [0,2,0,0,0,0|1,0,1]=4 10075 B11R0.142 CCC(C)C(=O)CCCCCF 1458a_100011192722_100000729378 [0,2,0,0,0,0|1,0,0]=3 10076 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100011192722_100000746330 [0,2,0,0,0,0|1,0,0]=3 10077 B11R0.142 CCC(C)C(=O)CCCCCO 1458a_100102619762_100000758301 [0,2,0,0,0,0|1,0,0]=3 10078 B11R0.142 CCC(C)C(=O)CCCCOC 1458a_100011192722_100000755781 [0,2,0,0,0,0|1,0,0]=3 10079 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011192722_100011215305 [0,2,0,0,0,0|2,0,0]=4 10080 B11R0.142 CCC(C)C(=O)CCOCCO 1458a_100011229844_100000758301 [0,2,0,0,0,0|2,0,0]=4 10081 B11R0.142 CCC(C)C(=O)COCCOC 1458a_100000211095_100000758301 [0,2,0,0,0,0|2,0,0]=4 10082 B11R0.142 CCC(C)C(=O)NCCCCO 240690a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 10083 B11R0.142 CCC(C)C(=O)NCCCCO 527a_100000750430_100011192722 [0,2,0,0,0,0|2,0,0]=4 10084 B11R0.142 CCC(C)C(=O)NCCCOC 1626a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 10085 B11R0.142 CCC(C)C(=O)NCCCOC 240690a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 10086 B11R0.142 CCC(C)C(=O)NCCCOC 527a_100150723488_100011192722 [0,2,0,0,0,0|2,0,0]=4 10087 B11R0.142 CCC(C)C(=O)NCCCSC 11a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 10088 B11R0.142 CCC(C)C(=O)NCCCSC 1626a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 10089 B11R0.142 CCC(C)C(=O)NCCCSC 240690a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 10090 B11R0.142 CCC(C)C(=O)NCCCSC 527a_100000749238_100011192722 [0,2,0,0,0,0|2,0,0]=4 10091 B11R0.142 CCC(O)C(=O)CCCCC#N 1458a_100011196387_100000211819 [0,2,0,0,0,0|1,0,1]=4 10092 B11R0.142 CCC(O)C(=O)CCCCCF 1458a_100011196387_100000729378 [0,2,0,0,0,0|1,0,0]=3 10093 B11R0.142 CCC(O)C(=O)CCCCCO 1458a_100011196387_100000746330 [0,2,0,0,0,0|1,0,0]=3 10094 B11R0.142 CCC(O)C(=O)CCCCOC 1458a_100011196387_100000755781 [0,2,0,0,0,0|1,0,0]=3 10095 B11R0.142 CCC(O)C(=O)CCOCCO 1458a_100011196387_100011215305 [0,2,0,0,0,0|2,0,0]=4 10096 B11R0.142 CCC(O)C(=O)NCCCCO 240690a_100000750430_100011196387 [0,2,0,0,0,0|2,0,0]=4 10097 B11R0.142 CCC(O)C(=O)NCCCOC 240690a_100150723488_100011196387 [0,2,0,0,0,0|2,0,0]=4 10098 B11R0.142 CCC(O)C(=O)NCCCSC 240690a_100000749238_100011196387 [0,2,0,0,0,0|2,0,0]=4 10099 B11R0.142 CCC/C=C/CC(=O)C(C)CC 1458a_200016266809_100000758301 [0,2,0,0,0,0|1,0,1]=4 10100 B11R0.142 CCC/C=C/CC(=O)N(C)CC 11a_100000225621_200016266809 [0,2,0,0,0,0|1,0,1]=4 10101 B11R0.142 CCC/C=C/CC(=O)N(C)CC 1626a_100000225621_200016266809 [0,2,0,0,0,0|1,0,1]=4 10102 B11R0.142 CCC/C=C/CC(=O)N(C)CC 240690a_100000225621_200016266809 [0,2,0,0,0,0|1,0,1]=4 10103 B11R0.142 CCC/C=C/CC(=O)N(C)CC 527a_100000225621_200016266809 [0,2,0,0,0,0|1,0,1]=4 10104 B11R0.142 CCCCC=CC(=O)C(C)CC 1458a_100016266645_100000758301 [0,2,0,0,0,0|1,0,1]=4 10105 B11R0.142 CCCCC=CC(=O)N(C)CC 11a_100000225621_100016266645 [0,2,0,0,0,0|1,0,1]=4 10106 B11R0.142 CCCCC=CC(=O)N(C)CC 1626a_100000225621_100016266645 [0,2,0,0,0,0|1,0,1]=4 10107 B11R0.142 CCCCC=CC(=O)N(C)CC 240690a_100000225621_100016266645 [0,2,0,0,0,0|1,0,1]=4 10108 B11R0.142 CCCCCCC(=O)C(=O)NC 1458a_100011218921_100000210757 [0,2,0,0,0,0|2,0,0]=4 10109 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100011192722_100000210757 [0,2,0,0,0,0|1,0,0]=3 10110 B11R0.142 CCCCCCC(=O)C(C)CC 1458a_100102632555_100000758301 [0,2,0,0,0,0|1,0,0]=3 10111 B11R0.142 CCCCCCC(=O)C(C)OC 1458a_100000743197_100000210757 [0,2,0,0,0,0|2,0,0]=4 10112 B11R0.142 CCCCCCC(=O)C(C)SC 1458a_100000149566_100000210757 [0,2,0,0,0,0|2,0,0]=4 10113 B11R0.142 CCCCCCC(=O)C(O)CC 1458a_100011196387_100000210757 [0,2,0,0,0,0|1,0,0]=3 10114 B11R0.142 CCCCCCC(=O)C(O)CO 1458a_100011215603_100000210757 [0,2,0,0,0,0|2,0,0]=4 10115 B11R0.142 CCCCCCC(=O)N(C)CC 11a_100000225621_100102632555 [0,2,0,0,0,0|1,0,0]=3 10116 B11R0.142 CCCCCCC(=O)N(C)CC 1626a_100000225621_100102632555 [0,2,0,0,0,0|1,0,0]=3 10117 B11R0.142 CCCCCCC(=O)N(C)CC 240690a_100000225621_100102632555 [0,2,0,0,0,0|1,0,0]=3 10118 B11R0.142 CCCCCCC(=O)N(C)CC 527a_100000225621_100102632555 [0,2,0,0,0,0|1,0,0]=3 10119 B11R0.142 CCCCCNC(=O)C(=O)NC 1626a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 10120 B11R0.142 CCCCCNC(=O)C(=O)NC 240690a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 10121 B11R0.142 CCCCCNC(=O)C(=O)NC 527a_100000209983_100011218921 [0,2,0,0,0,0|2,0,0]=4 10122 B11R0.142 CCCCCNC(=O)C(=O)OC 11a_100000209983_100000024059 [0,2,0,0,0,0|2,0,0]=4 10123 B11R0.142 CCCCCNC(=O)C(=O)OC 1626a_100000209983_100000024059 [0,2,0,0,0,0|2,0,0]=4 10124 B11R0.142 CCCCCNC(=O)C(=O)OC 240690a_100000209983_100000024059 [0,2,0,0,0,0|2,0,0]=4 10125 B11R0.142 CCCCCNC(=O)C(=O)OC 527a_100000209983_100000024059 [0,2,0,0,0,0|2,0,0]=4 10126 B11R0.142 CCCCCNC(=O)C(C)CC 11a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 10127 B11R0.142 CCCCCNC(=O)C(C)CC 1626a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 10128 B11R0.142 CCCCCNC(=O)C(C)CC 240690a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 10129 B11R0.142 CCCCCNC(=O)C(C)CC 527a_100000209983_100011192722 [0,2,0,0,0,0|1,0,0]=3 10130 B11R0.142 CCCCCNC(=O)C(C)NC 2230a_106832991635_100000735910 [0,2,0,0,0,0|2,0,0]=4 10131 B11R0.142 CCCCCNC(=O)C(C)NC 7a_106832991635_100000735910 [0,2,0,0,0,0|2,0,0]=4 10132 B11R0.142 CCCCCNC(=O)C(C)OC 11a_100000209983_100000743197 [0,2,0,0,0,0|2,0,0]=4 10133 B11R0.142 CCCCCNC(=O)C(C)OC 1626a_100000209983_100000743197 [0,2,0,0,0,0|2,0,0]=4 10134 B11R0.142 CCCCCNC(=O)C(C)OC 240690a_100000209983_100000743197 [0,2,0,0,0,0|2,0,0]=4 10135 B11R0.142 CCCCCNC(=O)C(C)OC 527a_100000209983_100000743197 [0,2,0,0,0,0|2,0,0]=4 10136 B11R0.142 CCCCCNC(=O)C(C)SC 11a_100000209983_100000149566 [0,2,0,0,0,0|2,0,0]=4 10137 B11R0.142 CCCCCNC(=O)C(C)SC 1626a_100000209983_100000149566 [0,2,0,0,0,0|2,0,0]=4 10138 B11R0.142 CCCCCNC(=O)C(C)SC 240690a_100000209983_100000149566 [0,2,0,0,0,0|2,0,0]=4 10139 B11R0.142 CCCCCNC(=O)C(C)SC 527a_100000209983_100000149566 [0,2,0,0,0,0|2,0,0]=4 10140 B11R0.142 CCCCCNC(=O)C(C)SC 62a_100000735910_200000210301 [0,2,0,0,0,0|2,0,0]=4 10141 B11R0.142 CCCCCNC(=O)C(C)SC 62a_200000210301_100000735910 [0,2,0,0,0,0|2,0,0]=4 10142 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_100000735910_200025704644 [0,2,0,0,0,0|2,0,0]=4 10143 B11R0.142 CCCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735910 [0,2,0,0,0,0|2,0,0]=4 10144 B11R0.142 CCCCCNC(=O)C(O)CC 240690a_100000209983_100011196387 [0,2,0,0,0,0|1,0,0]=3 10145 B11R0.142 CCCCCNC(=O)C(O)CO 240690a_100000209983_100011215603 [0,2,0,0,0,0|2,0,0]=4 10146 B11R0.142 CCCCCNC(=O)N(C)CC 2708a_100000209983_100000225621 [0,2,0,0,0,0|1,0,0]=3 10147 B11R0.142 CCCCCNC(=O)N(C)CC 273464a_100000209983_100000225621 [0,2,0,0,0,0|1,0,0]=3 10148 B11R0.142 CCCCNCC(=O)N(C)CC 2230a_100000102301_100000738999 [0,2,0,0,0,0|1,0,0]=3 10149 B11R0.142 CCCCNCC(=O)N(C)CC 7a_106832991798_100000738999 [0,2,0,0,0,0|1,0,0]=3 10150 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100000102301_100000764215 [0,2,0,0,0,0|2,0,0]=4 10151 B11R0.142 CCCCNCC(=O)N(C)OC 2230a_100015207273_100000210211 [0,2,0,0,0,0|2,0,0]=4 10152 B11R0.142 CCCCNCC(=O)N(C)OC 7a_106832991798_100000764215 [0,2,0,0,0,0|2,0,0]=4 10153 B11R0.142 CCCCNNC(=O)C(C)CC 22a_100025702795_100011192722 [0,2,0,0,0,0|2,0,0]=4 10154 B11R0.142 CCCCNNC(=O)C(O)CC 22a_100025702795_100011196387 [0,2,0,0,0,0|2,0,0]=4 10155 B11R0.142 CCCCOCC(=O)C(=O)NC 1458a_100011218921_100011995733 [0,2,0,0,0,0|2,0,0]=4 10156 B11R0.142 CCCCOCC(=O)C(=O)OC 34a_100000210227_100011610305 [0,2,0,0,0,0|2,0,0]=4 10157 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100000757543_100000758301 [0,2,0,0,0,0|1,0,0]=3 10158 B11R0.142 CCCCOCC(=O)C(C)CC 1458a_100011192722_100011995733 [0,2,0,0,0,0|1,0,0]=3 10159 B11R0.142 CCCCOCC(=O)C(C)OC 1458a_100000743197_100011995733 [0,2,0,0,0,0|2,0,0]=4 10160 B11R0.142 CCCCOCC(=O)C(C)SC 1458a_100000149566_100011995733 [0,2,0,0,0,0|2,0,0]=4 10161 B11R0.142 CCCCOCC(=O)C(O)CC 1458a_100011196387_100011995733 [0,2,0,0,0,0|1,0,0]=3 10162 B11R0.142 CCCCOCC(=O)C(O)CO 1458a_100011215603_100011995733 [0,2,0,0,0,0|2,0,0]=4 10163 B11R0.142 CCCCOCC(=O)N(C)CC 11a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 10164 B11R0.142 CCCCOCC(=O)N(C)CC 1626a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 10165 B11R0.142 CCCCOCC(=O)N(C)CC 240690a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 10166 B11R0.142 CCCCOCC(=O)N(C)CC 34a_100000210227_100000738999 [0,2,0,0,0,0|1,0,0]=3 10167 B11R0.142 CCCCOCC(=O)N(C)CC 527a_100000225621_100000757543 [0,2,0,0,0,0|1,0,0]=3 10168 B11R0.142 CCCCOCC(=O)N(C)CC 7a_100000210227_100000738999 [0,2,0,0,0,0|1,0,0]=3 10169 B11R0.142 CCCCOCC(=O)N(C)OC 7a_100000210227_100000764215 [0,2,0,0,0,0|2,0,0]=4 10170 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100000210211_100011610305 [0,2,0,0,0,0|2,0,0]=4 10171 B11R0.142 CCCCSCC(=O)C(=O)OC 62a_100011610305_100000210210 [0,2,0,0,0,0|2,0,0]=4 10172 B11R0.142 CCCCSCC(=O)C(C)CC 1458a_100000191162_100000758301 [0,2,0,0,0,0|1,0,0]=3 10173 B11R0.142 CCCCSCC(=O)N(C)CC 11a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 10174 B11R0.142 CCCCSCC(=O)N(C)CC 1626a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 10175 B11R0.142 CCCCSCC(=O)N(C)CC 240690a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 10176 B11R0.142 CCCCSCC(=O)N(C)CC 527a_100000225621_100000191162 [0,2,0,0,0,0|1,0,0]=3 10177 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000210211_100000738999 [0,2,0,0,0,0|1,0,0]=3 10178 B11R0.142 CCCCSCC(=O)N(C)CC 62a_100000738999_100000210210 [0,2,0,0,0,0|1,0,0]=3 10179 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000210211_100000764215 [0,2,0,0,0,0|2,0,0]=4 10180 B11R0.142 CCCCSCC(=O)N(C)OC 62a_100000764215_100000210210 [0,2,0,0,0,0|2,0,0]=4 10181 B11R0.142 CCCOCCC(=O)C(=O)NC 1458a_100011218921_100011215938 [0,2,0,0,0,0|2,0,0]=4 10182 B11R0.142 CCCOCCC(=O)C(C)CC 1458a_100011192722_100011215938 [0,2,0,0,0,0|1,0,0]=3 10183 B11R0.142 CCCOCCC(=O)C(C)OC 1458a_100000743197_100011215938 [0,2,0,0,0,0|2,0,0]=4 10184 B11R0.142 CCCOCCC(=O)C(C)SC 1458a_100000149566_100011215938 [0,2,0,0,0,0|2,0,0]=4 10185 B11R0.142 CCCOCCC(=O)C(O)CC 1458a_100011196387_100011215938 [0,2,0,0,0,0|1,0,0]=3 10186 B11R0.142 CCCOCCC(=O)C(O)CO 1458a_100011215603_100011215938 [0,2,0,0,0,0|2,0,0]=4 10187 B11R0.142 CCN(C)C(=O)CCCCCO 240690a_100000225621_100102619762 [0,2,0,0,0,0|1,0,0]=3 10188 B11R0.142 CCN(C)C(=O)CCOCCO 1626a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 10189 B11R0.142 CCN(C)C(=O)CCOCCO 240690a_100000225621_100011229844 [0,2,0,0,0,0|2,0,0]=4 10190 B11R0.142 CCN(C)C(=O)CNCCCF 2230a_100015189416_100000738999 [0,2,0,0,0,0|2,0,0]=4 10191 B11R0.142 CCN(C)C(=O)CNCCCF 34a_100015189416_100000738999 [0,2,0,0,0,0|2,0,0]=4 10192 B11R0.142 CCN(C)C(=O)CNCCOC 2230a_100000209980_100000738999 [0,2,0,0,0,0|2,0,0]=4 10193 B11R0.142 CCN(C)C(=O)CNCCSC 2230a_100020590264_100000738999 [0,2,0,0,0,0|2,0,0]=4 10194 B11R0.142 CCN(C)C(=O)COCCCBr 34a_100011217188_100000738999 [0,2,0,0,0,0|2,0,0]=4 10195 B11R0.142 CCN(C)C(=O)COCCCCl 34a_100000230001_100000738999 [0,2,0,0,0,0|2,0,0]=4 10196 B11R0.142 CCN(C)C(=O)COCCCF 34a_100000759539_100000738999 [0,2,0,0,0,0|2,0,0]=4 10197 B11R0.142 CCN(C)C(=O)COCCCN 34a_100000182051_100000738999 [0,2,0,0,0,0|2,0,0]=4 10198 B11R0.142 CCN(C)C(=O)COCCOC 11a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 10199 B11R0.142 CCN(C)C(=O)COCCOC 1626a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 10200 B11R0.142 CCN(C)C(=O)COCCOC 240690a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 10201 B11R0.142 CCN(C)C(=O)COCCOC 34a_100000210237_100000738999 [0,2,0,0,0,0|2,0,0]=4 10202 B11R0.142 CCN(C)C(=O)COCCOC 527a_100000225621_100000211095 [0,2,0,0,0,0|2,0,0]=4 10203 B11R0.142 CCN(C)C(=O)COCCSC 34a_100000230434_100000738999 [0,2,0,0,0,0|2,0,0]=4 10204 B11R0.142 CCN(C)C(=O)COCCSC 7a_100000230434_100000738999 [0,2,0,0,0,0|2,0,0]=4 10205 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100000738999_100011934791 [0,2,0,0,0,0|2,0,0]=4 10206 B11R0.142 CCN(C)C(=O)CSCCCF 62a_100011934791_100000738999 [0,2,0,0,0,0|2,0,0]=4 10207 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100000738999_100011215043 [0,2,0,0,0,0|2,0,0]=4 10208 B11R0.142 CCN(C)C(=O)CSCCCO 62a_100011215043_100000738999 [0,2,0,0,0,0|2,0,0]=4 10209 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000233755_100000738999 [0,2,0,0,0,0|2,0,0]=4 10210 B11R0.142 CCN(C)C(=O)CSCCOC 62a_100000738999_100000233755 [0,2,0,0,0,0|2,0,0]=4 10211 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000212216_100000738999 [0,2,0,0,0,0|2,0,0]=4 10212 B11R0.142 CCN(C)C(=O)CSCCSC 62a_100000738999_100000751147 [0,2,0,0,0,0|2,0,0]=4 10213 B11R0.142 CCN(C)C(=O)NCCCCO 2708a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 10214 B11R0.142 CCN(C)C(=O)NCCCCO 273464a_100000750430_100000225621 [0,2,0,0,0,0|2,0,0]=4 10215 B11R0.142 CCN(C)C(=O)NCCCOC 2708a_100150723488_100000225621 [0,2,0,0,0,0|2,0,0]=4 10216 B11R0.142 CCN(C)C(=O)NCCCOC 273464a_100150723488_100000225621 [0,2,0,0,0,0|2,0,0]=4 10217 B11R0.142 CCN(C)C(=O)NCCCSC 2708a_100000749238_100000225621 [0,2,0,0,0,0|2,0,0]=4 10218 B11R0.142 CCN(C)C(=O)NCCCSC 273464a_100000749238_100000225621 [0,2,0,0,0,0|2,0,0]=4 10219 B11R0.142 CCOCCCC(=O)C(=O)NC 1458a_100011218921_100012232248 [0,2,0,0,0,0|2,0,0]=4 10220 B11R0.142 CCOCCCC(=O)C(C)CC 1458a_100011192722_100012232248 [0,2,0,0,0,0|1,0,0]=3 10221 B11R0.142 CCOCCCC(=O)C(C)OC 1458a_100000743197_100012232248 [0,2,0,0,0,0|2,0,0]=4 10222 B11R0.142 CCOCCCC(=O)C(C)SC 1458a_100000149566_100012232248 [0,2,0,0,0,0|2,0,0]=4 10223 B11R0.142 CCOCCCC(=O)C(O)CC 1458a_100011196387_100012232248 [0,2,0,0,0,0|1,0,0]=3 10224 B11R0.142 CCOCCCC(=O)C(O)CO 1458a_100011215603_100012232248 [0,2,0,0,0,0|2,0,0]=4 10225 B11R0.142 CCOCCNC(=O)C(C)CC 11a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 10226 B11R0.142 CCOCCNC(=O)C(C)CC 1626a_102516460346_100011192722 [0,2,0,0,0,0|2,0,0]=4 10227 B11R0.142 CCOCCNC(=O)C(C)CC 240690a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 10228 B11R0.142 CCOCCNC(=O)C(C)CC 527a_100011200944_100011192722 [0,2,0,0,0,0|2,0,0]=4 10229 B11R0.142 CCOCCNC(=O)C(O)CC 240690a_100011200944_100011196387 [0,2,0,0,0,0|2,0,0]=4 10230 B11R0.142 CCOCCNC(=O)N(C)CC 2708a_100011200944_100000225621 [0,2,0,0,0,0|2,0,0]=4 10231 B11R0.142 CCOCCNC(=O)N(C)CC 273464a_102516460346_100000225621 [0,2,0,0,0,0|2,0,0]=4 10232 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000738999_100000739092 [0,2,0,0,0,0|2,0,0]=4 10233 B11R0.142 CCOCSCC(=O)N(C)CC 62a_100000739092_100000738999 [0,2,0,0,0,0|2,0,0]=4 10234 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100000210202_100011842776 [0,2,0,0,0,0|2,0,0]=4 10235 B11R0.142 CCSCCCC(=O)N(C)OC 62a_100011842776_100000210202 [0,2,0,0,0,0|2,0,0]=4 10236 B11R0.142 CCSCCNC(=O)C(C)CC 11a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 10237 B11R0.142 CCSCCNC(=O)C(C)CC 1626a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 10238 B11R0.142 CCSCCNC(=O)C(C)CC 240690a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 10239 B11R0.142 CCSCCNC(=O)C(C)CC 527a_100000106463_100011192722 [0,2,0,0,0,0|2,0,0]=4 10240 B11R0.142 CCSCCNC(=O)C(O)CC 240690a_100000106463_100011196387 [0,2,0,0,0,0|2,0,0]=4 10241 B11R0.142 CCSCCNC(=O)N(C)CC 2708a_100000106463_100000225621 [0,2,0,0,0,0|2,0,0]=4 10242 B11R0.142 CCSCCNC(=O)N(C)CC 273464a_100000106463_100000225621 [0,2,0,0,0,0|2,0,0]=4 10243 B11R0.142 CNC(=O)C(=O)CCCCCF 1458a_100011218921_100000729378 [0,2,0,0,0,0|2,0,0]=4 10244 B11R0.142 CNC(=O)C(=O)CCCCCO 1458a_100011218921_100000746330 [0,2,0,0,0,0|2,0,0]=4 10245 B11R0.142 CNC(=O)C(=O)CCCCOC 1458a_100011218921_100000755781 [0,2,0,0,0,0|2,0,0]=4 10246 B11R0.142 COC(C)C(=O)CCCCCF 1458a_100000743197_100000729378 [0,2,0,0,0,0|2,0,0]=4 10247 B11R0.142 COC(C)C(=O)CCCCCO 1458a_100000743197_100000746330 [0,2,0,0,0,0|2,0,0]=4 10248 B11R0.142 COCCCCC(=O)C(C)OC 1458a_100000743197_100000755781 [0,2,0,0,0,0|2,0,0]=4 10249 B11R0.142 COCCCCC(=O)C(C)SC 1458a_100000149566_100000755781 [0,2,0,0,0,0|2,0,0]=4 10250 B11R0.142 COCCCCC(=O)C(O)CO 1458a_100011215603_100000755781 [0,2,0,0,0,0|2,0,0]=4 10251 B11R0.142 CSC(C)C(=O)CCCCCF 1458a_100000149566_100000729378 [0,2,0,0,0,0|2,0,0]=4 10252 B11R0.142 CSC(C)C(=O)CCCCCO 1458a_100000149566_100000746330 [0,2,0,0,0,0|2,0,0]=4 10253 B11R0.142 O=C(CCCCCF)C(O)CO 1458a_100011215603_100000729378 [0,2,0,0,0,0|2,0,0]=4 10254 B11R0.142 O=C(CCCCCO)C(O)CO 1458a_100011215603_100000746330 [0,2,0,0,0,0|2,0,0]=4 10255 B11R0.155 C#CCCCC(=O)C(C)OCC 1458a_100000739345_100000731252 [0,2,0,0,0,0|0,0,2]=4 10256 B11R0.155 C#CCCNC(C)C(=O)OCC 34a_100000755551_100011216346 [0,2,0,0,0,0|0,0,2]=4 10257 B11R0.155 C#CCCNC(F)C(=O)OCC 34a_100000755551_100000760018 [0,2,0,0,0,0|0,0,2]=4 10258 B11R0.155 C#CCCOC(C)C(=O)OCC 34a_100011215631_100011216346 [0,2,0,0,0,0|0,0,2]=4 10259 B11R0.155 C#CCCOC(F)C(=O)OCC 34a_100011215631_100000760018 [0,2,0,0,0,0|0,0,2]=4 10260 B11R0.155 C#CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000688953 [0,2,0,0,0,0|0,0,2]=4 10261 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100000688953_100011216346 [0,2,0,0,0,0|0,0,2]=4 10262 B11R0.155 C#CCCSC(C)C(=O)OCC 62a_100011216346_100000688953 [0,2,0,0,0,0|0,0,2]=4 10263 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000688953_100000760018 [0,2,0,0,0,0|0,0,2]=4 10264 B11R0.155 C#CCCSC(F)C(=O)OCC 62a_100000760018_100000688953 [0,2,0,0,0,0|0,0,2]=4 10265 B11R0.155 C#CCN(C)C(=O)CCCCC 11a_100000225692_100000212188 [0,2,0,0,0,0|1,0,1]=4 10266 B11R0.155 C#CCN(C)C(=O)CCCCC 1626a_100000225692_100000212188 [0,2,0,0,0,0|1,0,1]=4 10267 B11R0.155 C#CCN(C)C(=O)CCCCC 527a_100000225692_100000212188 [0,2,0,0,0,0|1,0,1]=4 10268 B11R0.155 C/C=C/COC(C)C(=O)OCC 34a_100016270725_100011216346 [0,2,0,0,0,0|0,0,2]=4 10269 B11R0.155 C/C=C/COC(F)C(=O)OCC 34a_100016270725_100000760018 [0,2,0,0,0,0|0,0,2]=4 10270 B11R0.155 C/C=C/CO[C@@H](C)C(=O)OCC 7a_100000751109_100102629194 [0,2,0,0,0,0|0,0,2]=4 10271 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100011216346_100102629194 [0,2,0,0,0,0|0,0,2]=4 10272 B11R0.155 C/C=C/CSC(C)C(=O)OCC 62a_100102629194_100011216346 [0,2,0,0,0,0|0,0,2]=4 10273 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100000760018_100102629194 [0,2,0,0,0,0|0,0,2]=4 10274 B11R0.155 C/C=C/CSC(F)C(=O)OCC 62a_100102629194_100000760018 [0,2,0,0,0,0|0,0,2]=4 10275 B11R0.155 C=C(CNCCF)C(=O)OCC 34a_100000724931_100000755967 [0,2,0,0,0,0|1,0,1]=4 10276 B11R0.155 C=C(CNCCO)C(=O)OCC 34a_100016990907_100000755967 [0,2,0,0,0,0|1,0,1]=4 10277 B11R0.155 C=C(COCCBr)C(=O)OCC 34a_100000211926_100000755967 [0,2,0,0,0,0|1,0,1]=4 10278 B11R0.155 C=C(COCCC)C(=O)OCC 34a_100000210258_100000755967 [0,2,0,0,0,0|0,0,1]=3 10279 B11R0.155 C=C(COCCN)C(=O)OCC 34a_100000210304_100000755967 [0,2,0,0,0,0|1,0,1]=4 10280 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000210303_100000755967 [0,2,0,0,0,0|0,0,1]=3 10281 B11R0.155 C=C(CSCCC)C(=O)OCC 62a_100000755967_100000210303 [0,2,0,0,0,0|0,0,1]=3 10282 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100000755967_100011217306 [0,2,0,0,0,0|1,0,1]=4 10283 B11R0.155 C=C(CSCCF)C(=O)OCC 62a_100011217306_100000755967 [0,2,0,0,0,0|1,0,1]=4 10284 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000211926_100000755967 [0,2,0,0,0,0|1,0,1]=4 10285 B11R0.155 C=C(CSCCO)C(=O)OCC 62a_100000755967_100000211926 [0,2,0,0,0,0|1,0,1]=4 10286 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000755967_100000766300 [0,2,0,0,0,0|1,0,1]=4 10287 B11R0.155 C=C(CSCOC)C(=O)OCC 62a_100000766300_100000755967 [0,2,0,0,0,0|1,0,1]=4 10288 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100000755967_100011218213 [0,2,0,0,0,0|1,0,1]=4 10289 B11R0.155 C=C(CSCSC)C(=O)OCC 62a_100011218213_100000755967 [0,2,0,0,0,0|1,0,1]=4 10290 B11R0.155 C=CCC(C)C(=O)CCCCC 1458a_100011216819_100000210326 [0,2,0,0,0,0|1,0,1]=4 10291 B11R0.155 C=CCCCC(=O)C(C)OCC 1458a_100000739345_100000757094 [0,2,0,0,0,0|0,0,2]=4 10292 B11R0.155 C=CCCNC(C)C(=O)OCC 2230a_100015191253_100011215307 [0,2,0,0,0,0|0,0,2]=4 10293 B11R0.155 C=CCCNC(F)C(=O)OCC 2230a_100015191253_100000760018 [0,2,0,0,0,0|0,0,2]=4 10294 B11R0.155 C=CCCOC(C)C(=O)OCC 34a_100011205117_100011216346 [0,2,0,0,0,0|0,0,2]=4 10295 B11R0.155 C=CCCOC(F)C(=O)OCC 34a_100011205117_100000760018 [0,2,0,0,0,0|0,0,2]=4 10296 B11R0.155 C=CCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000754431 [0,2,0,0,0,0|0,0,2]=4 10297 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100000754431_100011216346 [0,2,0,0,0,0|0,0,2]=4 10298 B11R0.155 C=CCCSC(C)C(=O)OCC 62a_100011216346_100000754431 [0,2,0,0,0,0|0,0,2]=4 10299 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000754431_100000760018 [0,2,0,0,0,0|0,0,2]=4 10300 B11R0.155 C=CCCSC(F)C(=O)OCC 62a_100000760018_100000754431 [0,2,0,0,0,0|0,0,2]=4 10301 B11R0.155 C=CCN(C)C(=O)CCCCC 11a_100000225617_100000212188 [0,2,0,0,0,0|1,0,1]=4 10302 B11R0.155 C=CCN(C)C(=O)CCCCC 1626a_100000225617_100000212188 [0,2,0,0,0,0|1,0,1]=4 10303 B11R0.155 C=CCN(C)C(=O)CCCCC 240690a_100000225617_100000212188 [0,2,0,0,0,0|1,0,1]=4 10304 B11R0.155 C=CCN(C)C(=O)CCCCC 527a_100000225617_100000212188 [0,2,0,0,0,0|1,0,1]=4 10305 B11R0.155 CC#CC(=O)C(C)CCCCC 1458a_100000763181_200011218191 [0,2,0,0,0,0|1,0,1]=4 10306 B11R0.155 CC#CCNC(C)C(=O)OCC 2230a_100000685387_100011215307 [0,2,0,0,0,0|0,0,2]=4 10307 B11R0.155 CC#CCNC(C)C(=O)OCC 34a_100000685387_100011216346 [0,2,0,0,0,0|0,0,2]=4 10308 B11R0.155 CC#CCNC(F)C(=O)OCC 2230a_100000685387_100000760018 [0,2,0,0,0,0|0,0,2]=4 10309 B11R0.155 CC#CCNC(F)C(=O)OCC 34a_100000685387_100000760018 [0,2,0,0,0,0|0,0,2]=4 10310 B11R0.155 CC#CCOC(C)C(=O)OCC 34a_100000761923_100011216346 [0,2,0,0,0,0|0,0,2]=4 10311 B11R0.155 CC#CCOC(F)C(=O)OCC 34a_100000761923_100000760018 [0,2,0,0,0,0|0,0,2]=4 10312 B11R0.155 CC#CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000748600 [0,2,0,0,0,0|0,0,2]=4 10313 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100000748600_100011216346 [0,2,0,0,0,0|0,0,2]=4 10314 B11R0.155 CC#CCSC(C)C(=O)OCC 62a_100011216346_100000748600 [0,2,0,0,0,0|0,0,2]=4 10315 B11R0.155 CC#CCSC(F)C(=O)OCC 62a_100000748600_100000760018 [0,2,0,0,0,0|0,0,2]=4 10316 B11R0.155 CC#CCSC(F)C(=O)OCC 62a_100000760018_100000748600 [0,2,0,0,0,0|0,0,2]=4 10317 B11R0.155 CC(CCO)C(=O)CCCCO 1458a_100000695505_100009893172 [0,2,0,0,0,0|2,0,0]=4 10318 B11R0.155 CC/C=C(\C)/C(=O)CCCCC 1458a_100016988807_100000210326 [0,2,0,0,0,0|1,0,0]=3 10319 B11R0.155 CC/C=C(\C)/C(=O)CCCCF 1458a_100016988807_100000729493 [0,2,0,0,0,0|2,0,0]=4 10320 B11R0.155 CC/C=C(\C)/C(=O)CCCCO 1458a_100016988807_100000210776 [0,2,0,0,0,0|2,0,0]=4 10321 B11R0.155 CC/C=C(\C)/C(=O)CCCOC 1458a_100016988807_100000740836 [0,2,0,0,0,0|2,0,0]=4 10322 B11R0.155 CC/C=C(\C)/C(=O)CCOCC 1458a_100016988807_100011215890 [0,2,0,0,0,0|2,0,0]=4 10323 B11R0.155 CC/C=C(\C)/C(=O)CCSCC 1458a_100016988807_100000757381 [0,2,0,0,0,0|2,0,0]=4 10324 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 11a_100000102301_100016988807 [0,2,0,0,0,0|2,0,0]=4 10325 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100016988807 [0,2,0,0,0,0|2,0,0]=4 10326 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 240690a_100000102301_100016988807 [0,2,0,0,0,0|2,0,0]=4 10327 B11R0.155 CC/C=C(\C)/C(=O)NCCCC 527a_100000102301_100016988807 [0,2,0,0,0,0|2,0,0]=4 10328 B11R0.155 CC/C=C\CC(=O)C(C)OCC 1458a_100000739345_100103147603 [0,2,0,0,0,0|0,0,2]=4 10329 B11R0.155 CC=CC(=O)C(C)CCCCC 1458a_100000210699_200011218191 [0,2,0,0,0,0|1,0,1]=4 10330 B11R0.155 CC=CC(=O)N(C)CCCCC 11a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 10331 B11R0.155 CC=CC(=O)N(C)CCCCC 1626a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 10332 B11R0.155 CC=CC(=O)N(C)CCCCC 240690a_100000223495_100000210699 [0,2,0,0,0,0|1,0,1]=4 10333 B11R0.155 CC=CCO[C@@H](C)C(=O)OCC 7a_100000751109_100000070051 [0,2,0,0,0,0|0,0,2]=4 10334 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100000070051_100011216346 [0,2,0,0,0,0|0,0,2]=4 10335 B11R0.155 CC=CCSC(C)C(=O)OCC 62a_100011216346_100000070051 [0,2,0,0,0,0|0,0,2]=4 10336 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000070051_100000760018 [0,2,0,0,0,0|0,0,2]=4 10337 B11R0.155 CC=CCSC(F)C(=O)OCC 62a_100000760018_100000070051 [0,2,0,0,0,0|0,0,2]=4 10338 B11R0.155 CCC#CCC(=O)C(C)OCC 1458a_100000739345_100009813939 [0,2,0,0,0,0|0,0,2]=4 10339 B11R0.155 CCCC(=O)N(C)CCCCO 240690a_100000717598_100000211992 [0,2,0,0,0,0|2,0,0]=4 10340 B11R0.155 CCCC(=O)N(C)CCCOC 11a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 10341 B11R0.155 CCCC(=O)N(C)CCCOC 1626a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 10342 B11R0.155 CCCC(=O)N(C)CCCOC 240690a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 10343 B11R0.155 CCCC(=O)N(C)CCCOC 527a_100000224831_100000211992 [0,2,0,0,0,0|2,0,0]=4 10344 B11R0.155 CCCC(C)C(=O)CCCCF 1458a_100000210906_100000729493 [0,2,0,0,0,0|2,0,0]=4 10345 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000210906_100000210776 [0,2,0,0,0,0|2,0,0]=4 10346 B11R0.155 CCCC(C)C(=O)CCCCO 1458a_100000695505_100000766640 [0,2,0,0,0,0|2,0,0]=4 10347 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000210906_100000740836 [0,2,0,0,0,0|2,0,0]=4 10348 B11R0.155 CCCC(C)C(=O)CCCOC 1458a_100000741012_100000766640 [0,2,0,0,0,0|2,0,0]=4 10349 B11R0.155 CCCC(C)C(=O)CCCSC 1458a_100000173376_100000766640 [0,2,0,0,0,0|2,0,0]=4 10350 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000210906_100011215890 [0,2,0,0,0,0|2,0,0]=4 10351 B11R0.155 CCCC(C)C(=O)CCOCC 1458a_100000749530_100000766640 [0,2,0,0,0,0|2,0,0]=4 10352 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000210906_100000757381 [0,2,0,0,0,0|2,0,0]=4 10353 B11R0.155 CCCC(C)C(=O)CCSCC 1458a_100000230768_100000766640 [0,2,0,0,0,0|2,0,0]=4 10354 B11R0.155 CCCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210326 [0,2,0,0,0,0|2,0,0]=4 10355 B11R0.155 CCCCCC(=O)C(=O)NCC 1458a_200011297158_100000210326 [0,2,0,0,0,0|1,0,0]=3 10356 B11R0.155 CCCCCC(=O)C(C)CC#N 1458a_100000212188_100009813641 [0,2,0,0,0,0|1,0,1]=4 10357 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000210906_100000210326 [0,2,0,0,0,0|1,0,0]=3 10358 B11R0.155 CCCCCC(=O)C(C)CCC 1458a_100000212188_100000766640 [0,2,0,0,0,0|1,0,0]=3 10359 B11R0.155 CCCCCC(=O)C(C)CCO 1458a_100000212188_100009893172 [0,2,0,0,0,0|1,0,0]=3 10360 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000212188_100000765312 [0,2,0,0,0,0|1,0,0]=3 10361 B11R0.155 CCCCCC(=O)C(C)COC 1458a_100000751857_100000210326 [0,2,0,0,0,0|1,0,0]=3 10362 B11R0.155 CCCCCC(=O)C(C)CSC 1458a_100000753918_100000210326 [0,2,0,0,0,0|1,0,0]=3 10363 B11R0.155 CCCCCC(=O)C(C)OCC 1458a_100000739345_100000210326 [0,2,0,0,0,0|0,0,0]=2 10364 B11R0.155 CCCCCC(=O)C(C)SCC 1458a_100000230601_100000210326 [0,2,0,0,0,0|0,1,0]=3 10365 B11R0.155 CCCCCC(=O)N(C)CC#N 11a_100000748184_100000212188 [0,2,0,0,0,0|1,0,1]=4 10366 B11R0.155 CCCCCC(=O)N(C)CC#N 1626a_100000748184_100000212188 [0,2,0,0,0,0|1,0,1]=4 10367 B11R0.155 CCCCCC(=O)N(C)CCC 11a_100000747261_100000212188 [0,2,0,0,0,0|1,0,0]=3 10368 B11R0.155 CCCCCC(=O)N(C)CCC 1626a_100000747261_100000212188 [0,2,0,0,0,0|1,0,0]=3 10369 B11R0.155 CCCCCC(=O)N(C)CCC 240690a_100000747261_100000212188 [0,2,0,0,0,0|1,0,0]=3 10370 B11R0.155 CCCCCC(=O)N(C)CCC 527a_100000747261_100000212188 [0,2,0,0,0,0|1,0,0]=3 10371 B11R0.155 CCCCCC(=O)N(C)CCO 240690a_100000210263_100000212188 [0,2,0,0,0,0|1,0,0]=3 10372 B11R0.155 CCCCCC(=O)N(C)CCO 527a_100000210263_100000212188 [0,2,0,0,0,0|1,0,0]=3 10373 B11R0.155 CCCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210326 [0,2,0,0,0,0|1,0,0]=3 10374 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100000211992_200011218191 [0,2,0,0,0,0|1,0,0]=3 10375 B11R0.155 CCCCCC(C)C(=O)CCC 1458a_100011215998_100000210303 [0,2,0,0,0,0|1,0,0]=3 10376 B11R0.155 CCCCCC(C)C(=O)CCF 1458a_100011215998_100011217306 [0,2,0,0,0,0|2,0,0]=4 10377 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011215998_100000211926 [0,2,0,0,0,0|2,0,0]=4 10378 B11R0.155 CCCCCC(C)C(=O)CCO 1458a_100011216618_200011218191 [0,2,0,0,0,0|2,0,0]=4 10379 B11R0.155 CCCCCC(C)C(=O)COC 1458a_100000210968_200011218191 [0,2,0,0,0,0|2,0,0]=4 10380 B11R0.155 CCCCCC(C)C(=O)CSC 1458a_100000184570_200011218191 [0,2,0,0,0,0|2,0,0]=4 10381 B11R0.155 CCCCCC(C)C(=O)NCC 11a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 10382 B11R0.155 CCCCCC(C)C(=O)NCC 240690a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 10383 B11R0.155 CCCCCC(C)C(=O)NCC 527a_100015525214_100011215998 [0,2,0,0,0,0|1,0,0]=3 10384 B11R0.155 CCCCCC(C)C(=O)NNC 22a_100016993582_100011215998 [0,2,0,0,0,0|2,0,0]=4 10385 B11R0.155 CCCCCN(C)C(=O)CCC 11a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 10386 B11R0.155 CCCCCN(C)C(=O)CCC 1626a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 10387 B11R0.155 CCCCCN(C)C(=O)CCC 240690a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 10388 B11R0.155 CCCCCN(C)C(=O)CCC 527a_100000223495_100000211992 [0,2,0,0,0,0|1,0,0]=3 10389 B11R0.155 CCCCCN(C)C(=O)CCO 240690a_100000223495_100011216618 [0,2,0,0,0,0|2,0,0]=4 10390 B11R0.155 CCCCCN(C)C(=O)COC 11a_100000223495_100000210968 [0,2,0,0,0,0|2,0,0]=4 10391 B11R0.155 CCCCCN(C)C(=O)COC 1626a_100000223495_100000210968 [0,2,0,0,0,0|2,0,0]=4 10392 B11R0.155 CCCCCN(C)C(=O)COC 240690a_100000223495_100000210968 [0,2,0,0,0,0|2,0,0]=4 10393 B11R0.155 CCCCCN(C)C(=O)COC 527a_100000223495_100000210968 [0,2,0,0,0,0|2,0,0]=4 10394 B11R0.155 CCCCCN(C)C(=O)CSC 11a_100000223495_100000184570 [0,2,0,0,0,0|2,0,0]=4 10395 B11R0.155 CCCCCN(C)C(=O)CSC 1626a_100000223495_100000184570 [0,2,0,0,0,0|2,0,0]=4 10396 B11R0.155 CCCCCN(C)C(=O)CSC 240690a_100000223495_100000184570 [0,2,0,0,0,0|2,0,0]=4 10397 B11R0.155 CCCCCN(C)C(=O)CSC 527a_100000223495_100000184570 [0,2,0,0,0,0|2,0,0]=4 10398 B11R0.155 CCCCCN(C)C(=O)NCC 2708a_100015525214_100000223495 [0,2,0,0,0,0|1,0,0]=3 10399 B11R0.155 CCCCCN(C)C(=O)NCC 273464a_100015525214_100000223495 [0,2,0,0,0,0|1,0,0]=3 10400 B11R0.155 CCCCNC(=O)C(=O)NCC 1626a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 10401 B11R0.155 CCCCNC(=O)C(=O)NCC 240690a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 10402 B11R0.155 CCCCNC(=O)C(=O)NCC 527a_100000102301_200011297158 [0,2,0,0,0,0|1,0,1]=4 10403 B11R0.155 CCCCNC(=O)C(=O)OCC 11a_100000102301_100014798877 [0,2,0,0,0,0|0,0,1]=3 10404 B11R0.155 CCCCNC(=O)C(=O)OCC 1626a_100000102301_100014798877 [0,2,0,0,0,0|0,0,1]=3 10405 B11R0.155 CCCCNC(=O)C(=O)OCC 240690a_100000102301_100014798877 [0,2,0,0,0,0|0,0,1]=3 10406 B11R0.155 CCCCNC(=O)C(C)CCC 11a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 10407 B11R0.155 CCCCNC(=O)C(C)CCC 1626a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 10408 B11R0.155 CCCCNC(=O)C(C)CCC 240690a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 10409 B11R0.155 CCCCNC(=O)C(C)CCC 527a_100000102301_100000210906 [0,2,0,0,0,0|2,0,0]=4 10410 B11R0.155 CCCCNC(=O)C(C)COC 11a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 10411 B11R0.155 CCCCNC(=O)C(C)COC 1626a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 10412 B11R0.155 CCCCNC(=O)C(C)COC 240690a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 10413 B11R0.155 CCCCNC(=O)C(C)COC 527a_100000102301_100000751857 [0,2,0,0,0,0|2,0,0]=4 10414 B11R0.155 CCCCNC(=O)C(C)CSC 11a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 10415 B11R0.155 CCCCNC(=O)C(C)CSC 1626a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 10416 B11R0.155 CCCCNC(=O)C(C)CSC 240690a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 10417 B11R0.155 CCCCNC(=O)C(C)CSC 527a_100000102301_100000753918 [0,2,0,0,0,0|2,0,0]=4 10418 B11R0.155 CCCCNC(=O)C(C)NCC 2230a_100015525214_100000735917 [0,2,0,0,0,0|2,0,0]=4 10419 B11R0.155 CCCCNC(=O)C(C)OCC 11a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 10420 B11R0.155 CCCCNC(=O)C(C)OCC 1626a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 10421 B11R0.155 CCCCNC(=O)C(C)OCC 240690a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 10422 B11R0.155 CCCCNC(=O)C(C)OCC 34a_100121572206_100000735917 [0,2,0,0,0,0|1,0,0]=3 10423 B11R0.155 CCCCNC(=O)C(C)OCC 527a_100000102301_100000739345 [0,2,0,0,0,0|1,0,0]=3 10424 B11R0.155 CCCCNC(=O)C(C)SCC 11a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 10425 B11R0.155 CCCCNC(=O)C(C)SCC 1626a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 10426 B11R0.155 CCCCNC(=O)C(C)SCC 240690a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 10427 B11R0.155 CCCCNC(=O)C(C)SCC 527a_100000102301_100000230601 [0,2,0,0,0,0|1,1,0]=4 10428 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000210202_100000735917 [0,2,0,0,0,0|1,1,0]=4 10429 B11R0.155 CCCCNC(=O)C(C)SCC 62a_100000735917_100000210202 [0,2,0,0,0,0|1,1,0]=4 10430 B11R0.155 CCCCNC(=O)N(C)CCC 2708a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 10431 B11R0.155 CCCCNC(=O)N(C)CCC 273464a_100000102301_100000747261 [0,2,0,0,0,0|2,0,0]=4 10432 B11R0.155 CCCCNC(=O)N(C)CCO 2708a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 10433 B11R0.155 CCCCNC(=O)N(C)CCO 273464a_100000102301_100000210263 [0,2,0,0,0,0|2,0,0]=4 10434 B11R0.155 CCCCNC(=O)[C@@H](O)CCC 240690a_100000102301_100009822183 [0,2,0,0,0,0|2,0,0]=4 10435 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000102301_100000230173 [0,2,0,0,0,0|1,0,0]=3 10436 B11R0.155 CCCCNC(C)C(=O)NCC 2230a_100000736553_100000210211 [0,2,0,0,0,0|1,0,0]=3 10437 B11R0.155 CCCCNC(C)C(=O)NCC 34a_100000736553_100000210210 [0,2,0,0,0,0|1,0,0]=3 10438 B11R0.155 CCCCNC(C)C(=O)NCC 7a_106832991798_100000230173 [0,2,0,0,0,0|1,0,0]=3 10439 B11R0.155 CCCCNC(C)C(=O)OCC 2230a_100000102301_100011215307 [0,2,0,0,0,0|0,0,0]=2 10440 B11R0.155 CCCCNC(C)C(=O)OCC 7a_106832991798_100011216346 [0,2,0,0,0,0|0,0,0]=2 10441 B11R0.155 CCCCNC(F)C(=O)OCC 2230a_100000102301_100000760018 [0,2,0,0,0,0|0,0,0]=2 10442 B11R0.155 CCCCNC(F)C(=O)OCC 7a_106832991798_100000040065 [0,2,0,0,0,0|0,0,0]=2 10443 B11R0.155 CCCCN[C@@H](C)C(=O)SCC 2230a_100103168634_100000210211 [0,2,0,0,0,0|0,1,0]=3 10444 B11R0.155 CCCCOC(=O)C(C)NCC 2230a_100015525214_100000759602 [0,2,0,0,0,0|2,0,0]=4 10445 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100000038973_100000210202 [0,2,0,0,0,0|1,0,0]=3 10446 B11R0.155 CCCCOC(=O)C(C)OCC 34a_100121572206_100000759602 [0,2,0,0,0,0|1,0,0]=3 10447 B11R0.155 CCCCOC(=O)C(C)OCC 7a_100000038973_100000210202 [0,2,0,0,0,0|1,0,0]=3 10448 B11R0.155 CCCCOC(=O)C(C)OCF 34a_100000038973_100015361967 [0,2,0,0,0,0|2,0,0]=4 10449 B11R0.155 CCCCOC(=O)C(C)OCF 7a_100000038973_100015361967 [0,2,0,0,0,0|2,0,0]=4 10450 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000210202_100000759602 [0,2,0,0,0,0|1,1,0]=4 10451 B11R0.155 CCCCOC(=O)C(C)SCC 62a_100000759602_100000210202 [0,2,0,0,0,0|1,1,0]=4 10452 B11R0.155 CCCCOC(C)C(=O)NCC 34a_100000210227_100000230173 [0,2,0,0,0,0|1,0,0]=3 10453 B11R0.155 CCCCOC(C)C(=O)NCC 7a_100000210227_100000230173 [0,2,0,0,0,0|1,0,0]=3 10454 B11R0.155 CCCCOC(C)C(=O)OCC 34a_100000210227_100011216346 [0,2,0,0,0,0|0,0,0]=2 10455 B11R0.155 CCCCOC(C)C(=O)OCC 7a_100000210227_100011216346 [0,2,0,0,0,0|0,0,0]=2 10456 B11R0.155 CCCCOC(F)C(=O)OCC 34a_100000210227_100000760018 [0,2,0,0,0,0|0,0,0]=2 10457 B11R0.155 CCCCOC(F)C(=O)OCC 7a_100000210227_100000040065 [0,2,0,0,0,0|0,0,0]=2 10458 B11R0.155 CCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100000210211 [0,2,0,0,0,0|0,0,0]=2 10459 B11R0.155 CCCCSC(C)C(=O)CCC 1458a_100000191163_100000210303 [0,2,0,0,0,0|1,0,0]=3 10460 B11R0.155 CCCCSC(C)C(=O)CCF 1458a_100000191163_100011217306 [0,2,0,0,0,0|2,0,0]=4 10461 B11R0.155 CCCCSC(C)C(=O)CCO 1458a_100000191163_100000211926 [0,2,0,0,0,0|2,0,0]=4 10462 B11R0.155 CCCCSC(C)C(=O)NCC 11a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 10463 B11R0.155 CCCCSC(C)C(=O)NCC 240690a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 10464 B11R0.155 CCCCSC(C)C(=O)NCC 527a_100015525214_100000191163 [0,2,0,0,0,0|1,0,0]=3 10465 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000210211_100000230173 [0,2,0,0,0,0|1,0,0]=3 10466 B11R0.155 CCCCSC(C)C(=O)NCC 62a_100000230173_100000210210 [0,2,0,0,0,0|1,0,0]=3 10467 B11R0.155 CCCCSC(C)C(=O)NNC 22a_100016993582_100000191163 [0,2,0,0,0,0|2,0,0]=4 10468 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100000210211_100011216346 [0,2,0,0,0,0|0,0,0]=2 10469 B11R0.155 CCCCSC(C)C(=O)OCC 62a_100011216346_100000210210 [0,2,0,0,0,0|0,0,0]=2 10470 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000210211_100000760018 [0,2,0,0,0,0|0,0,0]=2 10471 B11R0.155 CCCCSC(F)C(=O)OCC 62a_100000760018_100000210210 [0,2,0,0,0,0|0,0,0]=2 10472 B11R0.155 CCCN(C)C(=O)CCCCO 1626a_100000747261_100000695505 [0,2,0,0,0,0|2,0,0]=4 10473 B11R0.155 CCCN(C)C(=O)CCCOC 11a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 10474 B11R0.155 CCCN(C)C(=O)CCCOC 1626a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 10475 B11R0.155 CCCN(C)C(=O)CCCOC 240690a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 10476 B11R0.155 CCCN(C)C(=O)CCCOC 527a_100000747261_100000741012 [0,2,0,0,0,0|2,0,0]=4 10477 B11R0.155 CCCN(C)C(=O)CCCSC 11a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 10478 B11R0.155 CCCN(C)C(=O)CCCSC 1626a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 10479 B11R0.155 CCCN(C)C(=O)CCCSC 240690a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 10480 B11R0.155 CCCN(C)C(=O)CCCSC 527a_100000747261_100000173376 [0,2,0,0,0,0|2,0,0]=4 10481 B11R0.155 CCCN(C)C(=O)CCOCC 11a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 10482 B11R0.155 CCCN(C)C(=O)CCOCC 1626a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 10483 B11R0.155 CCCN(C)C(=O)CCOCC 240690a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 10484 B11R0.155 CCCN(C)C(=O)CCOCC 527a_100000747261_100000749530 [0,2,0,0,0,0|2,0,0]=4 10485 B11R0.155 CCCN(C)C(=O)CCSCC 11a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 10486 B11R0.155 CCCN(C)C(=O)CCSCC 1626a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 10487 B11R0.155 CCCN(C)C(=O)CCSCC 240690a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 10488 B11R0.155 CCCN(C)C(=O)CCSCC 527a_100000747261_100000230768 [0,2,0,0,0,0|2,0,0]=4 10489 B11R0.155 CCCNN=C(C)C(=O)OCC 4a_100000740057_100000209952 [0,2,0,0,0,0|1,0,1]=4 10490 B11R0.155 CCCNNC(=O)C(C)OCC 22a_100000740057_100000739345 [0,2,0,0,0,0|2,0,0]=4 10491 B11R0.155 CCCOCC(=O)C(C)CCC 1458a_100000745993_100000766640 [0,2,0,0,0,0|2,0,0]=4 10492 B11R0.155 CCCOCC(=O)C(C)CCO 1458a_100000745993_100009893172 [0,2,0,0,0,0|2,0,0]=4 10493 B11R0.155 CCCOCC(=O)C(C)COC 1458a_100000745993_100000765312 [0,2,0,0,0,0|2,0,0]=4 10494 B11R0.155 CCCOCC(=O)N(C)CCC 11a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 10495 B11R0.155 CCCOCC(=O)N(C)CCC 1626a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 10496 B11R0.155 CCCOCC(=O)N(C)CCC 240690a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 10497 B11R0.155 CCCOCC(=O)N(C)CCC 527a_100000747261_100000745993 [0,2,0,0,0,0|2,0,0]=4 10498 B11R0.155 CCCOCC(=O)N(C)CCO 240690a_100000210263_100000745993 [0,2,0,0,0,0|2,0,0]=4 10499 B11R0.155 CCCOCC(=O)N(C)CCO 527a_100000210263_100000745993 [0,2,0,0,0,0|2,0,0]=4 10500 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000210303_100000211299 [0,2,0,0,0,0|0,0,1]=3 10501 B11R0.155 CCCSCC(=O)C(=O)OCC 62a_100000211299_100000210303 [0,2,0,0,0,0|0,0,1]=3 10502 B11R0.155 CCCSCC(=O)C(C)CCC 1458a_100000217233_100000766640 [0,2,0,0,0,0|2,0,0]=4 10503 B11R0.155 CCCSCC(=O)C(C)CCO 1458a_100000217233_100009893172 [0,2,0,0,0,0|2,0,0]=4 10504 B11R0.155 CCCSCC(=O)C(C)COC 1458a_100000217233_100000765312 [0,2,0,0,0,0|2,0,0]=4 10505 B11R0.155 CCCSCC(=O)N(C)CCC 11a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 10506 B11R0.155 CCCSCC(=O)N(C)CCC 1626a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 10507 B11R0.155 CCCSCC(=O)N(C)CCC 240690a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 10508 B11R0.155 CCCSCC(=O)N(C)CCC 527a_100000747261_100000217233 [0,2,0,0,0,0|2,0,0]=4 10509 B11R0.155 CCCSCC(=O)N(C)CCO 240690a_100000210263_100000217233 [0,2,0,0,0,0|2,0,0]=4 10510 B11R0.155 CCCSCC(=O)N(C)CCO 527a_100000210263_100000217233 [0,2,0,0,0,0|2,0,0]=4 10511 B11R0.155 CCC[C@H](O)C(=O)CCCCF 1458a_100009822183_100000729493 [0,2,0,0,0,0|2,0,0]=4 10512 B11R0.155 CCC[C@H](O)C(=O)CCCCO 1458a_100009822183_100000210776 [0,2,0,0,0,0|2,0,0]=4 10513 B11R0.155 CCC[C@H](O)C(=O)CCCOC 1458a_100009822183_100000740836 [0,2,0,0,0,0|2,0,0]=4 10514 B11R0.155 CCC[C@H](O)C(=O)CCOCC 1458a_100009822183_100011215890 [0,2,0,0,0,0|2,0,0]=4 10515 B11R0.155 CCC[C@H](O)C(=O)CCSCC 1458a_100009822183_100000757381 [0,2,0,0,0,0|2,0,0]=4 10516 B11R0.155 CCNC(=O)C(=O)CCCCF 1458a_200011297158_100000729493 [0,2,0,0,0,0|1,0,1]=4 10517 B11R0.155 CCNC(=O)C(=O)CCCCO 1458a_200011297158_100000210776 [0,2,0,0,0,0|1,0,1]=4 10518 B11R0.155 CCNC(=O)C(=O)CCCOC 1458a_200011297158_100000740836 [0,2,0,0,0,0|1,0,1]=4 10519 B11R0.155 CCNC(=O)C(=O)CCOCC 1458a_200011297158_100011215890 [0,2,0,0,0,0|1,0,1]=4 10520 B11R0.155 CCNC(=O)C(=O)CCSCC 1458a_200011297158_100000757381 [0,2,0,0,0,0|1,0,1]=4 10521 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 10522 B11R0.155 CCNC(=O)C(C)NCCCF 2230a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 10523 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100000736553_100011934791 [0,2,0,0,0,0|2,0,0]=4 10524 B11R0.155 CCNC(=O)C(C)NCCCF 34a_100015189416_100000230173 [0,2,0,0,0,0|2,0,0]=4 10525 B11R0.155 CCNC(=O)C(C)NCCCO 2230a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 10526 B11R0.155 CCNC(=O)C(C)NCCCO 34a_100000736553_100000230001 [0,2,0,0,0,0|2,0,0]=4 10527 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000209980_100000230173 [0,2,0,0,0,0|2,0,0]=4 10528 B11R0.155 CCNC(=O)C(C)NCCOC 2230a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 10529 B11R0.155 CCNC(=O)C(C)NCCOC 34a_100000736553_100011201679 [0,2,0,0,0,0|2,0,0]=4 10530 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100000736553_100000751147 [0,2,0,0,0,0|2,0,0]=4 10531 B11R0.155 CCNC(=O)C(C)NCCSC 2230a_100020590264_100000230173 [0,2,0,0,0,0|2,0,0]=4 10532 B11R0.155 CCNC(=O)C(C)NCCSC 34a_100000736553_100000212216 [0,2,0,0,0,0|2,0,0]=4 10533 B11R0.155 CCNC(=O)C(C)OCCCBr 34a_100011217188_100000230173 [0,2,0,0,0,0|2,0,0]=4 10534 B11R0.155 CCNC(=O)C(C)OCCCCl 34a_100000230001_100000230173 [0,2,0,0,0,0|2,0,0]=4 10535 B11R0.155 CCNC(=O)C(C)OCCCF 34a_100000759539_100000230173 [0,2,0,0,0,0|2,0,0]=4 10536 B11R0.155 CCNC(=O)C(C)OCCCN 34a_100000182051_100000230173 [0,2,0,0,0,0|2,0,0]=4 10537 B11R0.155 CCNC(=O)C(C)OCCOC 34a_100000210237_100000230173 [0,2,0,0,0,0|2,0,0]=4 10538 B11R0.155 CCNC(=O)C(C)OCCSC 34a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 10539 B11R0.155 CCNC(=O)C(C)OCCSC 7a_100000230434_100000230173 [0,2,0,0,0,0|2,0,0]=4 10540 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100000230173_100011934791 [0,2,0,0,0,0|2,0,0]=4 10541 B11R0.155 CCNC(=O)C(C)SCCCF 62a_100011934791_100000230173 [0,2,0,0,0,0|2,0,0]=4 10542 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100000230173_100011215043 [0,2,0,0,0,0|2,0,0]=4 10543 B11R0.155 CCNC(=O)C(C)SCCCO 62a_100011215043_100000230173 [0,2,0,0,0,0|2,0,0]=4 10544 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000230173_100000233755 [0,2,0,0,0,0|2,0,0]=4 10545 B11R0.155 CCNC(=O)C(C)SCCOC 62a_100000233755_100000230173 [0,2,0,0,0,0|2,0,0]=4 10546 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000212216_100000230173 [0,2,0,0,0,0|2,0,0]=4 10547 B11R0.155 CCNC(=O)C(C)SCCSC 62a_100000230173_100000751147 [0,2,0,0,0,0|2,0,0]=4 10548 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000230173_100000739092 [0,2,0,0,0,0|2,0,0]=4 10549 B11R0.155 CCNC(=O)C(C)SCOCC 62a_100000739092_100000230173 [0,2,0,0,0,0|2,0,0]=4 10550 B11R0.155 CCNC(=O)N(C)CCCCO 2708a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 10551 B11R0.155 CCNC(=O)N(C)CCCCO 273464a_100015525214_100000717598 [0,2,0,0,0,0|2,0,0]=4 10552 B11R0.155 CCNC(=O)N(C)CCCOC 2708a_100015525214_100000224831 [0,2,0,0,0,0|2,0,0]=4 10553 B11R0.155 CCNC(=O)N(C)CCCOC 273464a_100015525214_100000224831 [0,2,0,0,0,0|2,0,0]=4 10554 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100000211299_100011217306 [0,2,0,0,0,0|1,0,1]=4 10555 B11R0.155 CCOC(=O)C(=O)CSCCF 62a_100011217306_100000211299 [0,2,0,0,0,0|1,0,1]=4 10556 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211299_100000211926 [0,2,0,0,0,0|1,0,1]=4 10557 B11R0.155 CCOC(=O)C(=O)CSCCO 62a_100000211926_100000211299 [0,2,0,0,0,0|1,0,1]=4 10558 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000211299_100000766300 [0,2,0,0,0,0|1,0,1]=4 10559 B11R0.155 CCOC(=O)C(=O)CSCOC 62a_100000766300_100000211299 [0,2,0,0,0,0|1,0,1]=4 10560 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100000211299_100011218213 [0,2,0,0,0,0|1,0,1]=4 10561 B11R0.155 CCOC(=O)C(=O)CSCSC 62a_100011218213_100000211299 [0,2,0,0,0,0|1,0,1]=4 10562 B11R0.155 CCOC(=O)C(=O)NCCCF 11a_100015189416_100014798877 [0,2,0,0,0,0|1,0,1]=4 10563 B11R0.155 CCOC(=O)C(=O)NCCCF 1626a_100015189416_100014798877 [0,2,0,0,0,0|1,0,1]=4 10564 B11R0.155 CCOC(=O)C(=O)NCCCF 240690a_100015189416_100014798877 [0,2,0,0,0,0|1,0,1]=4 10565 B11R0.155 CCOC(=O)C(=O)NCCCO 240690a_100000182051_100014798877 [0,2,0,0,0,0|1,0,1]=4 10566 B11R0.155 CCOC(=O)C(=O)NCCOC 1626a_100000209980_100014798877 [0,2,0,0,0,0|1,0,1]=4 10567 B11R0.155 CCOC(=O)C(=O)NCCOC 240690a_100000209980_100014798877 [0,2,0,0,0,0|1,0,1]=4 10568 B11R0.155 CCOC(=O)C(=O)NCCSC 11a_100020590264_100014798877 [0,2,0,0,0,0|1,0,1]=4 10569 B11R0.155 CCOC(=O)C(=O)NCCSC 1626a_100020590264_100014798877 [0,2,0,0,0,0|1,0,1]=4 10570 B11R0.155 CCOC(=O)C(=O)NCCSC 240690a_100020590264_100014798877 [0,2,0,0,0,0|1,0,1]=4 10571 B11R0.155 CCOC(=O)C(C)NCCCF 2230a_100015189416_100011215307 [0,2,0,0,0,0|1,0,0]=3 10572 B11R0.155 CCOC(=O)C(C)NCCCF 34a_100015189416_100011216346 [0,2,0,0,0,0|1,0,0]=3 10573 B11R0.155 CCOC(=O)C(C)NCCOC 2230a_100000209980_100011215307 [0,2,0,0,0,0|1,0,0]=3 10574 B11R0.155 CCOC(=O)C(C)NCCSC 2230a_100020590264_100011215307 [0,2,0,0,0,0|1,0,0]=3 10575 B11R0.155 CCOC(=O)C(C)OCCCBr 34a_100011217188_100011216346 [0,2,0,0,0,0|1,0,0]=3 10576 B11R0.155 CCOC(=O)C(C)OCCCCl 34a_100000230001_100011216346 [0,2,0,0,0,0|1,0,0]=3 10577 B11R0.155 CCOC(=O)C(C)OCCCF 34a_100000759539_100011216346 [0,2,0,0,0,0|1,0,0]=3 10578 B11R0.155 CCOC(=O)C(C)OCCCN 34a_100000182051_100011216346 [0,2,0,0,0,0|1,0,0]=3 10579 B11R0.155 CCOC(=O)C(C)OCCOC 34a_100000210237_100011216346 [0,2,0,0,0,0|1,0,0]=3 10580 B11R0.155 CCOC(=O)C(C)OCCON 34a_100000700252_100011216346 [0,2,0,0,0,0|2,0,0]=4 10581 B11R0.155 CCOC(=O)C(C)OCCSC 34a_100000230434_100011216346 [0,2,0,0,0,0|1,0,0]=3 10582 B11R0.155 CCOC(=O)C(C)OCCSC 7a_100000230434_100011216346 [0,2,0,0,0,0|1,0,0]=3 10583 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011215226_100011216346 [0,2,0,0,0,0|1,0,1]=4 10584 B11R0.155 CCOC(=O)C(C)SCCC#N 62a_100011216346_100011215226 [0,2,0,0,0,0|1,0,1]=4 10585 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011216346_100011934791 [0,2,0,0,0,0|1,0,0]=3 10586 B11R0.155 CCOC(=O)C(C)SCCCF 62a_100011934791_100011216346 [0,2,0,0,0,0|1,0,0]=3 10587 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011215043_100011216346 [0,2,0,0,0,0|1,0,0]=3 10588 B11R0.155 CCOC(=O)C(C)SCCCO 62a_100011216346_100011215043 [0,2,0,0,0,0|1,0,0]=3 10589 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100000233755_100011216346 [0,2,0,0,0,0|1,0,0]=3 10590 B11R0.155 CCOC(=O)C(C)SCCOC 62a_100011216346_100000233755 [0,2,0,0,0,0|1,0,0]=3 10591 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100000212216_100011216346 [0,2,0,0,0,0|1,0,0]=3 10592 B11R0.155 CCOC(=O)C(C)SCCSC 62a_100011216346_100000751147 [0,2,0,0,0,0|1,0,0]=3 10593 B11R0.155 CCOC(=O)C(F)NCCCF 2230a_100015189416_100000760018 [0,2,0,0,0,0|1,0,0]=3 10594 B11R0.155 CCOC(=O)C(F)NCCCF 34a_100015189416_100000760018 [0,2,0,0,0,0|1,0,0]=3 10595 B11R0.155 CCOC(=O)C(F)NCCOC 2230a_100000209980_100000760018 [0,2,0,0,0,0|1,0,0]=3 10596 B11R0.155 CCOC(=O)C(F)NCCSC 2230a_100020590264_100000760018 [0,2,0,0,0,0|1,0,0]=3 10597 B11R0.155 CCOC(=O)C(F)OCCCBr 34a_100011217188_100000760018 [0,2,0,0,0,0|1,0,0]=3 10598 B11R0.155 CCOC(=O)C(F)OCCCCl 34a_100000230001_100000760018 [0,2,0,0,0,0|1,0,0]=3 10599 B11R0.155 CCOC(=O)C(F)OCCCF 34a_100000759539_100000760018 [0,2,0,0,0,0|1,0,0]=3 10600 B11R0.155 CCOC(=O)C(F)OCCCN 34a_100000182051_100000760018 [0,2,0,0,0,0|1,0,0]=3 10601 B11R0.155 CCOC(=O)C(F)OCCOC 34a_100000210237_100000760018 [0,2,0,0,0,0|1,0,0]=3 10602 B11R0.155 CCOC(=O)C(F)OCCON 34a_100000700252_100000760018 [0,2,0,0,0,0|2,0,0]=4 10603 B11R0.155 CCOC(=O)C(F)OCCSC 34a_100000230434_100000760018 [0,2,0,0,0,0|1,0,0]=3 10604 B11R0.155 CCOC(=O)C(F)OCCSC 7a_100000230434_100000040065 [0,2,0,0,0,0|1,0,0]=3 10605 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100000760018_100011215226 [0,2,0,0,0,0|1,0,1]=4 10606 B11R0.155 CCOC(=O)C(F)SCCC#N 62a_100011215226_100000760018 [0,2,0,0,0,0|1,0,1]=4 10607 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100000760018_100011934791 [0,2,0,0,0,0|1,0,0]=3 10608 B11R0.155 CCOC(=O)C(F)SCCCF 62a_100011934791_100000760018 [0,2,0,0,0,0|1,0,0]=3 10609 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100000760018_100011215043 [0,2,0,0,0,0|1,0,0]=3 10610 B11R0.155 CCOC(=O)C(F)SCCCO 62a_100011215043_100000760018 [0,2,0,0,0,0|1,0,0]=3 10611 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000233755_100000760018 [0,2,0,0,0,0|1,0,0]=3 10612 B11R0.155 CCOC(=O)C(F)SCCOC 62a_100000760018_100000233755 [0,2,0,0,0,0|1,0,0]=3 10613 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000212216_100000760018 [0,2,0,0,0,0|1,0,0]=3 10614 B11R0.155 CCOC(=O)C(F)SCCSC 62a_100000760018_100000751147 [0,2,0,0,0,0|1,0,0]=3 10615 B11R0.155 CCOC(=O)[C@H](C)OCCC#N 7a_100000751109_100000184422 [0,2,0,0,0,0|1,0,1]=4 10616 B11R0.155 CCOC(=O)[C@H](C)OCCCF 7a_100000751109_100011934791 [0,2,0,0,0,0|1,0,0]=3 10617 B11R0.155 CCOC(=O)[C@H](C)OCCCO 7a_100000751109_100011215043 [0,2,0,0,0,0|1,0,0]=3 10618 B11R0.155 CCOC(=O)[C@H](C)OCCOC 7a_100000751109_100000233755 [0,2,0,0,0,0|1,0,0]=3 10619 B11R0.155 CCOC(=O)[C@H](C)OCCSC 7a_100000751109_100000212216 [0,2,0,0,0,0|1,0,0]=3 10620 B11R0.155 CCOC(C)C(=O)CCCC#N 1458a_100000739345_100000211468 [0,2,0,0,0,0|1,0,1]=4 10621 B11R0.155 CCOC(C)C(=O)CCCCF 1458a_100000739345_100000729493 [0,2,0,0,0,0|1,0,0]=3 10622 B11R0.155 CCOC(C)C(=O)CCCCO 1458a_100000739345_100000210776 [0,2,0,0,0,0|1,0,0]=3 10623 B11R0.155 CCOC(C)C(=O)CCCOC 1458a_100000739345_100000740836 [0,2,0,0,0,0|1,0,0]=3 10624 B11R0.155 CCOC(C)C(=O)CCSCC 1458a_100000739345_100000757381 [0,2,0,0,0,0|1,0,0]=3 10625 B11R0.155 CCOC(C)C(=O)NCCCF 11a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 10626 B11R0.155 CCOC(C)C(=O)NCCCF 1626a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 10627 B11R0.155 CCOC(C)C(=O)NCCCF 240690a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 10628 B11R0.155 CCOC(C)C(=O)NCCCF 527a_100015189416_100000739345 [0,2,0,0,0,0|2,0,0]=4 10629 B11R0.155 CCOC(C)C(=O)NCCCO 240690a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 10630 B11R0.155 CCOC(C)C(=O)NCCCO 527a_100000182051_100000739345 [0,2,0,0,0,0|2,0,0]=4 10631 B11R0.155 CCOC(C)C(=O)NCCOC 1626a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 10632 B11R0.155 CCOC(C)C(=O)NCCOC 240690a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 10633 B11R0.155 CCOC(C)C(=O)NCCOC 527a_100000209980_100000739345 [0,2,0,0,0,0|2,0,0]=4 10634 B11R0.155 CCOC(C)C(=O)NCCSC 11a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 10635 B11R0.155 CCOC(C)C(=O)NCCSC 1626a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 10636 B11R0.155 CCOC(C)C(=O)NCCSC 240690a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 10637 B11R0.155 CCOC(C)C(=O)NCCSC 527a_100020590264_100000739345 [0,2,0,0,0,0|2,0,0]=4 10638 B11R0.155 CCOCCC(=O)C(C)CCO 1458a_100000749530_100009893172 [0,2,0,0,0,0|2,0,0]=4 10639 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000749530_100000765312 [0,2,0,0,0,0|2,0,0]=4 10640 B11R0.155 CCOCCC(=O)C(C)COC 1458a_100000751857_100011215890 [0,2,0,0,0,0|2,0,0]=4 10641 B11R0.155 CCOCCC(=O)C(C)CSC 1458a_100000753918_100011215890 [0,2,0,0,0,0|2,0,0]=4 10642 B11R0.155 CCOCCC(=O)C(C)OCC 1458a_100000739345_100011215890 [0,2,0,0,0,0|1,0,0]=3 10643 B11R0.155 CCOCCC(=O)C(C)SCC 1458a_100000230601_100011215890 [0,2,0,0,0,0|1,1,0]=4 10644 B11R0.155 CCOCCC(=O)N(C)CCO 240690a_100000210263_100000749530 [0,2,0,0,0,0|2,0,0]=4 10645 B11R0.155 CCOCCC(=O)N(C)CCO 527a_100000210263_100000749530 [0,2,0,0,0,0|2,0,0]=4 10646 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100000739092_100011216346 [0,2,0,0,0,0|1,0,0]=3 10647 B11R0.155 CCOCSC(C)C(=O)OCC 62a_100011216346_100000739092 [0,2,0,0,0,0|1,0,0]=3 10648 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000739092_100000760018 [0,2,0,0,0,0|1,0,0]=3 10649 B11R0.155 CCOCSC(F)C(=O)OCC 62a_100000760018_100000739092 [0,2,0,0,0,0|1,0,0]=3 10650 B11R0.155 CCSC(=O)[C@H](C)NCCCF 2230a_100103168634_100011934791 [0,2,0,0,0,0|1,1,0]=4 10651 B11R0.155 CCSC(=O)[C@H](C)NCCCO 2230a_100103168634_100000230001 [0,2,0,0,0,0|1,1,0]=4 10652 B11R0.155 CCSC(=O)[C@H](C)NCCOC 2230a_100103168634_100011201679 [0,2,0,0,0,0|1,1,0]=4 10653 B11R0.155 CCSC(=O)[C@H](C)NCCSC 2230a_100103168634_100000751147 [0,2,0,0,0,0|1,1,0]=4 10654 B11R0.155 CCSC(C)C(=O)CCCCF 1458a_100000230601_100000729493 [0,2,0,0,0,0|1,1,0]=4 10655 B11R0.155 CCSC(C)C(=O)CCCCO 1458a_100000230601_100000210776 [0,2,0,0,0,0|1,1,0]=4 10656 B11R0.155 CCSC(C)C(=O)CCCOC 1458a_100000230601_100000740836 [0,2,0,0,0,0|1,1,0]=4 10657 B11R0.155 CCSCCC(=O)C(C)CCO 1458a_100000230768_100009893172 [0,2,0,0,0,0|2,0,0]=4 10658 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000230768_100000765312 [0,2,0,0,0,0|2,0,0]=4 10659 B11R0.155 CCSCCC(=O)C(C)COC 1458a_100000751857_100000757381 [0,2,0,0,0,0|2,0,0]=4 10660 B11R0.155 CCSCCC(=O)C(C)CSC 1458a_100000753918_100000757381 [0,2,0,0,0,0|2,0,0]=4 10661 B11R0.155 CCSCCC(=O)C(C)SCC 1458a_100000230601_100000757381 [0,2,0,0,0,0|1,1,0]=4 10662 B11R0.155 CCSCCC(=O)N(C)CCO 240690a_100000210263_100000230768 [0,2,0,0,0,0|2,0,0]=4 10663 B11R0.155 CCSCCC(=O)N(C)CCO 527a_100000210263_100000230768 [0,2,0,0,0,0|2,0,0]=4 10664 B11R0.155 COCC(C)C(=O)CCCCF 1458a_100000751857_100000729493 [0,2,0,0,0,0|2,0,0]=4 10665 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000695505_100000765312 [0,2,0,0,0,0|2,0,0]=4 10666 B11R0.155 COCC(C)C(=O)CCCCO 1458a_100000751857_100000210776 [0,2,0,0,0,0|2,0,0]=4 10667 B11R0.155 COCC(C)C(=O)CCCSC 1458a_100000173376_100000765312 [0,2,0,0,0,0|2,0,0]=4 10668 B11R0.155 COCCCC(=O)C(C)CCO 1458a_100000741012_100009893172 [0,2,0,0,0,0|2,0,0]=4 10669 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000741012_100000765312 [0,2,0,0,0,0|2,0,0]=4 10670 B11R0.155 COCCCC(=O)C(C)COC 1458a_100000751857_100000740836 [0,2,0,0,0,0|2,0,0]=4 10671 B11R0.155 COCCCC(=O)C(C)CSC 1458a_100000753918_100000740836 [0,2,0,0,0,0|2,0,0]=4 10672 B11R0.155 COCCCC(=O)N(C)CCO 240690a_100000210263_100000741012 [0,2,0,0,0,0|2,0,0]=4 10673 B11R0.155 COCCCC(=O)N(C)CCO 527a_100000210263_100000741012 [0,2,0,0,0,0|2,0,0]=4 10674 B11R0.155 CSCC(C)C(=O)CCCCF 1458a_100000753918_100000729493 [0,2,0,0,0,0|2,0,0]=4 10675 B11R0.155 CSCC(C)C(=O)CCCCO 1458a_100000753918_100000210776 [0,2,0,0,0,0|2,0,0]=4 10676 B11R0.155 CSCCCC(=O)C(C)CCO 1458a_100000173376_100009893172 [0,2,0,0,0,0|2,0,0]=4 10677 B11R0.155 CSCCCC(=O)N(C)CCO 240690a_100000210263_100000173376 [0,2,0,0,0,0|2,0,0]=4 10678 B11R0.155 CSCCCC(=O)N(C)CCO 527a_100000210263_100000173376 [0,2,0,0,0,0|2,0,0]=4 10679 B11R0.161 C#CC(CCCCCBr)OCC 34a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 10680 B11R0.161 C#CC(CCCCCBr)OCC 7a_200010408556_100000210202 [0,2,0,0,0,0|1,0,1]=4 10681 B11R0.161 C=CC(CCCCCC)OCC 34a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 10682 B11R0.161 C=CC(CCCCCC)OCC 7a_200011215977_100000210202 [0,2,0,0,0,0|1,0,1]=4 10683 B11R0.161 CCCCCCC(CC)OCC 34a_100011215785_100000210202 [0,2,0,0,0,0|1,0,1]=4 10684 B11R0.161 CCCCCCC(CC)OCC 7a_100011215785_100000210202 [0,2,0,0,0,0|1,0,1]=4 10685 B11R0.161 CCCCNCC(CC)OCC 2230a_100015183923_100000210211 [0,2,0,0,0,0|1,0,1]=4 10686 B11R0.161 CCCCNCC(CC)OCC 34a_100015183923_100000210210 [0,2,0,0,0,0|1,0,1]=4 10687 B11R0.174 C#CC(=O)CCCC(=O)OCC 1458a_100000211873_100011215271 [0,2,0,0,0,0|0,0,2]=4 10688 B11R0.174 C#CC(C)NCCC(=O)NCC 2230a_100000707721_100000737597 [0,2,0,0,0,0|2,0,0]=4 10689 B11R0.174 C#CC(C)NCCC(=O)NCC 34a_100025743525_200000035995 [0,2,0,0,0,0|2,0,0]=4 10690 B11R0.174 C#CC(C)NCCC(=O)OCC 2230a_100000707721_100011206558 [0,2,0,0,0,0|1,0,0]=3 10691 B11R0.174 C#CC(C)NCCC(=O)OCC 34a_100000707721_100000765890 [0,2,0,0,0,0|1,0,0]=3 10692 B11R0.174 C#CC(C)SCCC(=O)NCC 62a_200000035995_100000737597 [0,2,0,0,0,0|2,0,0]=4 10693 B11R0.174 C#CC(C)SCCC(=O)OCC 62a_200000035995_100000765890 [0,2,0,0,0,0|1,0,0]=3 10694 B11R0.174 C#CC(C)SCOC(=O)OCC 62a_200000035995_100000075025 [0,2,0,0,0,0|2,0,0]=4 10695 B11R0.174 C#C[C@@H](C)OCCC(=O)NCC 7a_100009815206_100000737597 [0,2,0,0,0,0|2,0,0]=4 10696 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 34a_100009815206_100000765890 [0,2,0,0,0,0|1,0,0]=3 10697 B11R0.174 C#C[C@@H](C)OCCC(=O)OCC 7a_100009815206_100011206558 [0,2,0,0,0,0|1,0,0]=3 10698 B11R0.174 C=CC(=O)CCCC(=O)OCC 1458a_100000185746_100011215271 [0,2,0,0,0,0|0,0,2]=4 10699 B11R0.174 C=CC(C)COCC(=O)CCC 7a_100011215527_100000747444 [0,2,0,0,0,0|2,0,0]=4 10700 B11R0.174 C=CC(C)COCC(=O)NCC 34a_100011215527_100000183381 [0,2,0,0,0,0|2,0,0]=4 10701 B11R0.174 C=CC(C)COCC(=O)NCC 7a_100011215527_100000183381 [0,2,0,0,0,0|2,0,0]=4 10702 B11R0.174 C=CC(C)COCC(=O)OCC 34a_100011215527_100000188475 [0,2,0,0,0,0|1,0,0]=3 10703 B11R0.174 C=CC(C)COCC(=O)OCC 7a_100011215527_100000188475 [0,2,0,0,0,0|1,0,0]=3 10704 B11R0.174 C=CC(C)OCCC(=O)OCC 34a_100000695699_100000765890 [0,2,0,0,0,0|1,0,0]=3 10705 B11R0.174 C=CC(C)SCCC(=O)NCC 62a_100011215867_100000737597 [0,2,0,0,0,0|2,0,0]=4 10706 B11R0.174 C=CC(C)SCCC(=O)OCC 62a_100011215867_100000765890 [0,2,0,0,0,0|1,0,0]=3 10707 B11R0.174 C=CC(C)SCOC(=O)OCC 62a_100011215867_100000075025 [0,2,0,0,0,0|2,0,0]=4 10708 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000188475_100000730141 [0,2,0,0,0,0|0,0,2]=4 10709 B11R0.174 C=CC(O)CSCC(=O)OCC 62a_100000730141_100000188475 [0,2,0,0,0,0|0,0,2]=4 10710 B11R0.174 C=COC(=O)CNCC(C)CC 2230a_100020588543_100000036128 [0,2,0,0,0,0|0,0,2]=4 10711 B11R0.174 C=COC(=O)CNCC(O)CC 2230a_100011218483_100000036128 [0,2,0,0,0,0|0,0,2]=4 10712 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000036128_100000748023 [0,2,0,0,0,0|0,0,2]=4 10713 B11R0.174 C=COC(=O)CSCC(C)CC 62a_100000748023_100000036128 [0,2,0,0,0,0|0,0,2]=4 10714 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100000036128_100011218378 [0,2,0,0,0,0|0,0,2]=4 10715 B11R0.174 C=COC(=O)CSCC(O)CC 62a_100011218378_100000036128 [0,2,0,0,0,0|0,0,2]=4 10716 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100000036128_100009816398 [0,2,0,0,0,0|0,0,2]=4 10717 B11R0.174 C=COC(=O)CSC[C@@H](C)CC 62a_100009816398_100000036128 [0,2,0,0,0,0|0,0,2]=4 10718 B11R0.174 C=C[C@H](N)COCC(=O)OCC 34a_100016989147_100000188475 [0,2,0,0,0,0|0,0,2]=4 10719 B11R0.174 CC#CC(=O)CCCN(C)CC 1458a_100000763181_100015186262 [0,2,0,0,0,0|1,0,1]=4 10720 B11R0.174 CC=CC(=O)CCCN(C)CC 1458a_100000210699_100015186262 [0,2,0,0,0,0|1,0,1]=4 10721 B11R0.174 CC=CC(=O)NCCC(C)CC 11a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 10722 B11R0.174 CC=CC(=O)NCCC(C)CC 1626a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 10723 B11R0.174 CC=CC(=O)NCCC(C)CC 240690a_100020591266_100000210699 [0,2,0,0,0,0|1,0,1]=4 10724 B11R0.174 CCC(C)CCNC(=O)CCO 240690a_100020591266_100011216618 [0,2,0,0,0,0|2,0,0]=4 10725 B11R0.174 CCC(C)CCNC(=O)COC 11a_100020591266_100000210968 [0,2,0,0,0,0|2,0,0]=4 10726 B11R0.174 CCC(C)CCNC(=O)COC 1626a_100020591266_100000210968 [0,2,0,0,0,0|2,0,0]=4 10727 B11R0.174 CCC(C)CCNC(=O)COC 240690a_100020591266_100000210968 [0,2,0,0,0,0|2,0,0]=4 10728 B11R0.174 CCC(C)CCNC(=O)COC 527a_100020591266_100000210968 [0,2,0,0,0,0|2,0,0]=4 10729 B11R0.174 CCC(C)CCNC(=O)CSC 11a_100020591266_100000184570 [0,2,0,0,0,0|2,0,0]=4 10730 B11R0.174 CCC(C)CCNC(=O)CSC 1626a_100020591266_100000184570 [0,2,0,0,0,0|2,0,0]=4 10731 B11R0.174 CCC(C)CCNC(=O)CSC 240690a_100020591266_100000184570 [0,2,0,0,0,0|2,0,0]=4 10732 B11R0.174 CCC(C)CCNC(=O)CSC 527a_100020591266_100000184570 [0,2,0,0,0,0|2,0,0]=4 10733 B11R0.174 CCC(C)CCNC(=O)NNC 273464a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 10734 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100016993582_100020591266 [0,2,0,0,0,0|2,0,0]=4 10735 B11R0.174 CCC(C)CCNC(=O)NNC 512a_100020591266_100016993582 [0,2,0,0,0,0|2,0,0]=4 10736 B11R0.174 CCC(C)CNCC(=O)NCO 2230a_100020588543_100000185155 [0,2,0,0,0,0|2,0,0]=4 10737 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000185155_100000748023 [0,2,0,0,0,0|2,0,0]=4 10738 B11R0.174 CCC(C)CSCC(=O)NCO 62a_100000748023_100000185155 [0,2,0,0,0,0|2,0,0]=4 10739 B11R0.174 CCC(O)CNCC(=O)NCO 2230a_100011218483_100000185155 [0,2,0,0,0,0|2,0,0]=4 10740 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100000185155_100011218378 [0,2,0,0,0,0|2,0,0]=4 10741 B11R0.174 CCC(O)CSCC(=O)NCO 62a_100011218378_100000185155 [0,2,0,0,0,0|2,0,0]=4 10742 B11R0.174 CCCC(=O)CCCC(=O)NC 1458a_100000211992_100000741757 [0,2,0,0,0,0|1,0,1]=4 10743 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000211992_100011218270 [0,2,0,0,0,0|1,0,1]=4 10744 B11R0.174 CCCC(=O)CCCC(=O)OC 1458a_100000239890_100000210303 [0,2,0,0,0,0|1,0,1]=4 10745 B11R0.174 CCCC(=O)CCCN(C)CC 1458a_100000211992_100015186262 [0,2,0,0,0,0|1,0,0]=3 10746 B11R0.174 CCCC(=O)CCCN(C)N=O 1458a_200000076914_100000210303 [0,2,0,0,0,0|2,0,0]=4 10747 B11R0.174 CCCC(=O)CNCC(C)CC 2230a_100020588543_100000747444 [0,2,0,0,0,0|1,0,0]=3 10748 B11R0.174 CCCC(=O)CNCC(O)CC 2230a_100011218483_100000747444 [0,2,0,0,0,0|1,0,0]=3 10749 B11R0.174 CCCC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000747444 [0,2,0,0,0,0|2,0,0]=4 10750 B11R0.174 CCCC(=O)CNC[C@H](O)CO 2230a_100020644852_100000747444 [0,2,0,0,0,0|2,0,0]=4 10751 B11R0.174 CCCC(=O)COC[C@@H](C)CC 7a_100009816381_100000747444 [0,2,0,0,0,0|1,0,0]=3 10752 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747405_100000747444 [0,2,0,0,0,0|1,0,1]=4 10753 B11R0.174 CCCC(=O)CSCC(=O)CC 62a_100000747444_100000747405 [0,2,0,0,0,0|1,0,1]=4 10754 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000747444_100000748023 [0,2,0,0,0,0|1,0,0]=3 10755 B11R0.174 CCCC(=O)CSCC(C)CC 62a_100000748023_100000747444 [0,2,0,0,0,0|1,0,0]=3 10756 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100000747444_100011218378 [0,2,0,0,0,0|1,0,0]=3 10757 B11R0.174 CCCC(=O)CSCC(O)CC 62a_100011218378_100000747444 [0,2,0,0,0,0|1,0,0]=3 10758 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100000747444_100011219619 [0,2,0,0,0,0|2,0,0]=4 10759 B11R0.174 CCCC(=O)CSCC(O)CO 62a_100011219619_100000747444 [0,2,0,0,0,0|2,0,0]=4 10760 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100000747444_100009816398 [0,2,0,0,0,0|1,0,0]=3 10761 B11R0.174 CCCC(=O)CSC[C@@H](C)CC 62a_100009816398_100000747444 [0,2,0,0,0,0|1,0,0]=3 10762 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000059175_100000747444 [0,2,0,0,0,0|2,0,0]=4 10763 B11R0.174 CCCC(=O)CSC[C@@H](C)CO 62a_100000747444_100000059175 [0,2,0,0,0,0|2,0,0]=4 10764 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100000747444_100015614560 [0,2,0,0,0,0|2,0,0]=4 10765 B11R0.174 CCCC(=O)CSC[C@@H](O)CF 62a_100015614560_100000747444 [0,2,0,0,0,0|2,0,0]=4 10766 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100000747444_100009815848 [0,2,0,0,0,0|2,0,0]=4 10767 B11R0.174 CCCC(=O)CSC[C@@H](O)CO 62a_100009815848_100000747444 [0,2,0,0,0,0|2,0,0]=4 10768 B11R0.174 CCCC(=O)NCCC(C)CC 11a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 10769 B11R0.174 CCCC(=O)NCCC(C)CC 1626a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 10770 B11R0.174 CCCC(=O)NCCC(C)CC 240690a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 10771 B11R0.174 CCCC(=O)NCCC(C)CC 527a_100020591266_100000211992 [0,2,0,0,0,0|1,0,0]=3 10772 B11R0.174 CCCC(=O)NCCC(C)CO 240690a_106354213184_100000211992 [0,2,0,0,0,0|2,0,0]=4 10773 B11R0.174 CCCC(=O)NCCC(C)CO 527a_106354213184_100000211992 [0,2,0,0,0,0|2,0,0]=4 10774 B11R0.174 CCCC(=O)NNCC(O)CC 22a_100015206393_100000211992 [0,2,0,0,0,0|2,0,0]=4 10775 B11R0.174 CCCC(=O)OCNC(C)CC 2230a_100000209981_100000034017 [0,2,0,0,0,0|2,0,0]=4 10776 B11R0.174 CCCC(=O)OCSC(C)CC 62a_100000758301_100000034017 [0,2,0,0,0,0|2,0,0]=4 10777 B11R0.174 CCN(C)CCCC(=O)CCO 1458a_100011216618_100015186262 [0,2,0,0,0,0|2,0,0]=4 10778 B11R0.174 CCN(C)CCCC(=O)COC 1458a_100000210968_100015186262 [0,2,0,0,0,0|2,0,0]=4 10779 B11R0.174 CCN(C)CCCC(=O)CSC 1458a_100000184570_100015186262 [0,2,0,0,0,0|2,0,0]=4 10780 B11R0.174 CCNC(=O)CCCC(=O)CC 1458a_100000199580_100000210202 [0,2,0,0,0,0|1,0,0]=3 10781 B11R0.174 CCNC(=O)CCCC(=O)CF 1458a_100000199580_100015361967 [0,2,0,0,0,0|1,0,1]=4 10782 B11R0.174 CCNC(=O)CCCC(=O)NC 11a_106832991635_100000199580 [0,2,0,0,0,0|1,0,1]=4 10783 B11R0.174 CCNC(=O)CCCC(=O)NC 1626a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 10784 B11R0.174 CCNC(=O)CCCC(=O)NC 240690a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 10785 B11R0.174 CCNC(=O)CCCC(=O)NC 527a_100102657272_100000199580 [0,2,0,0,0,0|1,0,1]=4 10786 B11R0.174 CCNC(=O)CCCC(=O)OC 11a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 10787 B11R0.174 CCNC(=O)CCCC(=O)OC 240690a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 10788 B11R0.174 CCNC(=O)CCCC(=O)OC 527a_100015525214_100000239890 [0,2,0,0,0,0|1,0,1]=4 10789 B11R0.174 CCNC(=O)CCCN(C)N=O 11a_100015525214_200000076914 [0,2,0,0,0,0|2,0,0]=4 10790 B11R0.174 CCNC(=O)CCCN(C)N=O 240690a_100015525214_200000076914 [0,2,0,0,0,0|2,0,0]=4 10791 B11R0.174 CCNC(=O)CCCN(C)N=O 527a_100015525214_200000076914 [0,2,0,0,0,0|2,0,0]=4 10792 B11R0.174 CCNC(=O)CCNC(=O)CC 11a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 10793 B11R0.174 CCNC(=O)CCNC(=O)CC 1626a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 10794 B11R0.174 CCNC(=O)CCNC(=O)CC 240690a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 10795 B11R0.174 CCNC(=O)CCNC(=O)CC 527a_100025743525_100000210414 [0,2,0,0,0,0|1,0,1]=4 10796 B11R0.174 CCNC(=O)CCNC(C)C#N 2230a_100000737613_100000737597 [0,2,0,0,0,0|2,0,0]=4 10797 B11R0.174 CCNC(=O)CCNC(C)CC 2230a_100000209981_100000737597 [0,2,0,0,0,0|1,0,0]=3 10798 B11R0.174 CCNC(=O)CCNC(C)CC 34a_100025743525_100011215416 [0,2,0,0,0,0|1,0,0]=3 10799 B11R0.174 CCNC(=O)CCNC(C)CO 34a_100025743525_100012180447 [0,2,0,0,0,0|2,0,0]=4 10800 B11R0.174 CCNC(=O)CCN[C@H](C)CO 2230a_100000737577_100000737597 [0,2,0,0,0,0|2,0,0]=4 10801 B11R0.174 CCNC(=O)CCOC(C)CC 7a_100000210228_100000737597 [0,2,0,0,0,0|1,0,0]=3 10802 B11R0.174 CCNC(=O)CCOC(C)CF 7a_100016041109_100000737597 [0,2,0,0,0,0|2,0,0]=4 10803 B11R0.174 CCNC(=O)CCSC(C)C#N 62a_100000703298_100000737597 [0,2,0,0,0,0|2,0,0]=4 10804 B11R0.174 CCNC(=O)CCSC(C)C#N 62a_100000737597_100000703298 [0,2,0,0,0,0|2,0,0]=4 10805 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000737597_100000758301 [0,2,0,0,0,0|1,0,0]=3 10806 B11R0.174 CCNC(=O)CCSC(C)CC 62a_100000758301_100000737597 [0,2,0,0,0,0|1,0,0]=3 10807 B11R0.174 CCNC(=O)CCSC(C)CO 62a_100012180447_100000737597 [0,2,0,0,0,0|2,0,0]=4 10808 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100000737597_100009879195 [0,2,0,0,0,0|2,0,0]=4 10809 B11R0.174 CCNC(=O)CCSC(C)OC 62a_100009879195_100000737597 [0,2,0,0,0,0|2,0,0]=4 10810 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100000737597_100016084084 [0,2,0,0,0,0|2,0,0]=4 10811 B11R0.174 CCNC(=O)CCS[C@H](C)CO 62a_100016084084_100000737597 [0,2,0,0,0,0|2,0,0]=4 10812 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100016988866_100000748023 [0,2,0,0,0,0|1,0,0]=3 10813 B11R0.174 CCNC(=O)CNCC(C)CC 2230a_100020588543_100000183381 [0,2,0,0,0,0|1,0,0]=3 10814 B11R0.174 CCNC(=O)CNCC(C)CC 270004a_100016988866_100000243153 [0,2,0,0,0,0|1,0,0]=3 10815 B11R0.174 CCNC(=O)CNCC(C)CO 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 10816 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100011218483_100000183381 [0,2,0,0,0,0|1,0,0]=3 10817 B11R0.174 CCNC(=O)CNCC(O)CC 2230a_100016988866_100011218378 [0,2,0,0,0,0|1,0,0]=3 10818 B11R0.174 CCNC(=O)CNCC(O)CO 2230a_100016988866_100011219619 [0,2,0,0,0,0|2,0,0]=4 10819 B11R0.174 CCNC(=O)CNC[C@@H](C)CC 2230a_100016988866_100009816398 [0,2,0,0,0,0|1,0,0]=3 10820 B11R0.174 CCNC(=O)CNC[C@@H](C)CO 2230a_100016988866_100000059175 [0,2,0,0,0,0|2,0,0]=4 10821 B11R0.174 CCNC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000183381 [0,2,0,0,0,0|2,0,0]=4 10822 B11R0.174 CCNC(=O)CNC[C@@H](F)CO 34a_100015665980_100000183381 [0,2,0,0,0,0|2,0,0]=4 10823 B11R0.174 CCNC(=O)CNC[C@@H](O)CF 2230a_100016988866_100015614560 [0,2,0,0,0,0|2,0,0]=4 10824 B11R0.174 CCNC(=O)CNC[C@@H](O)CO 2230a_100016988866_100009815848 [0,2,0,0,0,0|2,0,0]=4 10825 B11R0.174 CCNC(=O)CNC[C@H](O)CO 2230a_100020644852_100000183381 [0,2,0,0,0,0|2,0,0]=4 10826 B11R0.174 CCNC(=O)COCC(=O)CC 34a_100000725409_100000183381 [0,2,0,0,0,0|1,0,1]=4 10827 B11R0.174 CCNC(=O)COCC(C)CN 34a_100000744482_100000183381 [0,2,0,0,0,0|2,0,0]=4 10828 B11R0.174 CCNC(=O)COCC(C)OC 34a_100000690652_100000183381 [0,2,0,0,0,0|2,0,0]=4 10829 B11R0.174 CCNC(=O)COCC(Cl)CCl 34a_100000033668_100000183381 [0,2,0,0,0,0|2,0,0]=4 10830 B11R0.174 CCNC(=O)COC[C@@H](C)CC 7a_100009816381_100000183381 [0,2,0,0,0,0|1,0,0]=3 10831 B11R0.174 CCNC(=O)COC[C@H](F)CN 34a_100015665980_100000183381 [0,2,0,0,0,0|2,0,0]=4 10832 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000183381_100000747405 [0,2,0,0,0,0|1,0,1]=4 10833 B11R0.174 CCNC(=O)CSCC(=O)CC 62a_100000747405_100000183381 [0,2,0,0,0,0|1,0,1]=4 10834 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000183381_100000748023 [0,2,0,0,0,0|1,0,0]=3 10835 B11R0.174 CCNC(=O)CSCC(C)CC 62a_100000748023_100000183381 [0,2,0,0,0,0|1,0,0]=3 10836 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100000183381_100011218378 [0,2,0,0,0,0|1,0,0]=3 10837 B11R0.174 CCNC(=O)CSCC(O)CC 62a_100011218378_100000183381 [0,2,0,0,0,0|1,0,0]=3 10838 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100000183381_100011219619 [0,2,0,0,0,0|2,0,0]=4 10839 B11R0.174 CCNC(=O)CSCC(O)CO 62a_100011219619_100000183381 [0,2,0,0,0,0|2,0,0]=4 10840 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100000183381_100009816398 [0,2,0,0,0,0|1,0,0]=3 10841 B11R0.174 CCNC(=O)CSC[C@@H](C)CC 62a_100009816398_100000183381 [0,2,0,0,0,0|1,0,0]=3 10842 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000059175_100000183381 [0,2,0,0,0,0|2,0,0]=4 10843 B11R0.174 CCNC(=O)CSC[C@@H](C)CO 62a_100000183381_100000059175 [0,2,0,0,0,0|2,0,0]=4 10844 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100000183381_100015614560 [0,2,0,0,0,0|2,0,0]=4 10845 B11R0.174 CCNC(=O)CSC[C@@H](O)CF 62a_100015614560_100000183381 [0,2,0,0,0,0|2,0,0]=4 10846 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100000183381_100009815848 [0,2,0,0,0,0|2,0,0]=4 10847 B11R0.174 CCNC(=O)CSC[C@@H](O)CO 62a_100009815848_100000183381 [0,2,0,0,0,0|2,0,0]=4 10848 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 10849 B11R0.174 CCNC(=O)NCCC(C)CC 2708a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 10850 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 10851 B11R0.174 CCNC(=O)NCCC(C)CC 273464a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 10852 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100015525214_100020591266 [0,2,0,0,0,0|1,0,0]=3 10853 B11R0.174 CCNC(=O)NCCC(C)CC 512a_100020591266_100015525214 [0,2,0,0,0,0|1,0,0]=3 10854 B11R0.174 CCNC(=O)NCCC(C)CO 2708a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 10855 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 10856 B11R0.174 CCNC(=O)NCCC(C)CO 273464a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 10857 B11R0.174 CCNC(=O)NCCC(C)CO 512a_100015525214_106354213184 [0,2,0,0,0,0|2,0,0]=4 10858 B11R0.174 CCNC(=O)NCCC(C)CO 512a_106354213184_100015525214 [0,2,0,0,0,0|2,0,0]=4 10859 B11R0.174 CCNC(=O)NNCC(O)CC 273464a_100015525214_100015206393 [0,2,0,0,0,0|2,0,0]=4 10860 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015206393_100015525214 [0,2,0,0,0,0|2,0,0]=4 10861 B11R0.174 CCNC(=O)NNCC(O)CC 512a_100015525214_100015206393 [0,2,0,0,0,0|2,0,0]=4 10862 B11R0.174 CCOC(=O)/C=C/CN(C)CC 2230a_100000225621_100016267167 [0,2,0,0,0,0|0,0,2]=4 10863 B11R0.174 CCOC(=O)/C=C/CN(C)CC 269982a_100000225621_100016267167 [0,2,0,0,0,0|0,0,2]=4 10864 B11R0.174 CCOC(=O)C=NNC(C)CC 4a_100000718999_100000742314 [0,2,0,0,0,0|1,0,1]=4 10865 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210414_100011215271 [0,2,0,0,0,0|0,0,0]=2 10866 B11R0.174 CCOC(=O)CCCC(=O)CC 1458a_100000210991_100000210202 [0,2,0,0,0,0|0,0,0]=2 10867 B11R0.174 CCOC(=O)CCCC(=O)CF 1458a_100000210991_100015361967 [0,2,0,0,0,0|0,0,1]=3 10868 B11R0.174 CCOC(=O)CCCC(=O)CO 1458a_100000210174_100011215271 [0,2,0,0,0,0|0,0,1]=3 10869 B11R0.174 CCOC(=O)CCCC(=O)NC 11a_106832991635_100000210991 [0,2,0,0,0,0|0,0,1]=3 10870 B11R0.174 CCOC(=O)CCCC(=O)NC 1626a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 10871 B11R0.174 CCOC(=O)CCCC(=O)NC 240690a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 10872 B11R0.174 CCOC(=O)CCCC(=O)NC 527a_100102657272_100000210991 [0,2,0,0,0,0|0,0,1]=3 10873 B11R0.174 CCOC(=O)CCCN(C)CC 2230a_100000225621_100009991533 [0,2,0,0,0,0|0,0,0]=2 10874 B11R0.174 CCOC(=O)CCCN(C)CC 269982a_100000225621_100009991533 [0,2,0,0,0,0|0,0,0]=2 10875 B11R0.174 CCOC(=O)CCNC(=O)CC 188690a_100000746078_100000210414 [0,2,0,0,0,0|0,0,1]=3 10876 B11R0.174 CCOC(=O)CCNC(=O)CO 188690a_100000746078_100000210174 [0,2,0,0,0,0|1,0,1]=4 10877 B11R0.174 CCOC(=O)CCNC(C)C#N 2230a_100000737613_100011206558 [0,2,0,0,0,0|1,0,0]=3 10878 B11R0.174 CCOC(=O)CCNC(C)CC 2230a_100000209981_100011206558 [0,2,0,0,0,0|0,0,0]=2 10879 B11R0.174 CCOC(=O)CCN[C@H](C)CO 2230a_100000737577_100011206558 [0,2,0,0,0,0|1,0,0]=3 10880 B11R0.174 CCOC(=O)CCOC(C)C#N 34a_100011218135_100000765890 [0,2,0,0,0,0|1,0,0]=3 10881 B11R0.174 CCOC(=O)CCOC(C)CC 7a_100000210228_100011206558 [0,2,0,0,0,0|0,0,0]=2 10882 B11R0.174 CCOC(=O)CCOC(C)CF 34a_100016041109_100000765890 [0,2,0,0,0,0|1,0,0]=3 10883 B11R0.174 CCOC(=O)CCOC(C)CF 7a_100016041109_100011206558 [0,2,0,0,0,0|1,0,0]=3 10884 B11R0.174 CCOC(=O)CCOC(C)CN 34a_100000210904_100000765890 [0,2,0,0,0,0|1,0,0]=3 10885 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000703298_100000765890 [0,2,0,0,0,0|1,0,0]=3 10886 B11R0.174 CCOC(=O)CCSC(C)C#N 62a_100000765890_100000703298 [0,2,0,0,0,0|1,0,0]=3 10887 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000758301_100000765890 [0,2,0,0,0,0|0,0,0]=2 10888 B11R0.174 CCOC(=O)CCSC(C)CC 62a_100000765890_100000758301 [0,2,0,0,0,0|0,0,0]=2 10889 B11R0.174 CCOC(=O)CCSC(C)CO 62a_100012180447_100000765890 [0,2,0,0,0,0|1,0,0]=3 10890 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100000765890_100009879195 [0,2,0,0,0,0|1,0,0]=3 10891 B11R0.174 CCOC(=O)CCSC(C)OC 62a_100009879195_100000765890 [0,2,0,0,0,0|1,0,0]=3 10892 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_100000765890_200000117898 [0,2,0,0,0,0|1,0,1]=4 10893 B11R0.174 CCOC(=O)CCSC(F)C#N 62a_200000117898_100000765890 [0,2,0,0,0,0|1,0,1]=4 10894 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100000765890_100016084084 [0,2,0,0,0,0|1,0,0]=3 10895 B11R0.174 CCOC(=O)CCS[C@H](C)CO 62a_100016084084_100000765890 [0,2,0,0,0,0|1,0,0]=3 10896 B11R0.174 CCOC(=O)CNCC(=O)NC 2230a_100000693194_100000188475 [0,2,0,0,0,0|1,0,1]=4 10897 B11R0.174 CCOC(=O)CNCC(C)CC 2230a_100020588543_100000188475 [0,2,0,0,0,0|0,0,0]=2 10898 B11R0.174 CCOC(=O)CNCC(C)CO 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,0]=3 10899 B11R0.174 CCOC(=O)CNCC(O)CC 2230a_100011218483_100000188475 [0,2,0,0,0,0|0,0,0]=2 10900 B11R0.174 CCOC(=O)CNC[C@@H](C)OC 2230a_100020591295_100000188475 [0,2,0,0,0,0|1,0,0]=3 10901 B11R0.174 CCOC(=O)CNC[C@@H](F)CO 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,0]=3 10902 B11R0.174 CCOC(=O)CNC[C@H](O)CO 2230a_100020644852_100000188475 [0,2,0,0,0,0|1,0,0]=3 10903 B11R0.174 CCOC(=O)COCC(=O)CC 34a_100000725409_100000188475 [0,2,0,0,0,0|0,0,1]=3 10904 B11R0.174 CCOC(=O)COCC(=O)NC 34a_100000750040_100000188475 [0,2,0,0,0,0|1,0,1]=4 10905 B11R0.174 CCOC(=O)COCC(C)CN 34a_100000744482_100000188475 [0,2,0,0,0,0|1,0,0]=3 10906 B11R0.174 CCOC(=O)COCC(C)OC 34a_100000690652_100000188475 [0,2,0,0,0,0|1,0,0]=3 10907 B11R0.174 CCOC(=O)COCC(Cl)CCl 34a_100000033668_100000188475 [0,2,0,0,0,0|1,0,0]=3 10908 B11R0.174 CCOC(=O)COC[C@@H](C)CC 7a_100009816381_100000188475 [0,2,0,0,0,0|0,0,0]=2 10909 B11R0.174 CCOC(=O)COC[C@H](F)CN 34a_100015665980_100000188475 [0,2,0,0,0,0|1,0,0]=3 10910 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000188475_100000747405 [0,2,0,0,0,0|0,0,1]=3 10911 B11R0.174 CCOC(=O)CSCC(=O)CC 62a_100000747405_100000188475 [0,2,0,0,0,0|0,0,1]=3 10912 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000183359_100000188475 [0,2,0,0,0,0|1,0,1]=4 10913 B11R0.174 CCOC(=O)CSCC(=O)NC 62a_100000188475_100000183359 [0,2,0,0,0,0|1,0,1]=4 10914 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000188475_100000747449 [0,2,0,0,0,0|1,0,1]=4 10915 B11R0.174 CCOC(=O)CSCC(=O)OC 62a_100000747449_100000188475 [0,2,0,0,0,0|1,0,1]=4 10916 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000188475_100000748023 [0,2,0,0,0,0|0,0,0]=2 10917 B11R0.174 CCOC(=O)CSCC(C)CC 62a_100000748023_100000188475 [0,2,0,0,0,0|0,0,0]=2 10918 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100000188475_100011218378 [0,2,0,0,0,0|0,0,0]=2 10919 B11R0.174 CCOC(=O)CSCC(O)CC 62a_100011218378_100000188475 [0,2,0,0,0,0|0,0,0]=2 10920 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100000188475_100011219619 [0,2,0,0,0,0|1,0,0]=3 10921 B11R0.174 CCOC(=O)CSCC(O)CO 62a_100011219619_100000188475 [0,2,0,0,0,0|1,0,0]=3 10922 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100000188475_100009816398 [0,2,0,0,0,0|0,0,0]=2 10923 B11R0.174 CCOC(=O)CSC[C@@H](C)CC 62a_100009816398_100000188475 [0,2,0,0,0,0|0,0,0]=2 10924 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000059175_100000188475 [0,2,0,0,0,0|1,0,0]=3 10925 B11R0.174 CCOC(=O)CSC[C@@H](C)CO 62a_100000188475_100000059175 [0,2,0,0,0,0|1,0,0]=3 10926 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100000188475_100015614560 [0,2,0,0,0,0|1,0,0]=3 10927 B11R0.174 CCOC(=O)CSC[C@@H](O)CF 62a_100015614560_100000188475 [0,2,0,0,0,0|1,0,0]=3 10928 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100000188475_100009815848 [0,2,0,0,0,0|1,0,0]=3 10929 B11R0.174 CCOC(=O)CSC[C@@H](O)CO 62a_100009815848_100000188475 [0,2,0,0,0,0|1,0,0]=3 10930 B11R0.174 CCOC(=O)NCCC(=O)CC 1458a_100000210414_200011445536 [0,2,0,0,0,0|0,0,1]=3 10931 B11R0.174 CCOC(=O)NCCC(=O)CO 1458a_100000210174_200011445536 [0,2,0,0,0,0|1,0,1]=4 10932 B11R0.174 CCOC(=O)NCCN(C)CC 269982a_100000225621_200011445536 [0,2,0,0,0,0|1,0,0]=3 10933 B11R0.174 CCOC(=O)OCSC(C)C#N 62a_100000703298_100000075025 [0,2,0,0,0,0|2,0,0]=4 10934 B11R0.174 CCOC(=O)OCSC(C)CC 62a_100000758301_100000075025 [0,2,0,0,0,0|1,0,0]=3 10935 B11R0.174 CCOC(=O)OCSC(C)CO 62a_100012180447_100000075025 [0,2,0,0,0,0|2,0,0]=4 10936 B11R0.174 CCOC(=O)OCSC(C)OC 62a_100009879195_100000075025 [0,2,0,0,0,0|2,0,0]=4 10937 B11R0.174 CCOC(=O)OCS[C@H](C)CO 62a_100016084084_100000075025 [0,2,0,0,0,0|2,0,0]=4 10938 B11R0.174 CC[C@H](C)COCC(=O)NCO 7a_100009816381_100000185155 [0,2,0,0,0,0|2,0,0]=4 10939 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100000185155_100009816398 [0,2,0,0,0,0|2,0,0]=4 10940 B11R0.174 CC[C@H](C)CSCC(=O)NCO 62a_100009816398_100000185155 [0,2,0,0,0,0|2,0,0]=4 10941 B11R0.176 C=C(Br)CCOCC(=O)OCC 34a_100009813270_100000188475 [0,2,0,0,0,0|0,0,2]=4 10942 B11R0.176 C=C(C)CCNCC(=O)NCC 2230a_100016988866_100000730704 [0,2,0,0,0,0|1,0,1]=4 10943 B11R0.176 C=C(C)CCOCC(=O)NCC 34a_100000764851_100000183381 [0,2,0,0,0,0|1,0,1]=4 10944 B11R0.176 C=C(C)CCOCC(=O)OCC 34a_100000764851_100000188475 [0,2,0,0,0,0|0,0,1]=3 10945 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000730704_100000747444 [0,2,0,0,0,0|1,0,1]=4 10946 B11R0.176 C=C(C)CCSCC(=O)CCC 62a_100000747444_100000730704 [0,2,0,0,0,0|1,0,1]=4 10947 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000183381_100000730704 [0,2,0,0,0,0|1,0,1]=4 10948 B11R0.176 C=C(C)CCSCC(=O)NCC 62a_100000730704_100000183381 [0,2,0,0,0,0|1,0,1]=4 10949 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000188475_100000730704 [0,2,0,0,0,0|0,0,1]=3 10950 B11R0.176 C=C(C)CCSCC(=O)OCC 62a_100000730704_100000188475 [0,2,0,0,0,0|0,0,1]=3 10951 B11R0.176 C=C(C)CNCCC(=O)NCC 34a_100025743525_100000748629 [0,2,0,0,0,0|1,0,1]=4 10952 B11R0.176 C=C(C)COCCC(=O)OCC 34a_100000210245_100000765890 [0,2,0,0,0,0|0,0,1]=3 10953 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000737597_100000211660 [0,2,0,0,0,0|1,0,1]=4 10954 B11R0.176 C=C(C)CSCCC(=O)NCC 62a_100000748629_100000737597 [0,2,0,0,0,0|1,0,1]=4 10955 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000748629_100000765890 [0,2,0,0,0,0|0,0,1]=3 10956 B11R0.176 C=C(C)CSCCC(=O)OCC 62a_100000765890_100000211660 [0,2,0,0,0,0|0,0,1]=3 10957 B11R0.176 C=C(C)CSCOC(=O)OCC 62a_100000748629_100000075025 [0,2,0,0,0,0|1,0,1]=4 10958 B11R0.176 C=C(F)COCCC(=O)OCC 34a_200010262243_100000765890 [0,2,0,0,0,0|0,0,2]=4 10959 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000042424_100000765890 [0,2,0,0,0,0|0,0,2]=4 10960 B11R0.176 C=C(F)CSCCC(=O)OCC 62a_100000765890_100000042424 [0,2,0,0,0,0|0,0,2]=4 10961 B11R0.176 C=COC(=O)CNCCC(C)O 2230a_200000755665_100000036128 [0,2,0,0,0,0|0,0,2]=4 10962 B11R0.176 C=COC(=O)COCCC(C)Br 34a_100009893172_100000036128 [0,2,0,0,0,0|0,0,2]=4 10963 B11R0.176 C=COC(=O)COCCC(C)C 34a_100000210254_100000036128 [0,2,0,0,0,0|0,0,2]=4 10964 B11R0.176 C=COC(=O)COCC[C@@H](C)N 34a_100000706166_100000036128 [0,2,0,0,0,0|0,0,2]=4 10965 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000036128_100000210312 [0,2,0,0,0,0|0,0,2]=4 10966 B11R0.176 C=COC(=O)CSCCC(C)C 62a_100000210312_100000036128 [0,2,0,0,0,0|0,0,2]=4 10967 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100000036128_100012276601 [0,2,0,0,0,0|0,0,2]=4 10968 B11R0.176 C=COC(=O)CSCCC(C)O 62a_100012276601_100000036128 [0,2,0,0,0,0|0,0,2]=4 10969 B11R0.176 CC#CC(=O)CCCCC(=O)C 1458a_100000763181_100000735457 [0,2,0,0,0,0|1,0,1]=4 10970 B11R0.176 CC#CC(=O)CCCCC(C)C 1458a_100000763181_100011216152 [0,2,0,0,0,0|1,0,1]=4 10971 B11R0.176 CC(=O)CCCCC(=O)CCO 1458a_100011216618_100000735457 [0,2,0,0,0,0|2,0,0]=4 10972 B11R0.176 CC(Br)CCOCC(=O)NCO 34a_100009893172_100000185155 [0,2,0,0,0,0|2,0,0]=4 10973 B11R0.176 CC(C)CCCCC(=O)CCF 1458a_100011933920_100011217306 [0,2,0,0,0,0|2,0,0]=4 10974 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011216618_100011216152 [0,2,0,0,0,0|2,0,0]=4 10975 B11R0.176 CC(C)CCCCC(=O)CCO 1458a_100011933920_100000211926 [0,2,0,0,0,0|2,0,0]=4 10976 B11R0.176 CC(C)CCCNC(=O)CCO 240690a_200000737386_100011216618 [0,2,0,0,0,0|2,0,0]=4 10977 B11R0.176 CC(C)CCOCC(=O)NCO 34a_100000210254_100000185155 [0,2,0,0,0,0|2,0,0]=4 10978 B11R0.176 CC(C)CCOCC(=O)NCO 7a_100000210254_100000185155 [0,2,0,0,0,0|2,0,0]=4 10979 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000185155_100000210312 [0,2,0,0,0,0|2,0,0]=4 10980 B11R0.176 CC(C)CCSCC(=O)NCO 62a_100000210312_100000185155 [0,2,0,0,0,0|2,0,0]=4 10981 B11R0.176 CC(O)CCNCC(=O)NCO 2230a_200000755665_100000185155 [0,2,0,0,0,0|2,0,0]=4 10982 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100000185155_100012276601 [0,2,0,0,0,0|2,0,0]=4 10983 B11R0.176 CC(O)CCSCC(=O)NCO 62a_100012276601_100000185155 [0,2,0,0,0,0|2,0,0]=4 10984 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|1,0,1]=4 10985 B11R0.176 CC=CC(=O)CCCCC(C)C 1458a_100000210699_100011216152 [0,2,0,0,0,0|1,0,1]=4 10986 B11R0.176 CC=CC(=O)NCCCC(C)C 11a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 10987 B11R0.176 CC=CC(=O)NCCCC(C)C 1626a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 10988 B11R0.176 CC=CC(=O)NCCCC(C)C 240690a_200000737386_100000210699 [0,2,0,0,0,0|1,0,1]=4 10989 B11R0.176 CCCC(=O)CCCCB(O)O 1458a_100000211992_200009817182 [0,2,0,0,0,0|2,0,0]=4 10990 B11R0.176 CCCC(=O)CCCCC(=O)C 1458a_100000211992_100000735457 [0,2,0,0,0,0|1,0,0]=3 10991 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100000211992_100011216152 [0,2,0,0,0,0|1,0,0]=3 10992 B11R0.176 CCCC(=O)CCCCC(C)C 1458a_100011933920_100000210303 [0,2,0,0,0,0|1,0,0]=3 10993 B11R0.176 CCCC(=O)CCCNC(=O)C 1458a_100000194741_100000210303 [0,2,0,0,0,0|1,0,1]=4 10994 B11R0.176 CCCC(=O)CCCOC(=O)C 1458a_100000211992_100000042594 [0,2,0,0,0,0|1,0,1]=4 10995 B11R0.176 CCCC(=O)CCCOC(=S)C 1458a_100000211992_200135323944 [0,2,0,0,0,0|1,0,1]=4 10996 B11R0.176 CCCC(=O)CCCSC(=O)C 1458a_100000211992_100000038929 [0,2,0,0,0,0|1,0,1]=4 10997 B11R0.176 CCCC(=O)CCOCC(F)F 1458a_100000211992_200012177212 [0,2,0,0,0,0|2,0,0]=4 10998 B11R0.176 CCCC(=O)CNCCC(C)O 2230a_200000755665_100000747444 [0,2,0,0,0,0|1,0,0]=3 10999 B11R0.176 CCCC(=O)COCCC(=O)C 7a_100000759926_100000747444 [0,2,0,0,0,0|1,0,1]=4 11000 B11R0.176 CCCC(=O)COCCC(C)C 7a_100000210254_100000747444 [0,2,0,0,0,0|1,0,0]=3 11001 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000053229_100000747444 [0,2,0,0,0,0|1,0,1]=4 11002 B11R0.176 CCCC(=O)CSCCC(=O)C 62a_100000747444_100000053229 [0,2,0,0,0,0|1,0,1]=4 11003 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000210312_100000747444 [0,2,0,0,0,0|1,0,0]=3 11004 B11R0.176 CCCC(=O)CSCCC(C)C 62a_100000747444_100000210312 [0,2,0,0,0,0|1,0,0]=3 11005 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100000747444_100012276601 [0,2,0,0,0,0|1,0,0]=3 11006 B11R0.176 CCCC(=O)CSCCC(C)O 62a_100012276601_100000747444 [0,2,0,0,0,0|1,0,0]=3 11007 B11R0.176 CCCC(=O)CSCCN(C)C 62a_100000747444_100000755713 [0,2,0,0,0,0|2,0,0]=4 11008 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000709892_100000747444 [0,2,0,0,0,0|2,0,0]=4 11009 B11R0.176 CCCC(=O)CSCOC(C)C 62a_100000747444_100000709892 [0,2,0,0,0,0|2,0,0]=4 11010 B11R0.176 CCCC(=O)NCCCC(C)C 11a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 11011 B11R0.176 CCCC(=O)NCCCC(C)C 1626a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 11012 B11R0.176 CCCC(=O)NCCCC(C)C 240690a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 11013 B11R0.176 CCCC(=O)NCCCC(C)C 527a_200000737386_100000211992 [0,2,0,0,0,0|1,0,0]=3 11014 B11R0.176 CCCC(=O)NCCCN(C)C 240690a_102531767803_100000211992 [0,2,0,0,0,0|2,0,0]=4 11015 B11R0.176 CCCC(=O)NCCCN(C)C 527a_102531767803_100000211992 [0,2,0,0,0,0|2,0,0]=4 11016 B11R0.176 CCCC(=O)NCCCS(=O)C 11a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 11017 B11R0.176 CCCC(=O)NCCCS(=O)C 240690a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 11018 B11R0.176 CCCC(=O)NCCCS(=O)C 527a_200000753449_100000211992 [0,2,0,0,0,0|2,0,0]=4 11019 B11R0.176 CCCC(=O)NCCOC(C)C 11a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 11020 B11R0.176 CCCC(=O)NCCOC(C)C 1626a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 11021 B11R0.176 CCCC(=O)NCCOC(C)C 240690a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 11022 B11R0.176 CCCC(=O)NCCOC(C)C 527a_100000701111_100000211992 [0,2,0,0,0,0|2,0,0]=4 11023 B11R0.176 CCCC(=O)NCCSC(C)C 11a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 11024 B11R0.176 CCCC(=O)NCCSC(C)C 1626a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 11025 B11R0.176 CCCC(=O)NCCSC(C)C 240690a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 11026 B11R0.176 CCCC(=O)NCCSC(C)C 527a_100000731138_100000211992 [0,2,0,0,0,0|2,0,0]=4 11027 B11R0.176 CCCC(=O)OCNCC(C)C 2230a_100000210953_100000034017 [0,2,0,0,0,0|2,0,0]=4 11028 B11R0.176 CCCC(=O)OCNCC(C)C 34a_100000210953_100000034017 [0,2,0,0,0,0|2,0,0]=4 11029 B11R0.176 CCCC(=O)OCNCC(C)O 2230a_100000210904_100000034017 [0,2,0,0,0,0|2,0,0]=4 11030 B11R0.176 CCCC(=O)OCNCC(C)O 34a_100000210904_100000034017 [0,2,0,0,0,0|2,0,0]=4 11031 B11R0.176 CCCC(=O)OCOCC(C)Br 34a_100012180447_100000034017 [0,2,0,0,0,0|2,0,0]=4 11032 B11R0.176 CCCC(=O)OCOCC(C)C 34a_100000210257_100000034017 [0,2,0,0,0,0|2,0,0]=4 11033 B11R0.176 CCCC(=O)OCOCC(C)F 34a_100015925927_100000034017 [0,2,0,0,0,0|2,0,0]=4 11034 B11R0.176 CCCC(=O)OCOC[C@@H](C)Cl 34a_100016084084_100000034017 [0,2,0,0,0,0|2,0,0]=4 11035 B11R0.176 CCCC(=O)OCOC[C@@H](C)N 34a_100000737577_100000034017 [0,2,0,0,0,0|2,0,0]=4 11036 B11R0.176 CCCC(=O)OCSCC(C)C 62a_100000210624_100000034017 [0,2,0,0,0,0|2,0,0]=4 11037 B11R0.176 CCCC(=O)OCSCC(C)O 62a_100011218427_100000034017 [0,2,0,0,0,0|2,0,0]=4 11038 B11R0.176 CCCC(=O)OCSC[C@@H](C)O 62a_100009817552_100000034017 [0,2,0,0,0,0|2,0,0]=4 11039 B11R0.176 CCNC(=O)CCCCC(C)C 11a_100015525214_100011933920 [0,2,0,0,0,0|1,0,0]=3 11040 B11R0.176 CCNC(=O)CCCCC(C)C 240690a_100015525214_100011933920 [0,2,0,0,0,0|1,0,0]=3 11041 B11R0.176 CCNC(=O)CCCCC(C)C 527a_100015525214_100011933920 [0,2,0,0,0,0|1,0,0]=3 11042 B11R0.176 CCNC(=O)CCCCN(C)C 11a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 11043 B11R0.176 CCNC(=O)CCCCN(C)C 240690a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 11044 B11R0.176 CCNC(=O)CCCCN(C)C 527a_100015525214_100000751710 [0,2,0,0,0,0|1,0,0]=3 11045 B11R0.176 CCNC(=O)CCCNC(=O)C 11a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 11046 B11R0.176 CCNC(=O)CCCNC(=O)C 240690a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 11047 B11R0.176 CCNC(=O)CCCNC(=O)C 527a_100015525214_100000194741 [0,2,0,0,0,0|1,0,1]=4 11048 B11R0.176 CCNC(=O)CCNCC(C)C 2230a_100000210953_100000737597 [0,2,0,0,0,0|1,0,0]=3 11049 B11R0.176 CCNC(=O)CCNCC(C)C 270004a_100025743525_100000210432 [0,2,0,0,0,0|1,0,0]=3 11050 B11R0.176 CCNC(=O)CCNCC(C)C 34a_100025743525_100000210624 [0,2,0,0,0,0|1,0,0]=3 11051 B11R0.176 CCNC(=O)CCNCC(C)O 2230a_100000210904_100000737597 [0,2,0,0,0,0|1,0,0]=3 11052 B11R0.176 CCNC(=O)CCNCC(C)O 34a_100025743525_100011218427 [0,2,0,0,0,0|1,0,0]=3 11053 B11R0.176 CCNC(=O)CCNCC(F)F 34a_100025743525_100011934356 [0,2,0,0,0,0|2,0,0]=4 11054 B11R0.176 CCNC(=O)CCNC[C@@H](C)O 34a_100025743525_100009817552 [0,2,0,0,0,0|1,0,0]=3 11055 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000210624_100000737597 [0,2,0,0,0,0|1,0,0]=3 11056 B11R0.176 CCNC(=O)CCSCC(C)C 62a_100000737597_100000210760 [0,2,0,0,0,0|1,0,0]=3 11057 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100000737597_100011218427 [0,2,0,0,0,0|1,0,0]=3 11058 B11R0.176 CCNC(=O)CCSCC(C)O 62a_100011218427_100000737597 [0,2,0,0,0,0|1,0,0]=3 11059 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100000737597_100011934356 [0,2,0,0,0,0|2,0,0]=4 11060 B11R0.176 CCNC(=O)CCSCC(F)F 62a_100011934356_100000737597 [0,2,0,0,0,0|2,0,0]=4 11061 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100000737597_100009817552 [0,2,0,0,0,0|1,0,0]=3 11062 B11R0.176 CCNC(=O)CCSC[C@@H](C)O 62a_100009817552_100000737597 [0,2,0,0,0,0|1,0,0]=3 11063 B11R0.176 CCNC(=O)CNCCC(C)C 2230a_100016988866_100000210312 [0,2,0,0,0,0|1,0,0]=3 11064 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_100016988866_100012276601 [0,2,0,0,0,0|1,0,0]=3 11065 B11R0.176 CCNC(=O)CNCCC(C)O 2230a_200000755665_100000183381 [0,2,0,0,0,0|1,0,0]=3 11066 B11R0.176 CCNC(=O)CNCOC(C)C 2230a_100016988866_100000709892 [0,2,0,0,0,0|2,0,0]=4 11067 B11R0.176 CCNC(=O)COCCC(=O)C 34a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 11068 B11R0.176 CCNC(=O)COCCC(=O)C 7a_100000759926_100000183381 [0,2,0,0,0,0|1,0,1]=4 11069 B11R0.176 CCNC(=O)COCCC(C)Br 34a_100009893172_100000183381 [0,2,0,0,0,0|1,0,0]=3 11070 B11R0.176 CCNC(=O)COCCC(C)C 34a_100000210254_100000183381 [0,2,0,0,0,0|1,0,0]=3 11071 B11R0.176 CCNC(=O)COCCC(C)C 7a_100000210254_100000183381 [0,2,0,0,0,0|1,0,0]=3 11072 B11R0.176 CCNC(=O)COCCC(F)F 34a_100103093639_100000183381 [0,2,0,0,0,0|2,0,0]=4 11073 B11R0.176 CCNC(=O)COCC[C@@H](C)N 34a_100000706166_100000183381 [0,2,0,0,0,0|1,0,0]=3 11074 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000053229_100000183381 [0,2,0,0,0,0|1,0,1]=4 11075 B11R0.176 CCNC(=O)CSCCC(=O)C 62a_100000183381_100000053229 [0,2,0,0,0,0|1,0,1]=4 11076 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000183381_100000210312 [0,2,0,0,0,0|1,0,0]=3 11077 B11R0.176 CCNC(=O)CSCCC(C)C 62a_100000210312_100000183381 [0,2,0,0,0,0|1,0,0]=3 11078 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100000183381_100012276601 [0,2,0,0,0,0|1,0,0]=3 11079 B11R0.176 CCNC(=O)CSCCC(C)O 62a_100012276601_100000183381 [0,2,0,0,0,0|1,0,0]=3 11080 B11R0.176 CCNC(=O)CSCCN(C)C 62a_100000183381_100000755713 [0,2,0,0,0,0|2,0,0]=4 11081 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000183381_100000709892 [0,2,0,0,0,0|2,0,0]=4 11082 B11R0.176 CCNC(=O)CSCOC(C)C 62a_100000709892_100000183381 [0,2,0,0,0,0|2,0,0]=4 11083 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 11084 B11R0.176 CCNC(=O)NCCCC(C)C 2708a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 11085 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 11086 B11R0.176 CCNC(=O)NCCCC(C)C 273464a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 11087 B11R0.176 CCNC(=O)NCCCC(C)C 512a_100015525214_200000737386 [0,2,0,0,0,0|1,0,0]=3 11088 B11R0.176 CCNC(=O)NCCCC(C)C 512a_200000737386_100015525214 [0,2,0,0,0,0|1,0,0]=3 11089 B11R0.176 CCNC(=O)NCCCN(C)C 2708a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 11090 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 11091 B11R0.176 CCNC(=O)NCCCN(C)C 273464a_102531767803_100015525214 [0,2,0,0,0,0|2,0,0]=4 11092 B11R0.176 CCNC(=O)NCCCN(C)C 512a_100015525214_102531767803 [0,2,0,0,0,0|2,0,0]=4 11093 B11R0.176 CCNC(=O)NCCCN(C)C 512a_102531767803_100015525214 [0,2,0,0,0,0|2,0,0]=4 11094 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 11095 B11R0.176 CCNC(=O)NCCCS(=O)C 2708a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 11096 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 11097 B11R0.176 CCNC(=O)NCCCS(=O)C 273464a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 11098 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_100015525214_200000753449 [0,2,0,0,0,0|2,0,0]=4 11099 B11R0.176 CCNC(=O)NCCCS(=O)C 512a_200000753449_100015525214 [0,2,0,0,0,0|2,0,0]=4 11100 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 11101 B11R0.176 CCNC(=O)NCCOC(C)C 2708a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 11102 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 11103 B11R0.176 CCNC(=O)NCCOC(C)C 273464a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 11104 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100000701111_100015525214 [0,2,0,0,0,0|2,0,0]=4 11105 B11R0.176 CCNC(=O)NCCOC(C)C 512a_100015525214_100000701111 [0,2,0,0,0,0|2,0,0]=4 11106 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 11107 B11R0.176 CCNC(=O)NCCSC(C)C 2708a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 11108 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 11109 B11R0.176 CCNC(=O)NCCSC(C)C 273464a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 11110 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100000731138_100015525214 [0,2,0,0,0,0|2,0,0]=4 11111 B11R0.176 CCNC(=O)NCCSC(C)C 512a_100015525214_100000731138 [0,2,0,0,0,0|2,0,0]=4 11112 B11R0.176 CCOC(=O)/C=C/CNC(C)C 2230a_100138425928_100016267167 [0,2,0,0,0,0|0,0,2]=4 11113 B11R0.176 CCOC(=O)/C=C/CNC(C)C 34a_100138425928_100016267167 [0,2,0,0,0,0|0,0,2]=4 11114 B11R0.176 CCOC(=O)/C=C/COC(C)C 34a_100000212225_100016267167 [0,2,0,0,0,0|0,0,2]=4 11115 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100000210206_100016267167 [0,2,0,0,0,0|0,0,2]=4 11116 B11R0.176 CCOC(=O)/C=C/CSC(C)C 62a_100016267167_100000210206 [0,2,0,0,0,0|0,0,2]=4 11117 B11R0.176 CCOC(=O)C=NNCC(C)O 4a_200000730056_100000742314 [0,2,0,0,0,0|1,0,1]=4 11118 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100000070787_100000750268 [0,2,0,0,0,0|0,0,0]=2 11119 B11R0.176 CCOC(=O)CCCCC(=O)C 1458a_100011217402_200000210301 [0,2,0,0,0,0|0,0,0]=2 11120 B11R0.176 CCOC(=O)CCCCC(=O)[13CH3] 1458a_100011217402_200025704644 [0,2,0,0,0,0|0,0,0]=2 11121 B11R0.176 CCOC(=O)CCCCN(C)C 2230a_100102631434_100000750268 [0,2,0,0,0,0|0,0,0]=2 11122 B11R0.176 CCOC(=O)CCCCN(C)C 269982a_100102631434_100000750268 [0,2,0,0,0,0|0,0,0]=2 11123 B11R0.176 CCOC(=O)CCCNC(=O)C 188690a_100000211256_100015343762 [0,2,0,0,0,0|0,0,1]=3 11124 B11R0.176 CCOC(=O)CCCNC(C)C 2230a_100138425928_100009991533 [0,2,0,0,0,0|0,0,0]=2 11125 B11R0.176 CCOC(=O)CCCNC(C)C 34a_100138425928_100009991533 [0,2,0,0,0,0|0,0,0]=2 11126 B11R0.176 CCOC(=O)CCCOC(C)C 34a_100000212225_100009991533 [0,2,0,0,0,0|0,0,0]=2 11127 B11R0.176 CCOC(=O)CCCOC(C)C 7a_100012001163_100000210206 [0,2,0,0,0,0|0,0,0]=2 11128 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100000210206_100009991533 [0,2,0,0,0,0|0,0,0]=2 11129 B11R0.176 CCOC(=O)CCCSC(C)C 62a_100009991533_100000210206 [0,2,0,0,0,0|0,0,0]=2 11130 B11R0.176 CCOC(=O)CCNCC(=O)N 2230a_100000711301_100011206558 [0,2,0,0,0,0|1,0,1]=4 11131 B11R0.176 CCOC(=O)CCNCC(=O)O 269956a_100016091260_100000765890 [0,2,0,0,0,0|1,0,1]=4 11132 B11R0.176 CCOC(=O)CCNCC(C)C 2230a_100000210953_100011206558 [0,2,0,0,0,0|0,0,0]=2 11133 B11R0.176 CCOC(=O)CCNCC(C)C 34a_100000210953_100000765890 [0,2,0,0,0,0|0,0,0]=2 11134 B11R0.176 CCOC(=O)CCNCC(C)O 2230a_100000210904_100011206558 [0,2,0,0,0,0|0,0,0]=2 11135 B11R0.176 CCOC(=O)CCNCC(C)O 34a_100000210904_100000765890 [0,2,0,0,0,0|0,0,0]=2 11136 B11R0.176 CCOC(=O)CCNCC(F)F 34a_100000765723_100000765890 [0,2,0,0,0,0|1,0,0]=3 11137 B11R0.176 CCOC(=O)CCOCC(=O)C 34a_100000211253_100000765890 [0,2,0,0,0,0|0,0,1]=3 11138 B11R0.176 CCOC(=O)CCOCC(C)Br 34a_100012180447_100000765890 [0,2,0,0,0,0|0,0,0]=2 11139 B11R0.176 CCOC(=O)CCOCC(C)C 34a_100000210257_100000765890 [0,2,0,0,0,0|0,0,0]=2 11140 B11R0.176 CCOC(=O)CCOCC(C)F 34a_100015925927_100000765890 [0,2,0,0,0,0|0,0,0]=2 11141 B11R0.176 CCOC(=O)CCOCC(F)F 34a_100000743014_100000765890 [0,2,0,0,0,0|1,0,0]=3 11142 B11R0.176 CCOC(=O)CCOC[C@@H](C)Cl 34a_100016084084_100000765890 [0,2,0,0,0,0|0,0,0]=2 11143 B11R0.176 CCOC(=O)CCOC[C@@H](C)N 34a_100000737577_100000765890 [0,2,0,0,0,0|0,0,0]=2 11144 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000747473_100000765890 [0,2,0,0,0,0|1,0,1]=4 11145 B11R0.176 CCOC(=O)CCSCC(=O)N 62a_100000765890_100000747473 [0,2,0,0,0,0|1,0,1]=4 11146 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100000765890_100020667443 [0,2,0,0,0,0|1,0,1]=4 11147 B11R0.176 CCOC(=O)CCSCC(=O)[O-] 62a_100020667443_100000765890 [0,2,0,0,0,0|1,0,1]=4 11148 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000210624_100000765890 [0,2,0,0,0,0|0,0,0]=2 11149 B11R0.176 CCOC(=O)CCSCC(C)C 62a_100000765890_100000210760 [0,2,0,0,0,0|0,0,0]=2 11150 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100000765890_100011218427 [0,2,0,0,0,0|0,0,0]=2 11151 B11R0.176 CCOC(=O)CCSCC(C)O 62a_100011218427_100000765890 [0,2,0,0,0,0|0,0,0]=2 11152 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100000765890_100011934356 [0,2,0,0,0,0|1,0,0]=3 11153 B11R0.176 CCOC(=O)CCSCC(F)F 62a_100011934356_100000765890 [0,2,0,0,0,0|1,0,0]=3 11154 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100000765890_100009817552 [0,2,0,0,0,0|0,0,0]=2 11155 B11R0.176 CCOC(=O)CCSC[C@@H](C)O 62a_100009817552_100000765890 [0,2,0,0,0,0|0,0,0]=2 11156 B11R0.176 CCOC(=O)CCSC[N+](=O)[O-] 62a_100000765890_100000761209 [0,2,0,0,0,0|2,0,0]=4 11157 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,2,0,0,0,0|0,0,2]=4 11158 B11R0.176 CCOC(=O)CNCCC(C)O 2230a_200000755665_100000188475 [0,2,0,0,0,0|0,0,0]=2 11159 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,2,0,0,0,0|0,0,2]=4 11160 B11R0.176 CCOC(=O)COCCC(=O)C 1458a_100000070787_100000088970 [0,2,0,0,0,0|0,0,1]=3 11161 B11R0.176 CCOC(=O)COCCC(=O)C 34a_100000759926_100000188475 [0,2,0,0,0,0|0,0,1]=3 11162 B11R0.176 CCOC(=O)COCCC(=O)C 7a_100000759926_100000188475 [0,2,0,0,0,0|0,0,1]=3 11163 B11R0.176 CCOC(=O)COCCC(=O)N 34a_100000757172_100000188475 [0,2,0,0,0,0|1,0,1]=4 11164 B11R0.176 CCOC(=O)COCCC(=O)N 7a_100000757172_100000188475 [0,2,0,0,0,0|1,0,1]=4 11165 B11R0.176 CCOC(=O)COCCC(C)Br 34a_100009893172_100000188475 [0,2,0,0,0,0|0,0,0]=2 11166 B11R0.176 CCOC(=O)COCCC(C)C 34a_100000210254_100000188475 [0,2,0,0,0,0|0,0,0]=2 11167 B11R0.176 CCOC(=O)COCCC(C)C 7a_100000210254_100000188475 [0,2,0,0,0,0|0,0,0]=2 11168 B11R0.176 CCOC(=O)COCCC(F)F 34a_100103093639_100000188475 [0,2,0,0,0,0|1,0,0]=3 11169 B11R0.176 CCOC(=O)COCCN(C)C 2230a_100102631434_100000088970 [0,2,0,0,0,0|1,0,0]=3 11170 B11R0.176 CCOC(=O)COCCN(C)C 269982a_100102631434_100000088970 [0,2,0,0,0,0|1,0,0]=3 11171 B11R0.176 CCOC(=O)COCC[C@@H](C)N 34a_100000706166_100000188475 [0,2,0,0,0,0|0,0,0]=2 11172 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,2,0,0,0,0|0,0,2]=4 11173 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,2,0,0,0,0|0,0,2]=4 11174 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000053229_100000188475 [0,2,0,0,0,0|0,0,1]=3 11175 B11R0.176 CCOC(=O)CSCCC(=O)C 62a_100000188475_100000053229 [0,2,0,0,0,0|0,0,1]=3 11176 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000188475_100000744528 [0,2,0,0,0,0|1,0,1]=4 11177 B11R0.176 CCOC(=O)CSCCC(=O)N 62a_100000744528_100000188475 [0,2,0,0,0,0|1,0,1]=4 11178 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000188475_100000210312 [0,2,0,0,0,0|0,0,0]=2 11179 B11R0.176 CCOC(=O)CSCCC(C)C 62a_100000210312_100000188475 [0,2,0,0,0,0|0,0,0]=2 11180 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100000188475_100012276601 [0,2,0,0,0,0|0,0,0]=2 11181 B11R0.176 CCOC(=O)CSCCC(C)O 62a_100012276601_100000188475 [0,2,0,0,0,0|0,0,0]=2 11182 B11R0.176 CCOC(=O)CSCCN(C)C 62a_100000188475_100000755713 [0,2,0,0,0,0|1,0,0]=3 11183 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000076356_100000188475 [0,2,0,0,0,0|1,0,1]=4 11184 B11R0.176 CCOC(=O)CSCOC(=O)C 62a_100000188475_100000076356 [0,2,0,0,0,0|1,0,1]=4 11185 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000188475_100000709892 [0,2,0,0,0,0|1,0,0]=3 11186 B11R0.176 CCOC(=O)CSCOC(C)C 62a_100000709892_100000188475 [0,2,0,0,0,0|1,0,0]=3 11187 B11R0.176 CCOC(=O)NCCOC(C)C 34a_100000158857_100000210206 [0,2,0,0,0,0|1,0,0]=3 11188 B11R0.176 CCOC(=O)NCCSC(C)C 62a_100000210206_200011445536 [0,2,0,0,0,0|1,0,0]=3 11189 B11R0.176 CCOC(=O)OCSCC(C)C 62a_100000210624_100000075025 [0,2,0,0,0,0|1,0,0]=3 11190 B11R0.176 CCOC(=O)OCSCC(C)O 62a_100011218427_100000075025 [0,2,0,0,0,0|1,0,0]=3 11191 B11R0.176 CCOC(=O)OCSCC(F)F 62a_100011934356_100000075025 [0,2,0,0,0,0|2,0,0]=4 11192 B11R0.176 CCOC(=O)OCSC[C@@H](C)O 62a_100009817552_100000075025 [0,2,0,0,0,0|1,0,0]=3 11193 B11R0.176 CNNC(=O)CCCCC(C)C 22a_100016993582_100011933920 [0,2,0,0,0,0|2,0,0]=4 11194 B11R0.176 CNNC(=O)CCCCN(C)C 22a_100016993582_100000751710 [0,2,0,0,0,0|2,0,0]=4 11195 B11R0.176 CNNC(=O)NCCCC(C)C 273464a_200000737386_100016993582 [0,2,0,0,0,0|2,0,0]=4 11196 B11R0.176 CNNC(=O)NCCCC(C)C 512a_100016993582_200000737386 [0,2,0,0,0,0|2,0,0]=4 11197 B11R0.176 CNNC(=O)NCCCC(C)C 512a_200000737386_100016993582 [0,2,0,0,0,0|2,0,0]=4 11198 B11R0.176 COCC(=O)CCCCC(=O)C 1458a_100000210968_100000735457 [0,2,0,0,0,0|2,0,0]=4 11199 B11R0.176 COCC(=O)CCCCC(C)C 1458a_100000210968_100011216152 [0,2,0,0,0,0|2,0,0]=4 11200 B11R0.176 COCC(=O)NCCCC(C)C 11a_200000737386_100000210968 [0,2,0,0,0,0|2,0,0]=4 11201 B11R0.176 COCC(=O)NCCCC(C)C 1626a_200000737386_100000210968 [0,2,0,0,0,0|2,0,0]=4 11202 B11R0.176 COCC(=O)NCCCC(C)C 240690a_200000737386_100000210968 [0,2,0,0,0,0|2,0,0]=4 11203 B11R0.176 COCC(=O)NCCCC(C)C 527a_200000737386_100000210968 [0,2,0,0,0,0|2,0,0]=4 11204 B11R0.176 CSCC(=O)CCCCC(=O)C 1458a_100000184570_100000735457 [0,2,0,0,0,0|2,0,0]=4 11205 B11R0.176 CSCC(=O)CCCCC(C)C 1458a_100000184570_100011216152 [0,2,0,0,0,0|2,0,0]=4 11206 B11R0.176 CSCC(=O)NCCCC(C)C 11a_200000737386_100000184570 [0,2,0,0,0,0|2,0,0]=4 11207 B11R0.176 CSCC(=O)NCCCC(C)C 1626a_200000737386_100000184570 [0,2,0,0,0,0|2,0,0]=4 11208 B11R0.176 CSCC(=O)NCCCC(C)C 240690a_200000737386_100000184570 [0,2,0,0,0,0|2,0,0]=4 11209 B11R0.176 CSCC(=O)NCCCC(C)C 527a_200000737386_100000184570 [0,2,0,0,0,0|2,0,0]=4 11210 B11R0.176 C[C@@H](N)CCOCC(=O)NCO 34a_100000706166_100000185155 [0,2,0,0,0,0|2,0,0]=4 11211 B11R0.304 CCCCCCC(C)(C)OCC 7a_200011995690_100000210202 [0,2,0,0,0,0|1,0,1]=4 11212 B11R0.304 CCCCCCS(=O)(=O)NCC 270084a_100015525214_100011361803 [0,2,0,0,0,0|2,0,0]=4 11213 B11R0.304 CCCCCCS(=O)(=O)NCC 274078a_100015525214_100011361803 [0,2,0,0,0,0|2,0,0]=4 11214 B11R0.304 CCCCCNS(=O)(=O)CCC 270084a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 11215 B11R0.304 CCCCCNS(=O)(=O)CCC 274078a_100000209983_100000211391 [0,2,0,0,0,0|2,0,0]=4 11216 B11R0.304 CCCCCNS(=O)(=O)CCC 40a_100000209983_100000054278 [0,2,0,0,0,0|2,0,0]=4 11217 B11R0.304 CCCCSC[Si](C)(C)OCC 62a_100000210211_200000065227 [0,2,0,0,0,0|1,1,0]=4 11218 B11R0.304 CCCCSC[Si](C)(C)OCC 62a_200000065227_100000210210 [0,2,0,0,0,0|1,1,0]=4 11219 B11R0.304 CCNCCC[Si](C)(C)OCC 2230a_100015525214_100000070546 [0,2,0,0,0,0|1,1,0]=4 11220 B11R0.304 CCOC(C)(C)CCCCCBr 7a_100010402123_100000210202 [0,2,0,0,0,0|1,0,1]=4 11221 B11R0.304 CCOCCC[Si](C)(C)OCC 34a_100121572206_100000070546 [0,2,0,0,0,0|1,1,0]=4 11222 B11R0.304 CCO[Si](C)(C)CCCSCC 62a_100000070546_100000210202 [0,2,0,0,0,0|1,1,0]=4 11223 B11R0.304 CCO[Si](C)(C)CCCSCC 62a_100000210202_100000070546 [0,2,0,0,0,0|1,1,0]=4 11224 B11R0.1 C=C(C)CC(=O)CC(=O)OCC 1458a_100000243816_100000748629 [0,2,0,0,0,0|0,0,2]=4 11225 B11R0.1 C=C(C)CC(=O)CC(C)CCC 1458a_100000748435_100000748629 [0,2,0,0,0,0|1,0,1]=4 11226 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000220588_100000748629 [0,2,0,0,0,0|1,0,1]=4 11227 B11R0.1 C=C(C)CN(C)CC(=O)OCC 2230a_100000225649_100000188475 [0,2,0,0,0,0|1,0,1]=4 11228 B11R0.1 C=C(C)CN(C)CC(=O)OCC 269982a_100000225649_100000188475 [0,2,0,0,0,0|1,0,1]=4 11229 B11R0.1 C=C(CCC)CC(=O)CC(C)C 1458a_100000138376_100000210624 [0,2,0,0,0,0|1,0,1]=4 11230 B11R0.1 C=C(CCC)CC(=O)CC(C)O 1458a_100000138376_100011218427 [0,2,0,0,0,0|1,0,1]=4 11231 B11R0.1 C=C(CCC)CC(=O)NC(C)C 11a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 11232 B11R0.1 C=C(CCC)CC(=O)NC(C)C 240690a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 11233 B11R0.1 C=C(CCC)CC(=O)NC(C)C 527a_100138425928_100000138376 [0,2,0,0,0,0|1,0,1]=4 11234 B11R0.1 CC(C)OC(=O)CC(=O)CCO 1458a_100011216618_100011215430 [0,2,0,0,0,0|1,0,1]=4 11235 B11R0.1 CC(C)OC(=O)CN(C)CCO 2230a_100000210263_100011215430 [0,2,0,0,0,0|2,0,0]=4 11236 B11R0.1 CC(C)OC(=O)CN(C)CCO 269982a_100000210263_100011215430 [0,2,0,0,0,0|2,0,0]=4 11237 B11R0.1 CCCC(=O)CC(=O)CC(C)C 1458a_100000210554_100000747444 [0,2,0,0,0,0|1,0,1]=4 11238 B11R0.1 CCCC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000747444 [0,2,0,0,0,0|1,0,1]=4 11239 B11R0.1 CCCC(=O)CC(=O)NC(C)C 1458a_100000211992_100000183996 [0,2,0,0,0,0|1,0,1]=4 11240 B11R0.1 CCCC(=O)CC(=O)OC(C)C 1458a_100000211992_100011215430 [0,2,0,0,0,0|0,0,1]=3 11241 B11R0.1 CCCC(=O)CN(C)CC(C)C 2230a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 11242 B11R0.1 CCCC(=O)CN(C)CC(C)C 269982a_100000747067_100000747444 [0,2,0,0,0,0|2,0,0]=4 11243 B11R0.1 CCCC(=O)CN(C)CC(C)O 2230a_100000227577_100000747444 [0,2,0,0,0,0|2,0,0]=4 11244 B11R0.1 CCCC(=O)CN(C)CC(C)O 269982a_100000227577_100000747444 [0,2,0,0,0,0|2,0,0]=4 11245 B11R0.1 CCCC(=O)NC(C)CC(C)C 11a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 11246 B11R0.1 CCCC(=O)NC(C)CC(C)C 1626a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 11247 B11R0.1 CCCC(=O)NC(C)CC(C)C 240690a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 11248 B11R0.1 CCCC(=O)NC(C)CC(C)C 527a_100000692259_100000211992 [0,2,0,0,0,0|2,0,0]=4 11249 B11R0.1 CCCC(C)CC(=O)C=C(C)C 1458a_100000211388_100011216630 [0,2,0,0,0,0|1,0,1]=4 11250 B11R0.1 CCCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100011216630 [0,2,0,0,0,0|1,0,1]=4 11251 B11R0.1 CCCC(C)CC(=O)C=C(C)I 1458a_100025716642_100011216630 [0,2,0,0,0,0|1,0,1]=4 11252 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000210554_100011216630 [0,2,0,0,0,0|1,0,0]=3 11253 B11R0.1 CCCC(C)CC(=O)CC(C)C 1458a_100000748435_100000210624 [0,2,0,0,0,0|1,0,0]=3 11254 B11R0.1 CCCC(C)CC(=O)CC(C)O 1458a_100000748435_100011218427 [0,2,0,0,0,0|1,0,0]=3 11255 B11R0.1 CCCC(C)CC(=O)CC(F)F 1458a_100000748435_100011934356 [0,2,0,0,0,0|2,0,0]=4 11256 B11R0.1 CCCC(C)CC(=O)CN(C)C 1458a_100000750896_100011216630 [0,2,0,0,0,0|2,0,0]=4 11257 B11R0.1 CCCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100011216630 [0,2,0,0,0,0|1,0,0]=3 11258 B11R0.1 CCCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100011216630 [0,2,0,0,0,0|2,0,0]=4 11259 B11R0.1 CCCC(C)CC(=O)NC(C)C 11a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 11260 B11R0.1 CCCC(C)CC(=O)NC(C)C 1626a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 11261 B11R0.1 CCCC(C)CC(=O)NC(C)C 240690a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 11262 B11R0.1 CCCC(C)CC(=O)NC(C)C 527a_100138425928_100000748435 [0,2,0,0,0,0|1,0,0]=3 11263 B11R0.1 CCCC(C)NC(=O)CC(C)C 11a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 11264 B11R0.1 CCCC(C)NC(=O)CC(C)C 1626a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 11265 B11R0.1 CCCC(C)NC(=O)CC(C)C 240690a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 11266 B11R0.1 CCCC(C)NC(=O)CC(C)C 527a_100000741246_100000210554 [0,2,0,0,0,0|2,0,0]=4 11267 B11R0.1 CCCC(C)NC(=O)C[C@@H](C)O 240690a_100000741246_100011933948 [0,2,0,0,0,0|2,0,0]=4 11268 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 11269 B11R0.1 CCCC(C)NC(=O)NC(C)C 2708a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 11270 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100000741246_100138425928 [0,2,0,0,0,0|2,0,0]=4 11271 B11R0.1 CCCC(C)NC(=O)NC(C)C 512a_100138425928_100000741246 [0,2,0,0,0,0|2,0,0]=4 11272 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 11273 B11R0.1 CCCN(C)CC(=O)NC(C)C 2230a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 11274 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000168146_100000210303 [0,2,0,0,0,0|2,0,0]=4 11275 B11R0.1 CCCN(C)CC(=O)NC(C)C 269982a_100000747261_100000183996 [0,2,0,0,0,0|2,0,0]=4 11276 B11R0.1 CCCN(C)CC(=O)OC(C)C 2230a_100000747261_100011215430 [0,2,0,0,0,0|1,0,0]=3 11277 B11R0.1 CCCN(C)CC(=O)OC(C)C 269982a_100000747261_100011215430 [0,2,0,0,0,0|1,0,0]=3 11278 B11R0.1 CCCS(=O)CC(=O)CC(C)C 1458a_100011387404_100000210624 [0,2,0,0,0,0|2,0,0]=4 11279 B11R0.1 CCCS(=O)CC(=O)CC(C)O 1458a_100011387404_100011218427 [0,2,0,0,0,0|2,0,0]=4 11280 B11R0.1 CCCS(=O)CC(=O)NC(C)C 11a_100138425928_100011387404 [0,2,0,0,0,0|2,0,0]=4 11281 B11R0.1 CCCS(=O)CC(=O)NC(C)C 1626a_100138425928_100011387404 [0,2,0,0,0,0|2,0,0]=4 11282 B11R0.1 CCCS(=O)CC(=O)NC(C)C 240690a_100138425928_100011387404 [0,2,0,0,0,0|2,0,0]=4 11283 B11R0.1 CCCS(=O)CC(=O)NC(C)C 527a_100138425928_100011387404 [0,2,0,0,0,0|2,0,0]=4 11284 B11R0.1 CCNC(=O)CC(=O)CC(C)C 1458a_100000210554_100000183381 [0,2,0,0,0,0|1,0,1]=4 11285 B11R0.1 CCNC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000183381 [0,2,0,0,0,0|1,0,1]=4 11286 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000741943_100000210760 [0,2,0,0,0,0|2,0,0]=4 11287 B11R0.1 CCNC(=O)CN(C)CC(C)C 2230a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 11288 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000741943_100000210624 [0,2,0,0,0,0|2,0,0]=4 11289 B11R0.1 CCNC(=O)CN(C)CC(C)C 269982a_100000747067_100000183381 [0,2,0,0,0,0|2,0,0]=4 11290 B11R0.1 CCNC(=O)CN(C)CC(C)C 270004a_100000741943_100000210432 [0,2,0,0,0,0|2,0,0]=4 11291 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000227577_100000183381 [0,2,0,0,0,0|2,0,0]=4 11292 B11R0.1 CCNC(=O)CN(C)CC(C)O 2230a_100000741943_100011218427 [0,2,0,0,0,0|2,0,0]=4 11293 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000227577_100000183381 [0,2,0,0,0,0|2,0,0]=4 11294 B11R0.1 CCNC(=O)CN(C)CC(C)O 269982a_100000741943_100011218427 [0,2,0,0,0,0|2,0,0]=4 11295 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 2230a_100000741943_100009817552 [0,2,0,0,0,0|2,0,0]=4 11296 B11R0.1 CCNC(=O)CN(C)C[C@@H](C)O 269982a_100000741943_100009817552 [0,2,0,0,0,0|2,0,0]=4 11297 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 11298 B11R0.1 CCNC(=O)NC(C)CC(C)C 2708a_100015525214_100000692259 [0,2,0,0,0,0|2,0,0]=4 11299 B11R0.1 CCNC(=O)NC(C)CC(C)C 273464a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 11300 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100000692259_100015525214 [0,2,0,0,0,0|2,0,0]=4 11301 B11R0.1 CCNC(=O)NC(C)CC(C)C 512a_100015525214_100000692259 [0,2,0,0,0,0|2,0,0]=4 11302 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000210554_100000188475 [0,2,0,0,0,0|0,0,1]=3 11303 B11R0.1 CCOC(=O)CC(=O)CC(C)C 1458a_100000243816_100000210624 [0,2,0,0,0,0|0,0,1]=3 11304 B11R0.1 CCOC(=O)CC(=O)CC(C)O 1458a_100000243816_100011218427 [0,2,0,0,0,0|0,0,1]=3 11305 B11R0.1 CCOC(=O)CC(=O)CC(F)F 1458a_100000243816_100011934356 [0,2,0,0,0,0|1,0,1]=4 11306 B11R0.1 CCOC(=O)CC(=O)CN(C)C 1458a_100000750896_100000188475 [0,2,0,0,0,0|1,0,1]=4 11307 B11R0.1 CCOC(=O)CC(=O)CN(C)C 269982a_100102631434_100000210311 [0,2,0,0,0,0|1,0,1]=4 11308 B11R0.1 CCOC(=O)CC(=O)C[C@@H](C)O 1458a_100011933948_100000188475 [0,2,0,0,0,0|0,0,1]=3 11309 B11R0.1 CCOC(=O)CC(=O)C[S+](C)C 1458a_200159257847_100000188475 [0,2,0,0,0,0|1,0,1]=4 11310 B11R0.1 CCOC(=O)CC(=O)NC(C)C 240690a_100138425928_100000243816 [0,2,0,0,0,0|1,0,1]=4 11311 B11R0.1 CCOC(=O)CC(C)NC(=O)C 188690a_100000686176_100015343762 [0,2,0,0,0,0|1,0,1]=4 11312 B11R0.1 CCOC(=O)CC(C)NC(C)C 2230a_100138425928_100009817359 [0,2,0,0,0,0|1,0,0]=3 11313 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100000210206_100009817359 [0,2,0,0,0,0|1,0,0]=3 11314 B11R0.1 CCOC(=O)CC(C)SC(C)C 62a_100009817359_100000210206 [0,2,0,0,0,0|1,0,0]=3 11315 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000220588_100000210760 [0,2,0,0,0,0|1,0,0]=3 11316 B11R0.1 CCOC(=O)CN(C)CC(C)C 2230a_100000747067_100000188475 [0,2,0,0,0,0|1,0,0]=3 11317 B11R0.1 CCOC(=O)CN(C)CC(C)C 269982a_100000747067_100000188475 [0,2,0,0,0,0|1,0,0]=3 11318 B11R0.1 CCOC(=O)CN(C)CC(C)C 270004a_100000220588_100000210432 [0,2,0,0,0,0|1,0,0]=3 11319 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000220588_100011218427 [0,2,0,0,0,0|1,0,0]=3 11320 B11R0.1 CCOC(=O)CN(C)CC(C)O 2230a_100000227577_100000188475 [0,2,0,0,0,0|1,0,0]=3 11321 B11R0.1 CCOC(=O)CN(C)CC(C)O 269982a_100000227577_100000188475 [0,2,0,0,0,0|1,0,0]=3 11322 B11R0.1 CCOC(=O)CN(C)CC(F)F 2230a_100000220588_100011934356 [0,2,0,0,0,0|2,0,0]=4 11323 B11R0.1 CCOC(=O)CN(C)C[C@@H](C)O 2230a_100000220588_100009817552 [0,2,0,0,0,0|1,0,0]=3 11324 B11R0.1 CCOC(=O)C[C@@H](C)OC(C)C 7a_100009816390_100000210206 [0,2,0,0,0,0|1,0,0]=3 11325 B11R0.1 CCOC(=O)C[C@H](O)CN(C)C 269982a_100102631434_100000688340 [0,2,0,0,0,0|1,0,0]=3 11326 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000036008_100000210206 [0,2,0,0,0,0|2,0,0]=4 11327 B11R0.1 CCOC(=O)OC(C)SC(C)C 62a_100000210206_100000036008 [0,2,0,0,0,0|2,0,0]=4 11328 B11R0.1 CCSC(C)CC(=O)CC(C)C 1458a_200011311441_100000210624 [0,2,0,0,0,0|2,0,0]=4 11329 B11R0.1 CCSC(C)CC(=O)CC(C)O 1458a_200011311441_100011218427 [0,2,0,0,0,0|2,0,0]=4 11330 B11R0.1 CCSC(C)CC(=O)NC(C)C 11a_100138425928_200011311441 [0,2,0,0,0,0|2,0,0]=4 11331 B11R0.1 CCSC(C)CC(=O)NC(C)C 1626a_100138425928_200011311441 [0,2,0,0,0,0|2,0,0]=4 11332 B11R0.1 CCSC(C)CC(=O)NC(C)C 240690a_100138425928_200011311441 [0,2,0,0,0,0|2,0,0]=4 11333 B11R0.1 CCSC(C)CC(=O)NC(C)C 527a_100138425928_200011311441 [0,2,0,0,0,0|2,0,0]=4 11334 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000067433_100000210202 [0,2,0,0,0,0|2,0,0]=4 11335 B11R0.1 CCSC(C)OC(=O)OC(C)C 62a_100000210202_100000067433 [0,2,0,0,0,0|2,0,0]=4 11336 B11R0.1 COCC(=O)CC(=O)OC(C)C 1458a_100000210968_100011215430 [0,2,0,0,0,0|1,0,1]=4 11337 B11R0.1 CSCC(=O)CC(=O)OC(C)C 1458a_100000184570_100011215430 [0,2,0,0,0,0|1,0,1]=4 11338 B11R0.177 CCCC(=O)C(C)C(=O)NCC 1458a_100000211992_100000230173 [0,2,0,0,0,0|1,0,1]=4 11339 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100000211992_100011216346 [0,2,0,0,0,0|0,0,1]=3 11340 B11R0.177 CCCC(=O)C(C)C(=O)OCC 1458a_100132301724_100000210303 [0,2,0,0,0,0|0,0,1]=3 11341 B11R0.177 CCCC(=O)C(F)C(=O)OCC 1458a_100000211992_100000760018 [0,2,0,0,0,0|0,0,1]=3 11342 B11R0.177 CCCC(C)C(=O)C(=O)NCC 1458a_200011297158_100000766640 [0,2,0,0,0,0|1,0,1]=4 11343 B11R0.177 CCCN(C)C(=O)C(=O)OCC 11a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 11344 B11R0.177 CCCN(C)C(=O)C(=O)OCC 1626a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 11345 B11R0.177 CCCN(C)C(=O)C(=O)OCC 240690a_100000747261_100014798877 [0,2,0,0,0,0|1,0,1]=4 11346 B11R0.177 CCCN(C)C(C)C(=O)NCC 2230a_100000747261_100000230173 [0,2,0,0,0,0|2,0,0]=4 11347 B11R0.177 CCCN(C)C(C)C(=O)NCC 269982a_100000747261_100000230173 [0,2,0,0,0,0|2,0,0]=4 11348 B11R0.177 CCCN(C)C(C)C(=O)OCC 2230a_100000747261_100011215307 [0,2,0,0,0,0|1,0,0]=3 11349 B11R0.177 CCCN(C)C(C)C(=O)OCC 269982a_100000747261_100011216346 [0,2,0,0,0,0|1,0,0]=3 11350 B11R0.177 CCCN(C)C(F)C(=O)OCC 2230a_100000747261_100000760018 [0,2,0,0,0,0|1,0,0]=3 11351 B11R0.177 CCCN(C)C(F)C(=O)OCC 269982a_100000747261_100000760018 [0,2,0,0,0,0|1,0,0]=3 11352 B11R0.177 CCNC(=O)C(C)C(=O)OCC 11a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 11353 B11R0.177 CCNC(=O)C(C)C(=O)OCC 240690a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 11354 B11R0.177 CCNC(=O)C(C)C(=O)OCC 527a_100015525214_100132301724 [0,2,0,0,0,0|1,0,1]=4 11355 B11R0.177 CCNC(C)C(=O)C(=O)OCC 2230a_100015525214_100010256902 [0,2,0,0,0,0|1,0,1]=4 11356 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100000210202_100010256902 [0,2,0,0,0,0|1,0,1]=4 11357 B11R0.177 CCOC(=O)C(=O)C(C)SCC 62a_100010256902_100000210202 [0,2,0,0,0,0|1,0,1]=4 11358 B11R0.177 CCOC(=O)C(C)C(=O)CCF 1458a_100132301724_100011217306 [0,2,0,0,0,0|1,0,1]=4 11359 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100011216618_100011216346 [0,2,0,0,0,0|1,0,1]=4 11360 B11R0.177 CCOC(=O)C(C)C(=O)CCO 1458a_100132301724_100000211926 [0,2,0,0,0,0|1,0,1]=4 11361 B11R0.177 CCOC(=O)C(C)C(=O)COC 1458a_100000210968_100011216346 [0,2,0,0,0,0|1,0,1]=4 11362 B11R0.177 CCOC(=O)C(C)C(=O)CSC 1458a_100000184570_100011216346 [0,2,0,0,0,0|1,0,1]=4 11363 B11R0.177 CCOC(=O)C(C)N(C)CCO 2230a_100000210263_100011215307 [0,2,0,0,0,0|2,0,0]=4 11364 B11R0.177 CCOC(=O)C(C)N(C)CCO 269982a_100000210263_100011216346 [0,2,0,0,0,0|2,0,0]=4 11365 B11R0.177 CCOC(=O)C(F)C(=O)CCO 1458a_100011216618_100000760018 [0,2,0,0,0,0|1,0,1]=4 11366 B11R0.177 CCOC(=O)C(F)C(=O)COC 1458a_100000210968_100000760018 [0,2,0,0,0,0|1,0,1]=4 11367 B11R0.177 CCOC(=O)C(F)C(=O)CSC 1458a_100000184570_100000760018 [0,2,0,0,0,0|1,0,1]=4 11368 B11R0.177 CCOC(=O)C(F)N(C)CCO 2230a_100000210263_100000760018 [0,2,0,0,0,0|2,0,0]=4 11369 B11R0.177 CCOC(=O)C(F)N(C)CCO 269982a_100000210263_100000760018 [0,2,0,0,0,0|2,0,0]=4 11370 B11R0.182 CCCC(=O)CN(CC)CCC 2230a_100000226822_100000747444 [0,2,0,0,0,0|2,0,0]=4 11371 B11R0.182 CCCC(=O)CN(CC)CCC 269982a_100000226822_100000747444 [0,2,0,0,0,0|2,0,0]=4 11372 B11R0.182 CCCC(=O)NC(CC)CCC 11a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 11373 B11R0.182 CCCC(=O)NC(CC)CCC 1626a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 11374 B11R0.182 CCCC(=O)NC(CC)CCC 240690a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 11375 B11R0.182 CCCC(=O)NC(CC)CCC 527a_100000747048_100000211992 [0,2,0,0,0,0|2,0,0]=4 11376 B11R0.182 CCCC(=O)N[C@H](CO)CCC 240690a_100000732646_100000211992 [0,2,0,0,0,0|2,0,0]=4 11377 B11R0.182 CCCC(=O)N[C@H](CO)CCC 527a_100000732646_100000211992 [0,2,0,0,0,0|2,0,0]=4 11378 B11R0.182 CCCC(CC(=O)OCC)OC 7a_100011216533_200000210301 [0,2,0,0,0,0|0,0,0]=2 11379 B11R0.182 CCCC(CC(=O)OCC)O[13CH3] 7a_100011216533_200025704644 [0,2,0,0,0,0|0,0,0]=2 11380 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 11381 B11R0.182 CCCC(CC)NC(=O)NCC 2708a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 11382 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 11383 B11R0.182 CCCC(CC)NC(=O)NCC 273464a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 11384 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100000747048_100015525214 [0,2,0,0,0,0|2,0,0]=4 11385 B11R0.182 CCCC(CC)NC(=O)NCC 512a_100015525214_100000747048 [0,2,0,0,0,0|2,0,0]=4 11386 B11R0.182 CCCN(CC)CC(=O)NCC 2230a_100000226822_100000183381 [0,2,0,0,0,0|2,0,0]=4 11387 B11R0.182 CCCN(CC)CC(=O)NCC 269982a_100000226822_100000183381 [0,2,0,0,0,0|2,0,0]=4 11388 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000220607_100000210303 [0,2,0,0,0,0|1,0,0]=3 11389 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000221057_100000210202 [0,2,0,0,0,0|1,0,0]=3 11390 B11R0.182 CCCN(CC)CC(=O)OCC 2230a_100000226822_100000188475 [0,2,0,0,0,0|1,0,0]=3 11391 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000220607_100000210303 [0,2,0,0,0,0|1,0,0]=3 11392 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000221057_100000204670 [0,2,0,0,0,0|1,0,0]=3 11393 B11R0.182 CCCN(CC)CC(=O)OCC 269982a_100000226822_100000188475 [0,2,0,0,0,0|1,0,0]=3 11394 B11R0.182 CCCN(CF)CC(=O)OCC 269982a_100000221057_100015361967 [0,2,0,0,0,0|1,0,0]=3 11395 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 2708a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 11396 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100000732646_100015525214 [0,2,0,0,0,0|2,0,0]=4 11397 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 273464a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 11398 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100000732646_100015525214 [0,2,0,0,0,0|2,0,0]=4 11399 B11R0.182 CCC[C@@H](CO)NC(=O)NCC 512a_100015525214_100000732646 [0,2,0,0,0,0|2,0,0]=4 11400 B11R0.182 CCOC(=O)CN(CC)CCF 2230a_100000220607_100011217306 [0,2,0,0,0,0|2,0,0]=4 11401 B11R0.182 CCOC(=O)CN(CC)CCF 269982a_100000220607_100011217306 [0,2,0,0,0,0|2,0,0]=4 11402 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000210973_100000188475 [0,2,0,0,0,0|2,0,0]=4 11403 B11R0.182 CCOC(=O)CN(CC)CCO 2230a_100000220607_100000211926 [0,2,0,0,0,0|2,0,0]=4 11404 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000210973_100000188475 [0,2,0,0,0,0|2,0,0]=4 11405 B11R0.182 CCOC(=O)CN(CC)CCO 269982a_100000220607_100000211926 [0,2,0,0,0,0|2,0,0]=4 11406 B11R0.182 CCOC(=O)CN(CC)COC 2230a_100000220607_100000766300 [0,2,0,0,0,0|2,0,0]=4 11407 B11R0.182 CCOC(=O)CN(CC)COC 269982a_100000220607_100000766300 [0,2,0,0,0,0|2,0,0]=4 11408 B11R0.182 CCOC(=O)CN(CC)CSC 2230a_100000220607_100011218213 [0,2,0,0,0,0|2,0,0]=4 11409 B11R0.182 CCOC(=O)CN(CC)CSC 269982a_100000220607_100011218213 [0,2,0,0,0,0|2,0,0]=4 11410 B11R0.182 CCOC(=O)C[C@@H](CCl)OCC 7a_100000688340_100000210202 [0,2,0,0,0,0|1,0,0]=3 11411 B11R0.182 CCOC(=O)C[C@@H](CCl)OCF 7a_100000688340_100015361967 [0,2,0,0,0,0|2,0,0]=4 11412 B11R0.187 C/C=C(\C)/C(=O)CC(C)CCC 1458a_100020587367_100011216630 [0,2,0,0,0,0|1,0,1]=4 11413 B11R0.187 C=C(CCC)CC(=O)C(C)CC 1458a_100000138376_100000758301 [0,2,0,0,0,0|1,0,1]=4 11414 B11R0.187 C=C(CCC)CC(=O)N(C)CC 11a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 11415 B11R0.187 C=C(CCC)CC(=O)N(C)CC 240690a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 11416 B11R0.187 C=C(CCC)CC(=O)N(C)CC 527a_100000225621_100000138376 [0,2,0,0,0,0|1,0,1]=4 11417 B11R0.187 CCCC(=O)CC(=O)C(C)CC 1458a_100011192722_100000747444 [0,2,0,0,0,0|1,0,1]=4 11418 B11R0.187 CCCC(=O)CC(=O)C(O)CC 1458a_100011196387_100000747444 [0,2,0,0,0,0|1,0,1]=4 11419 B11R0.187 CCCC(=O)CC(=O)N(C)CC 1458a_100000211992_100011894763 [0,2,0,0,0,0|1,0,1]=4 11420 B11R0.187 CCCC(=O)CC(C)N(C)CC 1458a_200015187196_100000210303 [0,2,0,0,0,0|2,0,0]=4 11421 B11R0.187 CCCC(=O)CN(C)C(C)CC 2230a_100000741768_100000747444 [0,2,0,0,0,0|2,0,0]=4 11422 B11R0.187 CCCC(=O)CN(C)C(C)CC 269982a_100000741768_100000747444 [0,2,0,0,0,0|2,0,0]=4 11423 B11R0.187 CCCC(C)CC(=O)C(=O)NC 1458a_100011218921_100011216630 [0,2,0,0,0,0|2,0,0]=4 11424 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100000748435_100000758301 [0,2,0,0,0,0|1,0,0]=3 11425 B11R0.187 CCCC(C)CC(=O)C(C)CC 1458a_100011192722_100011216630 [0,2,0,0,0,0|1,0,0]=3 11426 B11R0.187 CCCC(C)CC(=O)C(C)OC 1458a_100000743197_100011216630 [0,2,0,0,0,0|2,0,0]=4 11427 B11R0.187 CCCC(C)CC(=O)C(C)SC 1458a_100000149566_100011216630 [0,2,0,0,0,0|2,0,0]=4 11428 B11R0.187 CCCC(C)CC(=O)C(O)CC 1458a_100011196387_100011216630 [0,2,0,0,0,0|1,0,0]=3 11429 B11R0.187 CCCC(C)CC(=O)C(O)CO 1458a_100011215603_100011216630 [0,2,0,0,0,0|2,0,0]=4 11430 B11R0.187 CCCC(C)CC(=O)N(C)CC 11a_100000225621_100000748435 [0,2,0,0,0,0|1,0,0]=3 11431 B11R0.187 CCCC(C)CC(=O)N(C)CC 1626a_100000225621_100000748435 [0,2,0,0,0,0|1,0,0]=3 11432 B11R0.187 CCCC(C)CC(=O)N(C)CC 240690a_100000225621_100000748435 [0,2,0,0,0,0|1,0,0]=3 11433 B11R0.187 CCCC(C)CC(=O)N(C)CC 527a_100000225621_100000748435 [0,2,0,0,0,0|1,0,0]=3 11434 B11R0.187 CCCC(C)NC(=O)C(C)CC 11a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 11435 B11R0.187 CCCC(C)NC(=O)C(C)CC 1626a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 11436 B11R0.187 CCCC(C)NC(=O)C(C)CC 240690a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 11437 B11R0.187 CCCC(C)NC(=O)C(C)CC 527a_100000741246_100011192722 [0,2,0,0,0,0|2,0,0]=4 11438 B11R0.187 CCCC(C)NC(=O)C(O)CC 240690a_100000741246_100011196387 [0,2,0,0,0,0|2,0,0]=4 11439 B11R0.187 CCCC(C)NC(=O)N(C)CC 2708a_100000741246_100000225621 [0,2,0,0,0,0|2,0,0]=4 11440 B11R0.187 CCCC(C)NC(=O)N(C)CC 273464a_100000741246_100000225621 [0,2,0,0,0,0|2,0,0]=4 11441 B11R0.187 CCCN(C)CC(=O)N(C)CC 2230a_100000747261_100000738999 [0,2,0,0,0,0|2,0,0]=4 11442 B11R0.187 CCCN(C)CC(=O)N(C)CC 269982a_100000747261_100000738999 [0,2,0,0,0,0|2,0,0]=4 11443 B11R0.187 CCCS(=O)CC(=O)C(C)CC 1458a_100011387404_100000758301 [0,2,0,0,0,0|2,0,0]=4 11444 B11R0.187 CCCS(=O)CC(=O)N(C)CC 11a_100000225621_100011387404 [0,2,0,0,0,0|2,0,0]=4 11445 B11R0.187 CCCS(=O)CC(=O)N(C)CC 1626a_100000225621_100011387404 [0,2,0,0,0,0|2,0,0]=4 11446 B11R0.187 CCCS(=O)CC(=O)N(C)CC 240690a_100000225621_100011387404 [0,2,0,0,0,0|2,0,0]=4 11447 B11R0.187 CCCS(=O)CC(=O)N(C)CC 527a_100000225621_100011387404 [0,2,0,0,0,0|2,0,0]=4 11448 B11R0.187 CCNC(=O)CC(=O)C(C)CC 1458a_100011192722_100000183381 [0,2,0,0,0,0|1,0,1]=4 11449 B11R0.187 CCNC(=O)CC(=O)C(O)CC 1458a_100011196387_100000183381 [0,2,0,0,0,0|1,0,1]=4 11450 B11R0.187 CCNC(=O)CC(C)N(C)CC 240690a_100015525214_200015187196 [0,2,0,0,0,0|2,0,0]=4 11451 B11R0.187 CCNC(=O)CC(C)N(C)CC 527a_100015525214_200015187196 [0,2,0,0,0,0|2,0,0]=4 11452 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741768_100000183381 [0,2,0,0,0,0|2,0,0]=4 11453 B11R0.187 CCNC(=O)CN(C)C(C)CC 2230a_100000741943_100000758301 [0,2,0,0,0,0|2,0,0]=4 11454 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741768_100000183381 [0,2,0,0,0,0|2,0,0]=4 11455 B11R0.187 CCNC(=O)CN(C)C(C)CC 269982a_100000741943_100000758301 [0,2,0,0,0,0|2,0,0]=4 11456 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100000243816_100000758301 [0,2,0,0,0,0|0,0,1]=3 11457 B11R0.187 CCOC(=O)CC(=O)C(C)CC 1458a_100011192722_100000188475 [0,2,0,0,0,0|0,0,1]=3 11458 B11R0.187 CCOC(=O)CC(=O)C(C)OC 1458a_100000743197_100000188475 [0,2,0,0,0,0|1,0,1]=4 11459 B11R0.187 CCOC(=O)CC(=O)C(C)SC 1458a_100000149566_100000188475 [0,2,0,0,0,0|1,0,1]=4 11460 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_100010090504_200000210301 [0,2,0,0,0,0|1,0,1]=4 11461 B11R0.187 CCOC(=O)CC(=O)C(C)SC 62a_200000210301_100010090504 [0,2,0,0,0,0|1,0,1]=4 11462 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_100010090504_200025704644 [0,2,0,0,0,0|1,0,1]=4 11463 B11R0.187 CCOC(=O)CC(=O)C(C)S[13CH3] 62a_200025704644_100010090504 [0,2,0,0,0,0|1,0,1]=4 11464 B11R0.187 CCOC(=O)CC(=O)C(O)CC 1458a_100011196387_100000188475 [0,2,0,0,0,0|0,0,1]=3 11465 B11R0.187 CCOC(=O)CC(=O)C(O)CO 1458a_100011215603_100000188475 [0,2,0,0,0,0|1,0,1]=4 11466 B11R0.187 CCOC(=O)CC(=O)N(C)CC 240690a_100000225621_100000243816 [0,2,0,0,0,0|1,0,1]=4 11467 B11R0.187 CCOC(=O)CC(C)C(=O)CC 1458a_100000210414_100009817359 [0,2,0,0,0,0|0,0,1]=3 11468 B11R0.187 CCOC(=O)CC(C)C(=O)CO 1458a_100000210174_100009817359 [0,2,0,0,0,0|1,0,1]=4 11469 B11R0.187 CCOC(=O)CC(C)N(C)CC 2230a_100000225621_100009817359 [0,2,0,0,0,0|1,0,0]=3 11470 B11R0.187 CCOC(=O)CC(C)N(C)CC 269982a_100000225621_100009817359 [0,2,0,0,0,0|1,0,0]=3 11471 B11R0.187 CCOC(=O)CN(C)C(=O)CC 11a_100000220588_100000210414 [0,2,0,0,0,0|1,0,1]=4 11472 B11R0.187 CCOC(=O)CN(C)C(=O)CC 1626a_100000220588_100000210414 [0,2,0,0,0,0|1,0,1]=4 11473 B11R0.187 CCOC(=O)CN(C)C(=O)CC 240690a_100000220588_100000210414 [0,2,0,0,0,0|1,0,1]=4 11474 B11R0.187 CCOC(=O)CN(C)C(=O)CC 527a_100000220588_100000210414 [0,2,0,0,0,0|1,0,1]=4 11475 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000220588_100000758301 [0,2,0,0,0,0|1,0,0]=3 11476 B11R0.187 CCOC(=O)CN(C)C(C)CC 2230a_100000741768_100000188475 [0,2,0,0,0,0|1,0,0]=3 11477 B11R0.187 CCOC(=O)CN(C)C(C)CC 269982a_100000741768_100000188475 [0,2,0,0,0,0|1,0,0]=3 11478 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000220588_100012180447 [0,2,0,0,0,0|2,0,0]=4 11479 B11R0.187 CCOC(=O)CN(C)C(C)CO 2230a_100000693034_100000188475 [0,2,0,0,0,0|2,0,0]=4 11480 B11R0.187 CCOC(=O)CN(C)C(C)CO 269982a_100000693034_100000188475 [0,2,0,0,0,0|2,0,0]=4 11481 B11R0.187 CCOC(=O)OC(C)N(C)CC 269982a_100000225621_100000036008 [0,2,0,0,0,0|2,0,0]=4 11482 B11R0.187 CCSC(C)CC(=O)C(C)CC 1458a_200011311441_100000758301 [0,2,0,0,0,0|2,0,0]=4 11483 B11R0.187 CCSC(C)CC(=O)N(C)CC 11a_100000225621_200011311441 [0,2,0,0,0,0|2,0,0]=4 11484 B11R0.187 CCSC(C)CC(=O)N(C)CC 1626a_100000225621_200011311441 [0,2,0,0,0,0|2,0,0]=4 11485 B11R0.187 CCSC(C)CC(=O)N(C)CC 240690a_100000225621_200011311441 [0,2,0,0,0,0|2,0,0]=4 11486 B11R0.187 CCSC(C)CC(=O)N(C)CC 527a_100000225621_200011311441 [0,2,0,0,0,0|2,0,0]=4 11487 B11R0.353 CCCC(=O)CC(C)(O)CCC 1458a_100011667670_100000210303 [0,2,0,0,0,0|1,0,0]=3 11488 B11R0.353 CCCC(C)(O)CC(=O)CCF 1458a_100011667670_100011217306 [0,2,0,0,0,0|2,0,0]=4 11489 B11R0.353 CCCC(C)(O)CC(=O)CCO 1458a_100011667670_100000211926 [0,2,0,0,0,0|2,0,0]=4 11490 B11R0.353 CCCC(C)(O)CC(=O)NCC 240690a_100015525214_100011667670 [0,2,0,0,0,0|1,0,0]=3 11491 B11R0.353 CCCC(C)(O)CC(=O)NCC 527a_100015525214_100011667670 [0,2,0,0,0,0|1,0,0]=3 11492 B11R0.353 CCCC(C)(O)CC(=O)NNC 22a_100016993582_100011667670 [0,2,0,0,0,0|2,0,0]=4 11493 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 270084a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 11494 B11R0.353 CCNS(=O)(=O)CC(=O)OCC 274078a_100015525214_100000738689 [0,2,0,0,0,0|2,0,0]=4 11495 B11R0.353 CCOC(=O)CC(C)(C)OCC 7a_100000765344_100000210202 [0,2,0,0,0,0|1,0,0]=3 11496 B11R0.353 CCOC(=O)CC(C)(C)OCF 7a_100000765344_100015361967 [0,2,0,0,0,0|2,0,0]=4 11497 B11R0.6 C=C(C)CC(=O)CCCC(C)C 1458a_100011216857_100000748629 [0,2,0,0,0,0|1,0,1]=4 11498 B11R0.6 C=C(C)COCC(=O)OC(C)C 34a_100000210245_100011215430 [0,2,0,0,0,0|1,0,1]=4 11499 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100000748629_100011215430 [0,2,0,0,0,0|1,0,1]=4 11500 B11R0.6 C=C(C)CSCC(=O)OC(C)C 62a_100011215430_100000211660 [0,2,0,0,0,0|1,0,1]=4 11501 B11R0.6 CC(=CC(=O)CCCC(C)C)C 1458a_100000211388_100011214892 [0,2,0,0,0,0|1,0,1]=4 11502 B11R0.6 CC(=CC(=O)CCCC(C)C)Cl 1458a_200042562850_100011214892 [0,2,0,0,0,0|1,0,1]=4 11503 B11R0.6 CC(=CC(=O)CCCC(C)C)I 1458a_100025716642_100011214892 [0,2,0,0,0,0|1,0,1]=4 11504 B11R0.6 CC(=CC(=O)CCCC(C)O)C 1458a_100000211388_200000718107 [0,2,0,0,0,0|1,0,1]=4 11505 B11R0.6 CC(=CC(=O)CCCC(C)O)Cl 1458a_200042562850_200000718107 [0,2,0,0,0,0|1,0,1]=4 11506 B11R0.6 CC(=CC(=O)CCCC(C)O)I 1458a_100025716642_200000718107 [0,2,0,0,0,0|1,0,1]=4 11507 B11R0.6 CC(=O)CCCC(=O)CC(C)C 1458a_100000210554_100011215641 [0,2,0,0,0,0|1,0,1]=4 11508 B11R0.6 CC(=O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215641 [0,2,0,0,0,0|1,0,1]=4 11509 B11R0.6 CC(=O)COCC(=O)OC(C)C 34a_100000211253_100011215430 [0,2,0,0,0,0|1,0,1]=4 11510 B11R0.6 CC(Br)COCC(=O)NC(C)C 34a_100012180447_100000183996 [0,2,0,0,0,0|2,0,0]=4 11511 B11R0.6 CC(Br)COCC(=O)OC(C)C 34a_100012180447_100011215430 [0,2,0,0,0,0|1,0,0]=3 11512 B11R0.6 CC(C)CC(=O)CCCC(C)O 1458a_100000210554_200000718107 [0,2,0,0,0,0|1,0,0]=3 11513 B11R0.6 CC(C)CC(=O)CCCN(C)C 1458a_100000210554_100000695564 [0,2,0,0,0,0|2,0,0]=4 11514 B11R0.6 CC(C)CC(=O)CCOC(C)C 1458a_100000210554_100000211751 [0,2,0,0,0,0|2,0,0]=4 11515 B11R0.6 CC(C)CC(=O)CCSC(C)C 1458a_100000210554_100000730970 [0,2,0,0,0,0|2,0,0]=4 11516 B11R0.6 CC(C)CC(=O)NCCC(C)O 240690a_200000755665_100000210554 [0,2,0,0,0,0|2,0,0]=4 11517 B11R0.6 CC(C)CC(=O)NCCC(C)O 527a_200000755665_100000210554 [0,2,0,0,0,0|2,0,0]=4 11518 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100000210554_100011214892 [0,2,0,0,0,0|1,0,0]=3 11519 B11R0.6 CC(C)CCCC(=O)CC(C)C 1458a_100011216857_100000210624 [0,2,0,0,0,0|1,0,0]=3 11520 B11R0.6 CC(C)CCCC(=O)CC(C)O 1458a_100011216857_100011218427 [0,2,0,0,0,0|1,0,0]=3 11521 B11R0.6 CC(C)CCCC(=O)CC(F)F 1458a_100011216857_100011934356 [0,2,0,0,0,0|2,0,0]=4 11522 B11R0.6 CC(C)CCCC(=O)CN(C)C 1458a_100000750896_100011214892 [0,2,0,0,0,0|2,0,0]=4 11523 B11R0.6 CC(C)CCCC(=O)C[C@@H](C)O 1458a_100011933948_100011214892 [0,2,0,0,0,0|1,0,0]=3 11524 B11R0.6 CC(C)CCCC(=O)C[S+](C)C 1458a_200159257847_100011214892 [0,2,0,0,0,0|2,0,0]=4 11525 B11R0.6 CC(C)CCCC(=O)NC(C)C 11a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 11526 B11R0.6 CC(C)CCCC(=O)NC(C)C 1626a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 11527 B11R0.6 CC(C)CCCC(=O)NC(C)C 240690a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 11528 B11R0.6 CC(C)CCCC(=O)NC(C)C 527a_100138425928_100011216857 [0,2,0,0,0,0|1,0,0]=3 11529 B11R0.6 CC(C)CCCC(C)OC(C)C 34a_200011218570_100000210206 [0,2,0,0,0,0|1,0,1]=4 11530 B11R0.6 CC(C)CCCC(C)OC(C)C 7a_200011218570_100000210206 [0,2,0,0,0,0|1,0,1]=4 11531 B11R0.6 CC(C)CCNC(=O)CC(C)C 11a_100000210545_100000210554 [0,2,0,0,0,0|2,0,0]=4 11532 B11R0.6 CC(C)CCNC(=O)CC(C)C 1626a_100000210545_100000210554 [0,2,0,0,0,0|2,0,0]=4 11533 B11R0.6 CC(C)CCNC(=O)CC(C)C 240690a_100000210545_100000210554 [0,2,0,0,0,0|2,0,0]=4 11534 B11R0.6 CC(C)CCNC(=O)CC(C)C 527a_100000210545_100000210554 [0,2,0,0,0,0|2,0,0]=4 11535 B11R0.6 CC(C)CCNC(=O)C[C@@H](C)O 240690a_100000210545_100011933948 [0,2,0,0,0,0|2,0,0]=4 11536 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100000210545_100138425928 [0,2,0,0,0,0|2,0,0]=4 11537 B11R0.6 CC(C)CCNC(=O)NC(C)C 2708a_100138425928_100000210545 [0,2,0,0,0,0|2,0,0]=4 11538 B11R0.6 CC(C)CCNC(=O)NC(C)C 273464a_100138425928_100000210545 [0,2,0,0,0,0|2,0,0]=4 11539 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100000210545_100138425928 [0,2,0,0,0,0|2,0,0]=4 11540 B11R0.6 CC(C)CCNC(=O)NC(C)C 512a_100138425928_100000210545 [0,2,0,0,0,0|2,0,0]=4 11541 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000168517_100000210760 [0,2,0,0,0,0|2,0,0]=4 11542 B11R0.6 CC(C)CNCC(=O)NC(C)C 2230a_100000210953_100000183996 [0,2,0,0,0,0|2,0,0]=4 11543 B11R0.6 CC(C)CNCC(=O)NC(C)C 270004a_100000168517_100000210432 [0,2,0,0,0,0|2,0,0]=4 11544 B11R0.6 CC(C)CNCC(=O)NC(C)C 34a_100000210953_100000183996 [0,2,0,0,0,0|2,0,0]=4 11545 B11R0.6 CC(C)CNCC(=O)OC(C)C 2230a_100000210953_100011215430 [0,2,0,0,0,0|1,0,0]=3 11546 B11R0.6 CC(C)CNCC(=O)OC(C)C 34a_100000210953_100011215430 [0,2,0,0,0,0|1,0,0]=3 11547 B11R0.6 CC(C)COCC(=O)CC(C)C 1458a_100011223364_100000210624 [0,2,0,0,0,0|2,0,0]=4 11548 B11R0.6 CC(C)COCC(=O)CC(C)O 1458a_100011223364_100011218427 [0,2,0,0,0,0|2,0,0]=4 11549 B11R0.6 CC(C)COCC(=O)NC(C)C 11a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 11550 B11R0.6 CC(C)COCC(=O)NC(C)C 1626a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 11551 B11R0.6 CC(C)COCC(=O)NC(C)C 240690a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 11552 B11R0.6 CC(C)COCC(=O)NC(C)C 34a_100000210257_100000183996 [0,2,0,0,0,0|2,0,0]=4 11553 B11R0.6 CC(C)COCC(=O)NC(C)C 527a_100138425928_100011223364 [0,2,0,0,0,0|2,0,0]=4 11554 B11R0.6 CC(C)COCC(=O)OC(C)C 34a_100000210257_100011215430 [0,2,0,0,0,0|1,0,0]=3 11555 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000183996_100000210760 [0,2,0,0,0,0|2,0,0]=4 11556 B11R0.6 CC(C)CSCC(=O)NC(C)C 62a_100000210624_100000183996 [0,2,0,0,0,0|2,0,0]=4 11557 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100000210624_100011215430 [0,2,0,0,0,0|1,0,0]=3 11558 B11R0.6 CC(C)CSCC(=O)OC(C)C 62a_100011215430_100000210760 [0,2,0,0,0,0|1,0,0]=3 11559 B11R0.6 CC(C)NC(=O)CCCN(C)C 11a_100138425928_100000740757 [0,2,0,0,0,0|2,0,0]=4 11560 B11R0.6 CC(C)NC(=O)CCCN(C)C 240690a_100138425928_100000740757 [0,2,0,0,0,0|2,0,0]=4 11561 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000210206_100000737564 [0,2,0,0,0,0|2,0,0]=4 11562 B11R0.6 CC(C)NC(=O)CCSC(C)C 62a_100000737564_100000210206 [0,2,0,0,0,0|2,0,0]=4 11563 B11R0.6 CC(C)NC(=O)CNC[C@@H](C)O 2230a_100000168517_100009817552 [0,2,0,0,0,0|2,0,0]=4 11564 B11R0.6 CC(C)NC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183996 [0,2,0,0,0,0|2,0,0]=4 11565 B11R0.6 CC(C)NC(=O)COC[C@@H](C)N 34a_100000737577_100000183996 [0,2,0,0,0,0|2,0,0]=4 11566 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100000183996_100009817552 [0,2,0,0,0,0|2,0,0]=4 11567 B11R0.6 CC(C)NC(=O)CSC[C@@H](C)O 62a_100009817552_100000183996 [0,2,0,0,0,0|2,0,0]=4 11568 B11R0.6 CC(C)NCCC(=O)NC(C)C 2230a_100138425928_100000737564 [0,2,0,0,0,0|2,0,0]=4 11569 B11R0.6 CC(C)NCCC(=O)OC(C)C 2230a_100138425928_100000760027 [0,2,0,0,0,0|1,0,0]=3 11570 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000210206_100000760027 [0,2,0,0,0,0|1,0,0]=3 11571 B11R0.6 CC(C)OC(=O)CCSC(C)C 62a_100000760027_100000210206 [0,2,0,0,0,0|1,0,0]=3 11572 B11R0.6 CC(C)OC(=O)CNCC(F)F 34a_100000765723_100011215430 [0,2,0,0,0,0|2,0,0]=4 11573 B11R0.6 CC(C)OC(=O)COCC(F)F 34a_100000743014_100011215430 [0,2,0,0,0,0|2,0,0]=4 11574 B11R0.6 CC(C)OC(=O)COC[C@@H](C)Cl 34a_100016084084_100011215430 [0,2,0,0,0,0|1,0,0]=3 11575 B11R0.6 CC(C)OC(=O)COC[C@@H](C)N 34a_100000737577_100011215430 [0,2,0,0,0,0|1,0,0]=3 11576 B11R0.6 CC(C)OC(=O)CSCC(F)F 62a_100011215430_100011934356 [0,2,0,0,0,0|2,0,0]=4 11577 B11R0.6 CC(C)OC(=O)CSCC(F)F 62a_100011934356_100011215430 [0,2,0,0,0,0|2,0,0]=4 11578 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100009817552_100011215430 [0,2,0,0,0,0|1,0,0]=3 11579 B11R0.6 CC(C)OC(=O)CSC[C@@H](C)O 62a_100011215430_100009817552 [0,2,0,0,0,0|1,0,0]=3 11580 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000003507_100000210206 [0,2,0,0,0,0|2,0,0]=4 11581 B11R0.6 CC(C)OC(=O)OCSC(C)C 62a_100000210206_100000003507 [0,2,0,0,0,0|2,0,0]=4 11582 B11R0.6 CC(C)OCCC(=O)C[C@@H](C)O 1458a_100011933948_100000211751 [0,2,0,0,0,0|2,0,0]=4 11583 B11R0.6 CC(C)SCCC(=O)C[C@@H](C)O 1458a_100011933948_100000730970 [0,2,0,0,0,0|2,0,0]=4 11584 B11R0.6 CC(F)COCC(=O)NC(C)C 34a_100015925927_100000183996 [0,2,0,0,0,0|2,0,0]=4 11585 B11R0.6 CC(F)COCC(=O)OC(C)C 34a_100015925927_100011215430 [0,2,0,0,0,0|1,0,0]=3 11586 B11R0.6 CC(O)CCCC(=O)CN(C)C 1458a_100000750896_200000718107 [0,2,0,0,0,0|2,0,0]=4 11587 B11R0.6 CC(O)CCCC(=O)C[C@@H](C)O 1458a_100011933948_200000718107 [0,2,0,0,0,0|1,0,0]=3 11588 B11R0.6 CC(O)CCCC(=O)C[S+](C)C 1458a_200159257847_200000718107 [0,2,0,0,0,0|2,0,0]=4 11589 B11R0.6 CC(O)CCCC(=O)NC(C)C 1626a_100138425928_100000761597 [0,2,0,0,0,0|1,0,0]=3 11590 B11R0.6 CC(O)CCCC(=O)NC(C)C 527a_100138425928_100000761597 [0,2,0,0,0,0|1,0,0]=3 11591 B11R0.6 CC(O)CCNC(=O)C[C@@H](C)O 240690a_200000755665_100011933948 [0,2,0,0,0,0|2,0,0]=4 11592 B11R0.6 CC(O)CCNC(=O)NC(C)C 2708a_100138425928_200000755665 [0,2,0,0,0,0|2,0,0]=4 11593 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_100138425928_200000755665 [0,2,0,0,0,0|2,0,0]=4 11594 B11R0.6 CC(O)CCNC(=O)NC(C)C 512a_200000755665_100138425928 [0,2,0,0,0,0|2,0,0]=4 11595 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000168517_100011218427 [0,2,0,0,0,0|2,0,0]=4 11596 B11R0.6 CC(O)CNCC(=O)NC(C)C 2230a_100000210904_100000183996 [0,2,0,0,0,0|2,0,0]=4 11597 B11R0.6 CC(O)CNCC(=O)NC(C)C 34a_100000210904_100000183996 [0,2,0,0,0,0|2,0,0]=4 11598 B11R0.6 CC(O)CNCC(=O)OC(C)C 2230a_100000210904_100011215430 [0,2,0,0,0,0|1,0,0]=3 11599 B11R0.6 CC(O)CNCC(=O)OC(C)C 34a_100000210904_100011215430 [0,2,0,0,0,0|1,0,0]=3 11600 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100000183996_100011218427 [0,2,0,0,0,0|2,0,0]=4 11601 B11R0.6 CC(O)CSCC(=O)NC(C)C 62a_100011218427_100000183996 [0,2,0,0,0,0|2,0,0]=4 11602 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011215430_100011218427 [0,2,0,0,0,0|1,0,0]=3 11603 B11R0.6 CC(O)CSCC(=O)OC(C)C 62a_100011218427_100011215430 [0,2,0,0,0,0|1,0,0]=3 11604 B11R0.6 C[C@@H](O)CC(=O)CCCN(C)C 1458a_100011933948_100000695564 [0,2,0,0,0,0|2,0,0]=4 11605 B11R0.59 C=C(C)COC(C)C(=O)OCC 34a_100000210245_100011216346 [0,2,0,0,0,0|1,0,1]=4 11606 B11R0.59 C=C(C)COC(F)C(=O)OCC 34a_100000210245_100000760018 [0,2,0,0,0,0|1,0,1]=4 11607 B11R0.59 C=C(C)CO[C@@H](C)C(=O)OCC 7a_100000751109_100000748629 [0,2,0,0,0,0|1,0,1]=4 11608 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100000748629_100011216346 [0,2,0,0,0,0|1,0,1]=4 11609 B11R0.59 C=C(C)CSC(C)C(=O)OCC 62a_100011216346_100000211660 [0,2,0,0,0,0|1,0,1]=4 11610 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000748629_100000760018 [0,2,0,0,0,0|1,0,1]=4 11611 B11R0.59 C=C(C)CSC(F)C(=O)OCC 62a_100000760018_100000211660 [0,2,0,0,0,0|1,0,1]=4 11612 B11R0.59 C=C(CNC(C)C)C(=O)OCC 34a_100138425928_100000755967 [0,2,0,0,0,0|1,0,1]=4 11613 B11R0.59 C=C(COC(C)C)C(=O)OCC 34a_100000212225_100000755967 [0,2,0,0,0,0|1,0,1]=4 11614 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000210206_100000755967 [0,2,0,0,0,0|1,0,1]=4 11615 B11R0.59 C=C(CSC(C)C)C(=O)OCC 62a_100000755967_100000210206 [0,2,0,0,0,0|1,0,1]=4 11616 B11R0.59 CC#CC(=O)C(C)CCC(C)C 1458a_100000763181_100011261404 [0,2,0,0,0,0|1,0,1]=4 11617 B11R0.59 CC(C)CCC(C)C(=O)CCO 1458a_100011216618_100011261404 [0,2,0,0,0,0|2,0,0]=4 11618 B11R0.59 CC=CC(=O)C(C)CCC(C)C 1458a_100000210699_100011261404 [0,2,0,0,0,0|1,0,1]=4 11619 B11R0.59 CCCC(=O)C(C)CCC(C)C 1458a_100000211992_100011261404 [0,2,0,0,0,0|1,0,0]=3 11620 B11R0.59 CCCC(=O)N(C)CCC(C)C 11a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 11621 B11R0.59 CCCC(=O)N(C)CCC(C)C 1626a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 11622 B11R0.59 CCCC(=O)N(C)CCC(C)C 240690a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 11623 B11R0.59 CCCC(=O)N(C)CCC(C)C 527a_100000742789_100000211992 [0,2,0,0,0,0|2,0,0]=4 11624 B11R0.59 CCNC(=O)C(=O)CCC(C)C 1458a_200011297158_100000210312 [0,2,0,0,0,0|1,0,1]=4 11625 B11R0.59 CCNC(=O)C(=O)CCC(C)O 1458a_200011297158_100012276601 [0,2,0,0,0,0|1,0,1]=4 11626 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 11627 B11R0.59 CCNC(=O)C(C)NCC(C)C 2230a_100000736553_100000210760 [0,2,0,0,0,0|2,0,0]=4 11628 B11R0.59 CCNC(=O)C(C)NCC(C)C 270004a_100000736553_100000210432 [0,2,0,0,0,0|2,0,0]=4 11629 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000210953_100000230173 [0,2,0,0,0,0|2,0,0]=4 11630 B11R0.59 CCNC(=O)C(C)NCC(C)C 34a_100000736553_100000210624 [0,2,0,0,0,0|2,0,0]=4 11631 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000210904_100000230173 [0,2,0,0,0,0|2,0,0]=4 11632 B11R0.59 CCNC(=O)C(C)NCC(C)O 2230a_100000736553_100011218427 [0,2,0,0,0,0|2,0,0]=4 11633 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000210904_100000230173 [0,2,0,0,0,0|2,0,0]=4 11634 B11R0.59 CCNC(=O)C(C)NCC(C)O 34a_100000736553_100011218427 [0,2,0,0,0,0|2,0,0]=4 11635 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 2230a_100000736553_100009817552 [0,2,0,0,0,0|2,0,0]=4 11636 B11R0.59 CCNC(=O)C(C)NC[C@@H](C)O 34a_100000736553_100009817552 [0,2,0,0,0,0|2,0,0]=4 11637 B11R0.59 CCNC(=O)C(C)OCC(C)Br 34a_100012180447_100000230173 [0,2,0,0,0,0|2,0,0]=4 11638 B11R0.59 CCNC(=O)C(C)OCC(C)C 34a_100000210257_100000230173 [0,2,0,0,0,0|2,0,0]=4 11639 B11R0.59 CCNC(=O)C(C)OCC(C)F 34a_100015925927_100000230173 [0,2,0,0,0,0|2,0,0]=4 11640 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100000230173 [0,2,0,0,0,0|2,0,0]=4 11641 B11R0.59 CCNC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100000230173 [0,2,0,0,0,0|2,0,0]=4 11642 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000210624_100000230173 [0,2,0,0,0,0|2,0,0]=4 11643 B11R0.59 CCNC(=O)C(C)SCC(C)C 62a_100000230173_100000210760 [0,2,0,0,0,0|2,0,0]=4 11644 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100000230173_100011218427 [0,2,0,0,0,0|2,0,0]=4 11645 B11R0.59 CCNC(=O)C(C)SCC(C)O 62a_100011218427_100000230173 [0,2,0,0,0,0|2,0,0]=4 11646 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100000230173_100009817552 [0,2,0,0,0,0|2,0,0]=4 11647 B11R0.59 CCNC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100000230173 [0,2,0,0,0,0|2,0,0]=4 11648 B11R0.59 CCNC(=O)N(C)CCC(C)C 2708a_100015525214_100000742789 [0,2,0,0,0,0|2,0,0]=4 11649 B11R0.59 CCNC(=O)N(C)CCC(C)C 273464a_100015525214_100000742789 [0,2,0,0,0,0|2,0,0]=4 11650 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000210206_100000211299 [0,2,0,0,0,0|1,0,1]=4 11651 B11R0.59 CCOC(=O)C(=O)CSC(C)C 62a_100000211299_100000210206 [0,2,0,0,0,0|1,0,1]=4 11652 B11R0.59 CCOC(=O)C(=O)NCC(C)C 11a_100000210953_100014798877 [0,2,0,0,0,0|1,0,1]=4 11653 B11R0.59 CCOC(=O)C(=O)NCC(C)C 1626a_100000210953_100014798877 [0,2,0,0,0,0|1,0,1]=4 11654 B11R0.59 CCOC(=O)C(=O)NCC(C)C 240690a_100000210953_100014798877 [0,2,0,0,0,0|1,0,1]=4 11655 B11R0.59 CCOC(=O)C(=O)NCC(C)O 11a_100000210904_100014798877 [0,2,0,0,0,0|1,0,1]=4 11656 B11R0.59 CCOC(=O)C(=O)NCC(C)O 240690a_100000210904_100014798877 [0,2,0,0,0,0|1,0,1]=4 11657 B11R0.59 CCOC(=O)C(C)NCC(C)C 2230a_100000210953_100011215307 [0,2,0,0,0,0|1,0,0]=3 11658 B11R0.59 CCOC(=O)C(C)NCC(C)C 34a_100000210953_100011216346 [0,2,0,0,0,0|1,0,0]=3 11659 B11R0.59 CCOC(=O)C(C)NCC(C)O 2230a_100000210904_100011215307 [0,2,0,0,0,0|1,0,0]=3 11660 B11R0.59 CCOC(=O)C(C)NCC(C)O 34a_100000210904_100011216346 [0,2,0,0,0,0|1,0,0]=3 11661 B11R0.59 CCOC(=O)C(C)NCC(F)F 34a_100000765723_100011216346 [0,2,0,0,0,0|2,0,0]=4 11662 B11R0.59 CCOC(=O)C(C)OCC(=O)C 34a_100000211253_100011216346 [0,2,0,0,0,0|1,0,1]=4 11663 B11R0.59 CCOC(=O)C(C)OCC(C)Br 34a_100012180447_100011216346 [0,2,0,0,0,0|1,0,0]=3 11664 B11R0.59 CCOC(=O)C(C)OCC(C)C 34a_100000210257_100011216346 [0,2,0,0,0,0|1,0,0]=3 11665 B11R0.59 CCOC(=O)C(C)OCC(C)F 34a_100015925927_100011216346 [0,2,0,0,0,0|1,0,0]=3 11666 B11R0.59 CCOC(=O)C(C)OCC(F)F 34a_100000743014_100011216346 [0,2,0,0,0,0|2,0,0]=4 11667 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)Cl 34a_100016084084_100011216346 [0,2,0,0,0,0|1,0,0]=3 11668 B11R0.59 CCOC(=O)C(C)OC[C@@H](C)N 34a_100000737577_100011216346 [0,2,0,0,0,0|1,0,0]=3 11669 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100000210624_100011216346 [0,2,0,0,0,0|1,0,0]=3 11670 B11R0.59 CCOC(=O)C(C)SCC(C)C 62a_100011216346_100000210760 [0,2,0,0,0,0|1,0,0]=3 11671 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011216346_100011218427 [0,2,0,0,0,0|1,0,0]=3 11672 B11R0.59 CCOC(=O)C(C)SCC(C)O 62a_100011218427_100011216346 [0,2,0,0,0,0|1,0,0]=3 11673 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011216346_100011934356 [0,2,0,0,0,0|2,0,0]=4 11674 B11R0.59 CCOC(=O)C(C)SCC(F)F 62a_100011934356_100011216346 [0,2,0,0,0,0|2,0,0]=4 11675 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100011216346 [0,2,0,0,0,0|1,0,0]=3 11676 B11R0.59 CCOC(=O)C(C)SC[C@@H](C)O 62a_100011216346_100009817552 [0,2,0,0,0,0|1,0,0]=3 11677 B11R0.59 CCOC(=O)C(F)NCC(C)C 2230a_100000210953_100000760018 [0,2,0,0,0,0|1,0,0]=3 11678 B11R0.59 CCOC(=O)C(F)NCC(C)C 34a_100000210953_100000760018 [0,2,0,0,0,0|1,0,0]=3 11679 B11R0.59 CCOC(=O)C(F)NCC(C)O 2230a_100000210904_100000760018 [0,2,0,0,0,0|1,0,0]=3 11680 B11R0.59 CCOC(=O)C(F)NCC(C)O 34a_100000210904_100000760018 [0,2,0,0,0,0|1,0,0]=3 11681 B11R0.59 CCOC(=O)C(F)NCC(F)F 34a_100000765723_100000760018 [0,2,0,0,0,0|2,0,0]=4 11682 B11R0.59 CCOC(=O)C(F)OCC(=O)C 34a_100000211253_100000760018 [0,2,0,0,0,0|1,0,1]=4 11683 B11R0.59 CCOC(=O)C(F)OCC(C)Br 34a_100012180447_100000760018 [0,2,0,0,0,0|1,0,0]=3 11684 B11R0.59 CCOC(=O)C(F)OCC(C)C 34a_100000210257_100000760018 [0,2,0,0,0,0|1,0,0]=3 11685 B11R0.59 CCOC(=O)C(F)OCC(C)F 34a_100015925927_100000760018 [0,2,0,0,0,0|1,0,0]=3 11686 B11R0.59 CCOC(=O)C(F)OCC(F)F 34a_100000743014_100000760018 [0,2,0,0,0,0|2,0,0]=4 11687 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)Cl 34a_100016084084_100000760018 [0,2,0,0,0,0|1,0,0]=3 11688 B11R0.59 CCOC(=O)C(F)OC[C@@H](C)N 34a_100000737577_100000760018 [0,2,0,0,0,0|1,0,0]=3 11689 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000210624_100000760018 [0,2,0,0,0,0|1,0,0]=3 11690 B11R0.59 CCOC(=O)C(F)SCC(C)C 62a_100000760018_100000210760 [0,2,0,0,0,0|1,0,0]=3 11691 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100000760018_100011218427 [0,2,0,0,0,0|1,0,0]=3 11692 B11R0.59 CCOC(=O)C(F)SCC(C)O 62a_100011218427_100000760018 [0,2,0,0,0,0|1,0,0]=3 11693 B11R0.59 CCOC(=O)C(F)SCC(F)F 62a_100000760018_100011934356 [0,2,0,0,0,0|2,0,0]=4 11694 B11R0.59 CCOC(=O)C(F)SCC(F)F 62a_100011934356_100000760018 [0,2,0,0,0,0|2,0,0]=4 11695 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100000760018_100009817552 [0,2,0,0,0,0|1,0,0]=3 11696 B11R0.59 CCOC(=O)C(F)SC[C@@H](C)O 62a_100009817552_100000760018 [0,2,0,0,0,0|1,0,0]=3 11697 B11R0.59 CCOC(=O)[C@H](C)OCC(C)C 7a_100000751109_100000210760 [0,2,0,0,0,0|1,0,0]=3 11698 B11R0.59 CCOC(=O)[C@H](C)OCC(C)O 7a_100000751109_100011218427 [0,2,0,0,0,0|1,0,0]=3 11699 B11R0.59 CCOC(=O)[C@H](C)OCC(F)F 7a_100000751109_100011934356 [0,2,0,0,0,0|2,0,0]=4 11700 B11R0.59 CCOC(=O)[C@H](C)OC[C@@H](C)O 7a_100000751109_100009817552 [0,2,0,0,0,0|1,0,0]=3 11701 B11R0.59 CCSC(=O)[C@H](C)NCC(C)C 2230a_100103168634_100000210760 [0,2,0,0,0,0|1,1,0]=4 11702 B11R0.59 CCSC(=O)[C@H](C)NCC(C)O 2230a_100103168634_100011218427 [0,2,0,0,0,0|1,1,0]=4 11703 B11R0.59 CCSC(=O)[C@H](C)NC[C@@H](C)O 2230a_100103168634_100009817552 [0,2,0,0,0,0|1,1,0]=4 11704 B11R0.59 COCC(=O)C(C)CCC(C)C 1458a_100000210968_100011261404 [0,2,0,0,0,0|2,0,0]=4 11705 B11R0.59 CSCC(=O)C(C)CCC(C)C 1458a_100000184570_100011261404 [0,2,0,0,0,0|2,0,0]=4 11706 B11R0.104 CCOC(C)(C)CCCC(C)C 7a_100011215742_100000210202 [0,2,0,0,0,0|1,0,1]=4 11707 B11R0.141 CCCC(=O)CCN(C)C(C)C 1458a_100015184040_100000210303 [0,2,0,0,0,0|2,0,0]=4 11708 B11R0.141 CCCC(=O)CNC(C)C(C)C 2230a_100000211541_100000747444 [0,2,0,0,0,0|2,0,0]=4 11709 B11R0.141 CCCC(=O)COC(C)C(C)C 7a_100000748068_100000747444 [0,2,0,0,0,0|2,0,0]=4 11710 B11R0.141 CCCC(=O)NCC(O)C(C)C 11a_100000759067_100000211992 [0,2,0,0,0,0|2,0,0]=4 11711 B11R0.141 CCCC(=O)NCC(O)C(C)C 240690a_100000759067_100000211992 [0,2,0,0,0,0|2,0,0]=4 11712 B11R0.141 CCCC(=O)NCC(O)C(C)C 527a_100000759067_100000211992 [0,2,0,0,0,0|2,0,0]=4 11713 B11R0.141 CCNC(=O)CCC(=O)C(C)C 1458a_100000199579_100000210206 [0,2,0,0,0,0|1,0,1]=4 11714 B11R0.141 CCNC(=O)CCN(C)C(C)C 240690a_100015525214_100015184040 [0,2,0,0,0,0|2,0,0]=4 11715 B11R0.141 CCNC(=O)CCN(C)C(C)C 269982a_200000211004_100000737597 [0,2,0,0,0,0|2,0,0]=4 11716 B11R0.141 CCNC(=O)CNC(C)C(C)C 2230a_100000211541_100000183381 [0,2,0,0,0,0|2,0,0]=4 11717 B11R0.141 CCNC(=O)COC(C)C(C)C 7a_100000748068_100000183381 [0,2,0,0,0,0|2,0,0]=4 11718 B11R0.141 CCNC(=O)NCC(O)C(C)C 2708a_100015525214_100000759067 [0,2,0,0,0,0|2,0,0]=4 11719 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100000759067_100015525214 [0,2,0,0,0,0|2,0,0]=4 11720 B11R0.141 CCNC(=O)NCC(O)C(C)C 273464a_100015525214_100000759067 [0,2,0,0,0,0|2,0,0]=4 11721 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100000759067_100015525214 [0,2,0,0,0,0|2,0,0]=4 11722 B11R0.141 CCNC(=O)NCC(O)C(C)C 512a_100015525214_100000759067 [0,2,0,0,0,0|2,0,0]=4 11723 B11R0.141 CCOC(=O)CCC(=O)C(C)C 1458a_100000183558_100000210206 [0,2,0,0,0,0|0,0,1]=3 11724 B11R0.141 CCOC(=O)CCC(=O)N(C)C 11a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 11725 B11R0.141 CCOC(=O)CCC(=O)N(C)C 1626a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 11726 B11R0.141 CCOC(=O)CCC(=O)N(C)C 240690a_100102631434_100000183558 [0,2,0,0,0,0|1,0,1]=4 11727 B11R0.141 CCOC(=O)CCC(C)C(=O)C 1458a_100000070787_100000748298 [0,2,0,0,0,0|0,0,1]=3 11728 B11R0.141 CCOC(=O)CCC(C)N(C)C 2230a_100102631434_100000748298 [0,2,0,0,0,0|1,0,0]=3 11729 B11R0.141 CCOC(=O)CCC(C)N(C)C 269982a_100102631434_100000748298 [0,2,0,0,0,0|1,0,0]=3 11730 B11R0.141 CCOC(=O)CCN(C)C(=O)C 11a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 11731 B11R0.141 CCOC(=O)CCN(C)C(=O)C 1626a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 11732 B11R0.141 CCOC(=O)CCN(C)C(=O)C 240690a_100000745921_100015343762 [0,2,0,0,0,0|1,0,1]=4 11733 B11R0.141 CCOC(=O)CCN(C)C(=O)C 527a_100000745921_100103153847 [0,2,0,0,0,0|1,0,1]=4 11734 B11R0.141 CCOC(=O)CCN(C)C(C)C 2230a_100000745921_100000210206 [0,2,0,0,0,0|1,0,0]=3 11735 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100000745921_100000210206 [0,2,0,0,0,0|1,0,0]=3 11736 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_100011277713_200000210301 [0,2,0,0,0,0|1,0,0]=3 11737 B11R0.141 CCOC(=O)CCN(C)C(C)C 269982a_200000211004_100011206558 [0,2,0,0,0,0|1,0,0]=3 11738 B11R0.141 CCOC(=O)CCN([13CH3])C(C)C 269982a_100011277713_200025704644 [0,2,0,0,0,0|1,0,0]=3 11739 B11R0.141 CCOC(=O)CNC(=O)C(C)C 188690a_100000741813_100000210198 [0,2,0,0,0,0|1,0,1]=4 11740 B11R0.141 CCOC(=O)CNC(=O)C(C)F 188690a_100000741813_100000062450 [0,2,0,0,0,0|1,0,1]=4 11741 B11R0.141 CCOC(=O)CNC(=O)[C@@H](C)O 188690a_100000741813_100000717761 [0,2,0,0,0,0|1,0,1]=4 11742 B11R0.141 CCOC(=O)CNC(=O)[C@H](C)O 188690a_100000741813_217856618621 [0,2,0,0,0,0|1,0,1]=4 11743 B11R0.141 CCOC(=O)CNC(C)C(C)C 2230a_100000211541_100000188475 [0,2,0,0,0,0|1,0,0]=3 11744 B11R0.141 CCOC(=O)COC(C)C(=O)C 34a_100000212229_100000188475 [0,2,0,0,0,0|1,0,1]=4 11745 B11R0.141 CCOC(=O)COC(C)C(C)C 7a_100000748068_100000188475 [0,2,0,0,0,0|1,0,0]=3 11746 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100000188475_100009814033 [0,2,0,0,0,0|1,0,1]=4 11747 B11R0.141 CCOC(=O)CSC(C)C(=O)C 62a_100009814033_100000188475 [0,2,0,0,0,0|1,0,1]=4 11748 B11R0.141 CCOC(=O)NCC(=O)C(C)C 1458a_100000190774_100000210206 [0,2,0,0,0,0|1,0,1]=4 11749 B11R0.145 C/C=C(\C)/C(=O)CCCC(C)C 1458a_100020587367_100011214892 [0,2,0,0,0,0|1,0,1]=4 11750 B11R0.145 C/C=C(\C)/C(=O)CCCC(C)O 1458a_100020587367_200000718107 [0,2,0,0,0,0|1,0,1]=4 11751 B11R0.145 CC(C)CCCC(=O)C(O)CO 1458a_100011215603_100011214892 [0,2,0,0,0,0|2,0,0]=4 11752 B11R0.145 CC(O)CCCC(=O)C(O)CO 1458a_100011215603_200000718107 [0,2,0,0,0,0|2,0,0]=4 11753 B11R0.145 CCC(C)C(=O)CCCC(=O)C 1458a_100011192722_100011215641 [0,2,0,0,0,0|1,0,1]=4 11754 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011192722_100011214892 [0,2,0,0,0,0|1,0,0]=3 11755 B11R0.145 CCC(C)C(=O)CCCC(C)C 1458a_100011216857_100000758301 [0,2,0,0,0,0|1,0,0]=3 11756 B11R0.145 CCC(C)C(=O)CCCC(C)O 1458a_100011192722_200000718107 [0,2,0,0,0,0|1,0,0]=3 11757 B11R0.145 CCC(C)C(=O)CCCN(C)C 1458a_100011192722_100000695564 [0,2,0,0,0,0|2,0,0]=4 11758 B11R0.145 CCC(C)C(=O)CCOC(C)C 1458a_100011192722_100000211751 [0,2,0,0,0,0|2,0,0]=4 11759 B11R0.145 CCC(C)C(=O)CCSC(C)C 1458a_100011192722_100000730970 [0,2,0,0,0,0|2,0,0]=4 11760 B11R0.145 CCC(C)C(=O)COCC(C)C 1458a_100011223364_100000758301 [0,2,0,0,0,0|2,0,0]=4 11761 B11R0.145 CCC(C)C(=O)NCCC(C)C 11a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 11762 B11R0.145 CCC(C)C(=O)NCCC(C)C 1626a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 11763 B11R0.145 CCC(C)C(=O)NCCC(C)C 240690a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 11764 B11R0.145 CCC(C)C(=O)NCCC(C)C 527a_100000210545_100011192722 [0,2,0,0,0,0|2,0,0]=4 11765 B11R0.145 CCC(C)C(=O)NCCC(C)O 240690a_200000755665_100011192722 [0,2,0,0,0,0|2,0,0]=4 11766 B11R0.145 CCC(C)C(=O)NCCC(C)O 527a_200000755665_100011192722 [0,2,0,0,0,0|2,0,0]=4 11767 B11R0.145 CCC(O)C(=O)CCCC(=O)C 1458a_100011196387_100011215641 [0,2,0,0,0,0|1,0,1]=4 11768 B11R0.145 CCC(O)C(=O)CCCC(C)C 1458a_100011196387_100011214892 [0,2,0,0,0,0|1,0,0]=3 11769 B11R0.145 CCC(O)C(=O)CCCC(C)O 1458a_100011196387_200000718107 [0,2,0,0,0,0|1,0,0]=3 11770 B11R0.145 CCC(O)C(=O)CCCN(C)C 1458a_100011196387_100000695564 [0,2,0,0,0,0|2,0,0]=4 11771 B11R0.145 CCC(O)C(=O)CCOC(C)C 1458a_100011196387_100000211751 [0,2,0,0,0,0|2,0,0]=4 11772 B11R0.145 CCC(O)C(=O)CCSC(C)C 1458a_100011196387_100000730970 [0,2,0,0,0,0|2,0,0]=4 11773 B11R0.145 CCC(O)C(=O)NCCC(C)C 240690a_100000210545_100011196387 [0,2,0,0,0,0|2,0,0]=4 11774 B11R0.145 CCC(O)C(=O)NCCC(C)O 240690a_200000755665_100011196387 [0,2,0,0,0,0|2,0,0]=4 11775 B11R0.145 CCN(C)C(=O)CCCC(C)C 11a_100000225621_100011216857 [0,2,0,0,0,0|1,0,0]=3 11776 B11R0.145 CCN(C)C(=O)CCCC(C)C 1626a_100000225621_100011216857 [0,2,0,0,0,0|1,0,0]=3 11777 B11R0.145 CCN(C)C(=O)CCCC(C)C 240690a_100000225621_100011216857 [0,2,0,0,0,0|1,0,0]=3 11778 B11R0.145 CCN(C)C(=O)CCCC(C)C 527a_100000225621_100011216857 [0,2,0,0,0,0|1,0,0]=3 11779 B11R0.145 CCN(C)C(=O)CCCC(C)O 1626a_100000225621_100000761597 [0,2,0,0,0,0|1,0,0]=3 11780 B11R0.145 CCN(C)C(=O)CCCC(C)O 527a_100000225621_100000761597 [0,2,0,0,0,0|1,0,0]=3 11781 B11R0.145 CCN(C)C(=O)CCCN(C)C 11a_100000225621_100000740757 [0,2,0,0,0,0|2,0,0]=4 11782 B11R0.145 CCN(C)C(=O)CCCN(C)C 240690a_100000225621_100000740757 [0,2,0,0,0,0|2,0,0]=4 11783 B11R0.145 CCN(C)C(=O)CNCC(C)C 2230a_100000210953_100000738999 [0,2,0,0,0,0|2,0,0]=4 11784 B11R0.145 CCN(C)C(=O)CNCC(C)C 34a_100000210953_100000738999 [0,2,0,0,0,0|2,0,0]=4 11785 B11R0.145 CCN(C)C(=O)CNCC(C)O 2230a_100000210904_100000738999 [0,2,0,0,0,0|2,0,0]=4 11786 B11R0.145 CCN(C)C(=O)CNCC(C)O 34a_100000210904_100000738999 [0,2,0,0,0,0|2,0,0]=4 11787 B11R0.145 CCN(C)C(=O)COCC(C)Br 34a_100012180447_100000738999 [0,2,0,0,0,0|2,0,0]=4 11788 B11R0.145 CCN(C)C(=O)COCC(C)C 11a_100000225621_100011223364 [0,2,0,0,0,0|2,0,0]=4 11789 B11R0.145 CCN(C)C(=O)COCC(C)C 1626a_100000225621_100011223364 [0,2,0,0,0,0|2,0,0]=4 11790 B11R0.145 CCN(C)C(=O)COCC(C)C 240690a_100000225621_100011223364 [0,2,0,0,0,0|2,0,0]=4 11791 B11R0.145 CCN(C)C(=O)COCC(C)C 34a_100000210257_100000738999 [0,2,0,0,0,0|2,0,0]=4 11792 B11R0.145 CCN(C)C(=O)COCC(C)C 527a_100000225621_100011223364 [0,2,0,0,0,0|2,0,0]=4 11793 B11R0.145 CCN(C)C(=O)COCC(C)F 34a_100015925927_100000738999 [0,2,0,0,0,0|2,0,0]=4 11794 B11R0.145 CCN(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000738999 [0,2,0,0,0,0|2,0,0]=4 11795 B11R0.145 CCN(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000738999 [0,2,0,0,0,0|2,0,0]=4 11796 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000210624_100000738999 [0,2,0,0,0,0|2,0,0]=4 11797 B11R0.145 CCN(C)C(=O)CSCC(C)C 62a_100000738999_100000210760 [0,2,0,0,0,0|2,0,0]=4 11798 B11R0.145 CCN(C)C(=O)CSCC(C)O 62a_100000738999_100011218427 [0,2,0,0,0,0|2,0,0]=4 11799 B11R0.145 CCN(C)C(=O)CSCC(C)O 62a_100011218427_100000738999 [0,2,0,0,0,0|2,0,0]=4 11800 B11R0.145 CCN(C)C(=O)CSC[C@@H](C)O 62a_100000738999_100009817552 [0,2,0,0,0,0|2,0,0]=4 11801 B11R0.145 CCN(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000738999 [0,2,0,0,0,0|2,0,0]=4 11802 B11R0.145 CCN(C)C(=O)NCCC(C)C 2708a_100000210545_100000225621 [0,2,0,0,0,0|2,0,0]=4 11803 B11R0.145 CCN(C)C(=O)NCCC(C)C 273464a_100000210545_100000225621 [0,2,0,0,0,0|2,0,0]=4 11804 B11R0.145 CCN(C)C(=O)NCCC(C)O 273464a_200000755665_100000225621 [0,2,0,0,0,0|2,0,0]=4 11805 B11R0.145 CNC(=O)C(=O)CCCC(C)C 1458a_100011218921_100011214892 [0,2,0,0,0,0|2,0,0]=4 11806 B11R0.145 CNC(=O)C(=O)CCCC(C)O 1458a_100011218921_200000718107 [0,2,0,0,0,0|2,0,0]=4 11807 B11R0.145 COC(C)C(=O)CCCC(C)C 1458a_100000743197_100011214892 [0,2,0,0,0,0|2,0,0]=4 11808 B11R0.145 COC(C)C(=O)CCCC(C)O 1458a_100000743197_200000718107 [0,2,0,0,0,0|2,0,0]=4 11809 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [0,2,0,0,0,0|2,0,0]=4 11810 B11R0.145 CSC(C)C(=O)CCCC(C)O 1458a_100000149566_200000718107 [0,2,0,0,0,0|2,0,0]=4 11811 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100000692101_100011214892 [0,2,0,0,0,0|1,0,1]=4 11812 B11R0.147 C#CCCC(=O)CCCC(C)C 1458a_100011216857_100000753159 [0,2,0,0,0,0|1,0,1]=4 11813 B11R0.147 C#CCCC(=O)CCCC(C)O 1458a_100000692101_200000718107 [0,2,0,0,0,0|1,0,1]=4 11814 B11R0.147 C#CCNC(=O)CCCC(C)C 11a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 11815 B11R0.147 C#CCNC(=O)CCCC(C)C 1626a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 11816 B11R0.147 C#CCNC(=O)CCCC(C)C 240690a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 11817 B11R0.147 C#CCNC(=O)CCCC(C)C 527a_100000212058_100011216857 [0,2,0,0,0,0|1,0,1]=4 11818 B11R0.147 C#CCNC(=O)CCCC(C)O 1626a_100000212058_100000761597 [0,2,0,0,0,0|1,0,1]=4 11819 B11R0.147 C#CCNC(=O)CCCC(C)O 527a_100000212058_100000761597 [0,2,0,0,0,0|1,0,1]=4 11820 B11R0.147 C/C=C/CC(=O)CCCC(C)C 1458a_100011216857_100102629194 [0,2,0,0,0,0|1,0,1]=4 11821 B11R0.147 C=C(C)COCC(=O)OCCC 34a_100000210245_200011215008 [0,2,0,0,0,0|1,0,1]=4 11822 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_100000748629_200011215008 [0,2,0,0,0,0|1,0,1]=4 11823 B11R0.147 C=C(C)CSCC(=O)OCCC 62a_200011215008_100000211660 [0,2,0,0,0,0|1,0,1]=4 11824 B11R0.147 C=C(CNCC(C)C)OCOC 34a_100000210953_100000042856 [0,2,0,0,0,0|2,0,0]=4 11825 B11R0.147 C=C(CNCC(C)O)OCOC 34a_100000210904_100000042856 [0,2,0,0,0,0|2,0,0]=4 11826 B11R0.147 C=C(COCC(C)Br)OCOC 34a_100012180447_100000042856 [0,2,0,0,0,0|2,0,0]=4 11827 B11R0.147 C=C(COCC(C)C)OCOC 34a_100000210257_100000042856 [0,2,0,0,0,0|2,0,0]=4 11828 B11R0.147 C=C(COCC(C)F)OCOC 34a_100015925927_100000042856 [0,2,0,0,0,0|2,0,0]=4 11829 B11R0.147 C=C(COC[C@@H](C)Cl)OCOC 34a_100016084084_100000042856 [0,2,0,0,0,0|2,0,0]=4 11830 B11R0.147 C=C(COC[C@@H](C)N)OCOC 34a_100000737577_100000042856 [0,2,0,0,0,0|2,0,0]=4 11831 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000042856_100000210760 [0,2,0,0,0,0|2,0,0]=4 11832 B11R0.147 C=C(CSCC(C)C)OCOC 62a_100000210624_100000042856 [0,2,0,0,0,0|2,0,0]=4 11833 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100000042856_100011218427 [0,2,0,0,0,0|2,0,0]=4 11834 B11R0.147 C=C(CSCC(C)O)OCOC 62a_100011218427_100000042856 [0,2,0,0,0,0|2,0,0]=4 11835 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100000042856_100009817552 [0,2,0,0,0,0|2,0,0]=4 11836 B11R0.147 C=C(CSC[C@@H](C)O)OCOC 62a_100009817552_100000042856 [0,2,0,0,0,0|2,0,0]=4 11837 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100000749702_100011214892 [0,2,0,0,0,0|1,0,1]=4 11838 B11R0.147 C=CCCC(=O)CCCC(C)C 1458a_100011216857_100000754431 [0,2,0,0,0,0|1,0,1]=4 11839 B11R0.147 C=CCCC(=O)CCCC(C)O 1458a_100000749702_200000718107 [0,2,0,0,0,0|1,0,1]=4 11840 B11R0.147 C=CCNC(=O)CCCC(C)C 1626a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 11841 B11R0.147 C=CCNC(=O)CCCC(C)C 240690a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 11842 B11R0.147 C=CCNC(=O)CCCC(C)C 527a_100020586998_100011216857 [0,2,0,0,0,0|1,0,1]=4 11843 B11R0.147 C=CCNC(=O)CCCC(C)O 1626a_100020586998_100000761597 [0,2,0,0,0,0|1,0,1]=4 11844 B11R0.147 C=CCNC(=O)CCCC(C)O 527a_100020586998_100000761597 [0,2,0,0,0,0|1,0,1]=4 11845 B11R0.147 C=CCOC(=O)CNCC(C)C 2230a_100000210953_100000033060 [0,2,0,0,0,0|1,0,1]=4 11846 B11R0.147 C=CCOC(=O)CNCC(C)C 34a_100000210953_100000033060 [0,2,0,0,0,0|1,0,1]=4 11847 B11R0.147 C=CCOC(=O)CNCC(C)O 2230a_100000210904_100000033060 [0,2,0,0,0,0|1,0,1]=4 11848 B11R0.147 C=CCOC(=O)CNCC(C)O 34a_100000210904_100000033060 [0,2,0,0,0,0|1,0,1]=4 11849 B11R0.147 C=CCOC(=O)COCC(C)Br 34a_100012180447_100000033060 [0,2,0,0,0,0|1,0,1]=4 11850 B11R0.147 C=CCOC(=O)COCC(C)C 34a_100000210257_100000033060 [0,2,0,0,0,0|1,0,1]=4 11851 B11R0.147 C=CCOC(=O)COCC(C)F 34a_100015925927_100000033060 [0,2,0,0,0,0|1,0,1]=4 11852 B11R0.147 C=CCOC(=O)COC[C@@H](C)Cl 34a_100016084084_100000033060 [0,2,0,0,0,0|1,0,1]=4 11853 B11R0.147 C=CCOC(=O)COC[C@@H](C)N 34a_100000737577_100000033060 [0,2,0,0,0,0|1,0,1]=4 11854 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000033060_100000210760 [0,2,0,0,0,0|1,0,1]=4 11855 B11R0.147 C=CCOC(=O)CSCC(C)C 62a_100000210624_100000033060 [0,2,0,0,0,0|1,0,1]=4 11856 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100000033060_100011218427 [0,2,0,0,0,0|1,0,1]=4 11857 B11R0.147 C=CCOC(=O)CSCC(C)O 62a_100011218427_100000033060 [0,2,0,0,0,0|1,0,1]=4 11858 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100000033060_100009817552 [0,2,0,0,0,0|1,0,1]=4 11859 B11R0.147 C=CCOC(=O)CSC[C@@H](C)O 62a_100009817552_100000033060 [0,2,0,0,0,0|1,0,1]=4 11860 B11R0.147 CC#CCC(=O)CCCC(C)C 1458a_100011216857_100000748600 [0,2,0,0,0,0|1,0,1]=4 11861 B11R0.147 CC(C)CCCC(=O)C#CCO 1458a_100000049017_100011214892 [0,2,0,0,0,0|1,0,1]=4 11862 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011216857_100011215226 [0,2,0,0,0,0|1,0,1]=4 11863 B11R0.147 CC(C)CCCC(=O)CCC#N 1458a_100011934036_100011214892 [0,2,0,0,0,0|1,0,1]=4 11864 B11R0.147 CC(C)CCCC(=O)CCCF 1458a_100011216857_100011934791 [0,2,0,0,0,0|1,0,0]=3 11865 B11R0.147 CC(C)CCCC(=O)CCCO 1458a_100011216857_100011215043 [0,2,0,0,0,0|1,0,0]=3 11866 B11R0.147 CC(C)CCCC(=O)NCC#N 1626a_100000734998_100011216857 [0,2,0,0,0,0|1,0,1]=4 11867 B11R0.147 CC(C)CCCC(=O)NCC#N 527a_100000734998_100011216857 [0,2,0,0,0,0|1,0,1]=4 11868 B11R0.147 CC(C)CCCC(=O)NCCF 11a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 11869 B11R0.147 CC(C)CCCC(=O)NCCF 1626a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 11870 B11R0.147 CC(C)CCCC(=O)NCCF 240690a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 11871 B11R0.147 CC(C)CCCC(=O)NCCF 527a_100000724931_100011216857 [0,2,0,0,0,0|1,0,0]=3 11872 B11R0.147 CC(C)CCCC(=O)NCCO 240690a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 11873 B11R0.147 CC(C)CCCC(=O)NCCO 527a_100000210304_100011216857 [0,2,0,0,0,0|1,0,0]=3 11874 B11R0.147 CC(C)CCCC(C)OCCF 34a_200011218570_100011217306 [0,2,0,0,0,0|1,0,1]=4 11875 B11R0.147 CC(C)CCCC(C)OCCF 7a_200011218570_100011217306 [0,2,0,0,0,0|1,0,1]=4 11876 B11R0.147 CC(C)CCCC(C)OCCO 34a_200011218570_100000211926 [0,2,0,0,0,0|1,0,1]=4 11877 B11R0.147 CC(C)CCCC(C)OCCO 7a_200011218570_100000211926 [0,2,0,0,0,0|1,0,1]=4 11878 B11R0.147 CC(C)CCNC(=O)NCCF 2708a_100000210545_100000724931 [0,2,0,0,0,0|2,0,0]=4 11879 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000210545_100000724931 [0,2,0,0,0,0|2,0,0]=4 11880 B11R0.147 CC(C)CCNC(=O)NCCF 273464a_100000724931_100000210545 [0,2,0,0,0,0|2,0,0]=4 11881 B11R0.147 CC(C)CCNC(=O)NCCF 512a_100000210545_100000724931 [0,2,0,0,0,0|2,0,0]=4 11882 B11R0.147 CC(C)CCNC(=O)NCCO 2708a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 11883 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210304_100000210545 [0,2,0,0,0,0|2,0,0]=4 11884 B11R0.147 CC(C)CCNC(=O)NCCO 273464a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 11885 B11R0.147 CC(C)CCNC(=O)NCCO 512a_100000210545_100000210304 [0,2,0,0,0,0|2,0,0]=4 11886 B11R0.147 CC(C)CNCC(=O)NCCF 2230a_100000725713_100000210760 [0,2,0,0,0,0|2,0,0]=4 11887 B11R0.147 CC(C)CNCC(=O)NCCF 270004a_100000725713_100000210432 [0,2,0,0,0,0|2,0,0]=4 11888 B11R0.147 CC(C)COCC(=O)CCCF 1458a_100011223364_100011934791 [0,2,0,0,0,0|2,0,0]=4 11889 B11R0.147 CC(C)COCC(=O)CCCO 1458a_100011223364_100011215043 [0,2,0,0,0,0|2,0,0]=4 11890 B11R0.147 CC(C)COCC(=O)NCCF 11a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 11891 B11R0.147 CC(C)COCC(=O)NCCF 1626a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 11892 B11R0.147 CC(C)COCC(=O)NCCF 240690a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 11893 B11R0.147 CC(C)COCC(=O)NCCF 527a_100000724931_100011223364 [0,2,0,0,0,0|2,0,0]=4 11894 B11R0.147 CC(C)COCC(=O)NCCO 240690a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 11895 B11R0.147 CC(C)COCC(=O)NCCO 527a_100000210304_100011223364 [0,2,0,0,0,0|2,0,0]=4 11896 B11R0.147 CC(O)CCCC(=O)C#CCO 1458a_100000049017_200000718107 [0,2,0,0,0,0|1,0,1]=4 11897 B11R0.147 CC(O)CCCC(=O)CCC#N 1458a_100011934036_200000718107 [0,2,0,0,0,0|1,0,1]=4 11898 B11R0.147 CC(O)CCCC(=O)NCC#N 1626a_100000734998_100000761597 [0,2,0,0,0,0|1,0,1]=4 11899 B11R0.147 CC(O)CCCC(=O)NCC#N 527a_100000734998_100000761597 [0,2,0,0,0,0|1,0,1]=4 11900 B11R0.147 CC(O)CCCC(=O)NCCF 1626a_100000724931_100000761597 [0,2,0,0,0,0|1,0,0]=3 11901 B11R0.147 CC(O)CCCC(=O)NCCF 527a_100000724931_100000761597 [0,2,0,0,0,0|1,0,0]=3 11902 B11R0.147 CC(O)CCCC(=O)NCCO 527a_100000210304_100000761597 [0,2,0,0,0,0|1,0,0]=3 11903 B11R0.147 CC(O)CCNC(=O)NCCF 273464a_200000755665_100000724931 [0,2,0,0,0,0|2,0,0]=4 11904 B11R0.147 CC(O)CCNC(=O)NCCF 512a_200000755665_100000724931 [0,2,0,0,0,0|2,0,0]=4 11905 B11R0.147 CC(O)CCNC(=O)NCCO 273464a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 11906 B11R0.147 CC(O)CCNC(=O)NCCO 512a_200000755665_100000210304 [0,2,0,0,0,0|2,0,0]=4 11907 B11R0.147 CC(O)CNCC(=O)NCCF 2230a_100000725713_100011218427 [0,2,0,0,0,0|2,0,0]=4 11908 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100011216857_100000070051 [0,2,0,0,0,0|1,0,1]=4 11909 B11R0.147 CC=CCC(=O)CCCC(C)C 1458a_100121576822_100011214892 [0,2,0,0,0,0|1,0,1]=4 11910 B11R0.147 CC=CCC(=O)CCCC(C)O 1458a_100121576822_200000718107 [0,2,0,0,0,0|1,0,1]=4 11911 B11R0.147 CCC#CC(=O)CCCC(=O)C 1458a_100011827653_100011215641 [0,2,0,0,0,0|1,0,1]=4 11912 B11R0.147 CCC#CC(=O)CCCC(C)C 1458a_100011827653_100011214892 [0,2,0,0,0,0|1,0,0]=3 11913 B11R0.147 CCC#CC(=O)CCCC(C)O 1458a_100011827653_200000718107 [0,2,0,0,0,0|1,0,0]=3 11914 B11R0.147 CCC#CC(=O)CCCN(C)C 1458a_100011827653_100000695564 [0,2,0,0,0,0|2,0,0]=4 11915 B11R0.147 CCC#CC(=O)CCOC(C)C 1458a_100011827653_100000211751 [0,2,0,0,0,0|2,0,0]=4 11916 B11R0.147 CCC#CC(=O)CCSC(C)C 1458a_100011827653_100000730970 [0,2,0,0,0,0|2,0,0]=4 11917 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|1,0,1]=4 11918 B11R0.147 CCC=CC(=O)CCCC(C)C 1458a_100000212282_100011214892 [0,2,0,0,0,0|1,0,0]=3 11919 B11R0.147 CCC=CC(=O)CCCC(C)O 1458a_100000212282_200000718107 [0,2,0,0,0,0|1,0,0]=3 11920 B11R0.147 CCC=CC(=O)CCCN(C)C 1458a_100000212282_100000695564 [0,2,0,0,0,0|2,0,0]=4 11921 B11R0.147 CCC=CC(=O)CCOC(C)C 1458a_100000212282_100000211751 [0,2,0,0,0,0|2,0,0]=4 11922 B11R0.147 CCC=CC(=O)CCSC(C)C 1458a_100000212282_100000730970 [0,2,0,0,0,0|2,0,0]=4 11923 B11R0.147 CCC=CC(=O)NCCC(C)C 11a_100000210545_100000212282 [0,2,0,0,0,0|2,0,0]=4 11924 B11R0.147 CCC=CC(=O)NCCC(C)C 1626a_100000210545_100000212282 [0,2,0,0,0,0|2,0,0]=4 11925 B11R0.147 CCC=CC(=O)NCCC(C)C 240690a_100000210545_100000212282 [0,2,0,0,0,0|2,0,0]=4 11926 B11R0.147 CCC=CC(=O)NCCC(C)O 240690a_200000755665_100000212282 [0,2,0,0,0,0|2,0,0]=4 11927 B11R0.147 CCCCC(=O)CCCC(=O)C 1458a_100000210183_100011215641 [0,2,0,0,0,0|1,0,1]=4 11928 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100000210183_100011214892 [0,2,0,0,0,0|1,0,0]=3 11929 B11R0.147 CCCCC(=O)CCCC(C)C 1458a_100011216857_100000210211 [0,2,0,0,0,0|1,0,0]=3 11930 B11R0.147 CCCCC(=O)CCCC(C)O 1458a_100000210183_200000718107 [0,2,0,0,0,0|1,0,0]=3 11931 B11R0.147 CCCCC(=O)CCCN(C)C 1458a_100000210183_100000695564 [0,2,0,0,0,0|2,0,0]=4 11932 B11R0.147 CCCCC(=O)CCOC(C)C 1458a_100000210183_100000211751 [0,2,0,0,0,0|2,0,0]=4 11933 B11R0.147 CCCCC(=O)CCSC(C)C 1458a_100000210183_100000730970 [0,2,0,0,0,0|2,0,0]=4 11934 B11R0.147 CCCCC(=O)COCC(C)C 1458a_100011223364_100000210211 [0,2,0,0,0,0|2,0,0]=4 11935 B11R0.147 CCCCC(=O)NCCC(C)C 11a_100000210545_100000210183 [0,2,0,0,0,0|2,0,0]=4 11936 B11R0.147 CCCCC(=O)NCCC(C)C 1626a_100000210545_100000210183 [0,2,0,0,0,0|2,0,0]=4 11937 B11R0.147 CCCCC(=O)NCCC(C)C 240690a_100000210545_100000210183 [0,2,0,0,0,0|2,0,0]=4 11938 B11R0.147 CCCCC(=O)NCCC(C)C 527a_100000210545_100000210183 [0,2,0,0,0,0|2,0,0]=4 11939 B11R0.147 CCCCC(=O)NCCC(C)O 240690a_200000755665_100000210183 [0,2,0,0,0,0|2,0,0]=4 11940 B11R0.147 CCCCC(=O)NCCC(C)O 527a_200000755665_100000210183 [0,2,0,0,0,0|2,0,0]=4 11941 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000070787_100011194427 [0,2,0,0,0,0|1,0,1]=4 11942 B11R0.147 CCCNC(=O)CCCC(=O)C 1458a_100000199544_200000210301 [0,2,0,0,0,0|1,0,1]=4 11943 B11R0.147 CCCNC(=O)CCCC(=O)[13CH3] 1458a_100000199544_200025704644 [0,2,0,0,0,0|1,0,1]=4 11944 B11R0.147 CCCNC(=O)CCCC(C)C 11a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 11945 B11R0.147 CCCNC(=O)CCCC(C)C 1626a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 11946 B11R0.147 CCCNC(=O)CCCC(C)C 240690a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 11947 B11R0.147 CCCNC(=O)CCCC(C)C 527a_100020643023_100011216857 [0,2,0,0,0,0|1,0,0]=3 11948 B11R0.147 CCCNC(=O)CCCC(C)O 1626a_100020643023_100000761597 [0,2,0,0,0,0|1,0,0]=3 11949 B11R0.147 CCCNC(=O)CCCC(C)O 527a_100020643023_100000761597 [0,2,0,0,0,0|1,0,0]=3 11950 B11R0.147 CCCNC(=O)CCCN(C)C 11a_100020643023_100000740757 [0,2,0,0,0,0|2,0,0]=4 11951 B11R0.147 CCCNC(=O)CCCN(C)C 2230a_100102631434_100011194427 [0,2,0,0,0,0|2,0,0]=4 11952 B11R0.147 CCCNC(=O)CCCN(C)C 240690a_100020643023_100000740757 [0,2,0,0,0,0|2,0,0]=4 11953 B11R0.147 CCCNC(=O)CCCN(C)C 269982a_100102631434_100011194427 [0,2,0,0,0,0|2,0,0]=4 11954 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000174927_100000210760 [0,2,0,0,0,0|2,0,0]=4 11955 B11R0.147 CCCNC(=O)CNCC(C)C 2230a_100000210953_100000183358 [0,2,0,0,0,0|2,0,0]=4 11956 B11R0.147 CCCNC(=O)CNCC(C)C 270004a_100000174927_100000210432 [0,2,0,0,0,0|2,0,0]=4 11957 B11R0.147 CCCNC(=O)CNCC(C)C 34a_100000210953_100000183358 [0,2,0,0,0,0|2,0,0]=4 11958 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000174927_100011218427 [0,2,0,0,0,0|2,0,0]=4 11959 B11R0.147 CCCNC(=O)CNCC(C)O 2230a_100000210904_100000183358 [0,2,0,0,0,0|2,0,0]=4 11960 B11R0.147 CCCNC(=O)CNCC(C)O 34a_100000210904_100000183358 [0,2,0,0,0,0|2,0,0]=4 11961 B11R0.147 CCCNC(=O)CNC[C@@H](C)O 2230a_100000174927_100009817552 [0,2,0,0,0,0|2,0,0]=4 11962 B11R0.147 CCCNC(=O)COCC(C)Br 34a_100012180447_100000183358 [0,2,0,0,0,0|2,0,0]=4 11963 B11R0.147 CCCNC(=O)COCC(C)C 11a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 11964 B11R0.147 CCCNC(=O)COCC(C)C 1626a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 11965 B11R0.147 CCCNC(=O)COCC(C)C 240690a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 11966 B11R0.147 CCCNC(=O)COCC(C)C 34a_100000210257_100000183358 [0,2,0,0,0,0|2,0,0]=4 11967 B11R0.147 CCCNC(=O)COCC(C)C 527a_100020643023_100011223364 [0,2,0,0,0,0|2,0,0]=4 11968 B11R0.147 CCCNC(=O)COCC(C)F 34a_100015925927_100000183358 [0,2,0,0,0,0|2,0,0]=4 11969 B11R0.147 CCCNC(=O)COC[C@@H](C)Cl 34a_100016084084_100000183358 [0,2,0,0,0,0|2,0,0]=4 11970 B11R0.147 CCCNC(=O)COC[C@@H](C)N 34a_100000737577_100000183358 [0,2,0,0,0,0|2,0,0]=4 11971 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000183358_100000210760 [0,2,0,0,0,0|2,0,0]=4 11972 B11R0.147 CCCNC(=O)CSCC(C)C 62a_100000210624_100000183358 [0,2,0,0,0,0|2,0,0]=4 11973 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100000183358_100011218427 [0,2,0,0,0,0|2,0,0]=4 11974 B11R0.147 CCCNC(=O)CSCC(C)O 62a_100011218427_100000183358 [0,2,0,0,0,0|2,0,0]=4 11975 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100000183358_100009817552 [0,2,0,0,0,0|2,0,0]=4 11976 B11R0.147 CCCNC(=O)CSC[C@@H](C)O 62a_100009817552_100000183358 [0,2,0,0,0,0|2,0,0]=4 11977 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100000210545_100020643023 [0,2,0,0,0,0|2,0,0]=4 11978 B11R0.147 CCCNC(=O)NCCC(C)C 2708a_100020643023_100000210545 [0,2,0,0,0,0|2,0,0]=4 11979 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100000210545_100020643023 [0,2,0,0,0,0|2,0,0]=4 11980 B11R0.147 CCCNC(=O)NCCC(C)C 273464a_100020643023_100000210545 [0,2,0,0,0,0|2,0,0]=4 11981 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100000210545_100020643023 [0,2,0,0,0,0|2,0,0]=4 11982 B11R0.147 CCCNC(=O)NCCC(C)C 512a_100020643023_100000210545 [0,2,0,0,0,0|2,0,0]=4 11983 B11R0.147 CCCNC(=O)NCCC(C)O 2708a_100020643023_200000755665 [0,2,0,0,0,0|2,0,0]=4 11984 B11R0.147 CCCNC(=O)NCCC(C)O 273464a_200000755665_100020643023 [0,2,0,0,0,0|2,0,0]=4 11985 B11R0.147 CCCNC(=O)NCCC(C)O 512a_100020643023_200000755665 [0,2,0,0,0,0|2,0,0]=4 11986 B11R0.147 CCCNC(=O)NCCC(C)O 512a_200000755665_100020643023 [0,2,0,0,0,0|2,0,0]=4 11987 B11R0.147 CCCOC(=O)CNCC(C)C 2230a_100000210953_200011215008 [0,2,0,0,0,0|1,0,0]=3 11988 B11R0.147 CCCOC(=O)CNCC(C)C 34a_100000210953_200011215008 [0,2,0,0,0,0|1,0,0]=3 11989 B11R0.147 CCCOC(=O)CNCC(C)O 2230a_100000210904_200011215008 [0,2,0,0,0,0|1,0,0]=3 11990 B11R0.147 CCCOC(=O)CNCC(C)O 34a_100000210904_200011215008 [0,2,0,0,0,0|1,0,0]=3 11991 B11R0.147 CCCOC(=O)CNCC(F)F 34a_100000765723_200011215008 [0,2,0,0,0,0|2,0,0]=4 11992 B11R0.147 CCCOC(=O)COCC(=O)C 34a_100000211253_200011215008 [0,2,0,0,0,0|1,0,1]=4 11993 B11R0.147 CCCOC(=O)COCC(C)Br 34a_100012180447_200011215008 [0,2,0,0,0,0|1,0,0]=3 11994 B11R0.147 CCCOC(=O)COCC(C)C 34a_100000210257_200011215008 [0,2,0,0,0,0|1,0,0]=3 11995 B11R0.147 CCCOC(=O)COCC(C)F 34a_100015925927_200011215008 [0,2,0,0,0,0|1,0,0]=3 11996 B11R0.147 CCCOC(=O)COCC(F)F 34a_100000743014_200011215008 [0,2,0,0,0,0|2,0,0]=4 11997 B11R0.147 CCCOC(=O)COC[C@@H](C)Cl 34a_100016084084_200011215008 [0,2,0,0,0,0|1,0,0]=3 11998 B11R0.147 CCCOC(=O)COC[C@@H](C)N 34a_100000737577_200011215008 [0,2,0,0,0,0|1,0,0]=3 11999 B11R0.147 CCCOC(=O)CSCC(C)C 62a_100000210624_200011215008 [0,2,0,0,0,0|1,0,0]=3 12000 B11R0.147 CCCOC(=O)CSCC(C)C 62a_200011215008_100000210760 [0,2,0,0,0,0|1,0,0]=3 12001 B11R0.147 CCCOC(=O)CSCC(C)O 62a_100011218427_200011215008 [0,2,0,0,0,0|1,0,0]=3 12002 B11R0.147 CCCOC(=O)CSCC(C)O 62a_200011215008_100011218427 [0,2,0,0,0,0|1,0,0]=3 12003 B11R0.147 CCCOC(=O)CSCC(F)F 62a_100011934356_200011215008 [0,2,0,0,0,0|2,0,0]=4 12004 B11R0.147 CCCOC(=O)CSCC(F)F 62a_200011215008_100011934356 [0,2,0,0,0,0|2,0,0]=4 12005 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_100009817552_200011215008 [0,2,0,0,0,0|1,0,0]=3 12006 B11R0.147 CCCOC(=O)CSC[C@@H](C)O 62a_200011215008_100009817552 [0,2,0,0,0,0|1,0,0]=3 12007 B11R0.147 CCCOC(=O)OCNC(C)C 34a_100138425928_200000139673 [0,2,0,0,0,0|2,0,0]=4 12008 B11R0.147 CCCOC(=O)OCOC(C)C 34a_100000212225_200000139673 [0,2,0,0,0,0|2,0,0]=4 12009 B11R0.147 CCCOC(=O)OCSC(C)C 62a_100000210206_200000139673 [0,2,0,0,0,0|2,0,0]=4 12010 B11R0.147 CCCOC(C)CCCC(C)C 34a_200011218570_100000210303 [0,2,0,0,0,0|1,0,1]=4 12011 B11R0.147 CCCOC(C)CCCC(C)C 7a_200011218570_100000210303 [0,2,0,0,0,0|1,0,1]=4 12012 B11R0.147 CCNN=C(C)CCCC(C)C 4a_100000756455_100000753411 [0,2,0,0,0,0|2,0,0]=4 12013 B11R0.147 CCNNC(=O)CCCC(C)C 22a_100000756455_100011216857 [0,2,0,0,0,0|1,0,0]=3 12014 B11R0.147 CCNNC(=O)CCCC(C)O 22a_100000756455_100000761597 [0,2,0,0,0,0|1,0,0]=3 12015 B11R0.147 CCNNC(=O)CCCN(C)C 22a_100000756455_100000740757 [0,2,0,0,0,0|2,0,0]=4 12016 B11R0.147 CCNNC(=O)COCC(C)C 22a_100000756455_100011223364 [0,2,0,0,0,0|2,0,0]=4 12017 B11R0.147 CCNNC(=O)NCCC(C)C 273464a_100000210545_100000756455 [0,2,0,0,0,0|2,0,0]=4 12018 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000210545_100000756455 [0,2,0,0,0,0|2,0,0]=4 12019 B11R0.147 CCNNC(=O)NCCC(C)C 512a_100000756455_100000210545 [0,2,0,0,0,0|2,0,0]=4 12020 B11R0.147 CCNNC(=O)NCCC(C)O 273464a_200000755665_100000756455 [0,2,0,0,0,0|2,0,0]=4 12021 B11R0.147 CCNNC(=O)NCCC(C)O 512a_100000756455_200000755665 [0,2,0,0,0,0|2,0,0]=4 12022 B11R0.147 CCNNC(=O)NCCC(C)O 512a_200000755665_100000756455 [0,2,0,0,0,0|2,0,0]=4 12023 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,2,0,0,0,0|0,0,2]=4 12024 B11R0.147 CCOCC(=O)CCCC(=O)C 1458a_100000211967_100011215641 [0,2,0,0,0,0|0,0,1]=3 12025 B11R0.147 CCOCC(=O)CCCC(=O)N 1458a_100000211967_100102525003 [0,2,0,0,0,0|1,0,1]=4 12026 B11R0.147 CCOCC(=O)CCCC(C)C 1458a_100000211967_100011214892 [0,2,0,0,0,0|0,0,0]=2 12027 B11R0.147 CCOCC(=O)CCCC(C)O 1458a_100000211967_200000718107 [0,2,0,0,0,0|0,0,0]=2 12028 B11R0.147 CCOCC(=O)CCCN(C)C 1458a_100000211967_100000695564 [0,2,0,0,0,0|1,0,0]=3 12029 B11R0.147 CCOCC(=O)CCNC(=O)C 1458a_100000211967_100000189650 [0,2,0,0,0,0|1,0,1]=4 12030 B11R0.147 CCOCC(=O)CCOC(=O)C 1458a_100000211967_100009814007 [0,2,0,0,0,0|1,0,1]=4 12031 B11R0.147 CCOCC(=O)CCOC(C)C 1458a_100000211967_100000211751 [0,2,0,0,0,0|1,0,0]=3 12032 B11R0.147 CCOCC(=O)CCSC(C)C 1458a_100000211967_100000730970 [0,2,0,0,0,0|1,0,0]=3 12033 B11R0.147 CCOCC(=O)NCCC(C)C 11a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 12034 B11R0.147 CCOCC(=O)NCCC(C)C 1626a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 12035 B11R0.147 CCOCC(=O)NCCC(C)C 240690a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 12036 B11R0.147 CCOCC(=O)NCCC(C)C 527a_100000210545_100000211967 [0,2,0,0,0,0|1,0,0]=3 12037 B11R0.147 CCOCC(=O)NCCC(C)O 240690a_200000755665_100000211967 [0,2,0,0,0,0|1,0,0]=3 12038 B11R0.147 CCOCC(=O)NCCC(C)O 527a_200000755665_100000211967 [0,2,0,0,0,0|1,0,0]=3 12039 B11R0.147 CCOCC(=O)NCCN(C)C 240690a_100000210585_100000211967 [0,2,0,0,0,0|2,0,0]=4 12040 B11R0.147 CCOCC(=O)NCCN(C)C 527a_100000210585_100000211967 [0,2,0,0,0,0|2,0,0]=4 12041 B11R0.147 CCOCC(=O)NNCC(C)C 22a_100000696102_100000211967 [0,2,0,0,0,0|2,0,0]=4 12042 B11R0.147 CCOCC(=O)NNCC(C)O 22a_200000730056_100000211967 [0,2,0,0,0,0|2,0,0]=4 12043 B11R0.147 CCSCC(=O)CCCC(=O)C 1458a_100000230394_100011215641 [0,2,0,0,0,0|0,1,1]=4 12044 B11R0.147 CCSCC(=O)CCCC(C)C 1458a_100000230394_100011214892 [0,2,0,0,0,0|0,1,0]=3 12045 B11R0.147 CCSCC(=O)CCCC(C)O 1458a_100000230394_200000718107 [0,2,0,0,0,0|0,1,0]=3 12046 B11R0.147 CCSCC(=O)CCCN(C)C 1458a_100000230394_100000695564 [0,2,0,0,0,0|1,1,0]=4 12047 B11R0.147 CCSCC(=O)CCOC(C)C 1458a_100000230394_100000211751 [0,2,0,0,0,0|1,1,0]=4 12048 B11R0.147 CCSCC(=O)CCSC(C)C 1458a_100000230394_100000730970 [0,2,0,0,0,0|1,1,0]=4 12049 B11R0.147 CCSCC(=O)NCCC(C)C 11a_100000210545_100000230394 [0,2,0,0,0,0|1,1,0]=4 12050 B11R0.147 CCSCC(=O)NCCC(C)C 1626a_100000210545_100000230394 [0,2,0,0,0,0|1,1,0]=4 12051 B11R0.147 CCSCC(=O)NCCC(C)C 240690a_100000210545_100000230394 [0,2,0,0,0,0|1,1,0]=4 12052 B11R0.147 CCSCC(=O)NCCC(C)C 527a_100000210545_100000230394 [0,2,0,0,0,0|1,1,0]=4 12053 B11R0.147 CCSCC(=O)NCCC(C)O 240690a_200000755665_100000230394 [0,2,0,0,0,0|1,1,0]=4 12054 B11R0.147 CCSCC(=O)NCCC(C)O 527a_200000755665_100000230394 [0,2,0,0,0,0|1,1,0]=4 12055 B11R0.147 CN(C)CCCC(=O)NCCF 11a_100000724931_100000740757 [0,2,0,0,0,0|2,0,0]=4 12056 B11R0.147 CN(C)CCCC(=O)NCCF 240690a_100000724931_100000740757 [0,2,0,0,0,0|2,0,0]=4 12057 B11R0.147 CN(C)CCCC(=O)NCCO 240690a_100000210304_100000740757 [0,2,0,0,0,0|2,0,0]=4 12058 B11R0.147 COC=CC(=O)CCCC(C)C 1458a_100016268678_100011214892 [0,2,0,0,0,0|1,0,1]=4 12059 B11R0.147 COC=CC(=O)CCCC(C)O 1458a_100016268678_200000718107 [0,2,0,0,0,0|1,0,1]=4 12060 B11R0.147 COCCC(=O)CCCC(=O)C 1458a_100000749529_100011215641 [0,2,0,0,0,0|1,0,1]=4 12061 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100000749529_100011214892 [0,2,0,0,0,0|1,0,0]=3 12062 B11R0.147 COCCC(=O)CCCC(C)C 1458a_100011216857_100000233755 [0,2,0,0,0,0|1,0,0]=3 12063 B11R0.147 COCCC(=O)CCCC(C)O 1458a_100000749529_200000718107 [0,2,0,0,0,0|1,0,0]=3 12064 B11R0.147 COCCC(=O)CCCN(C)C 1458a_100000749529_100000695564 [0,2,0,0,0,0|2,0,0]=4 12065 B11R0.147 COCCC(=O)CCOC(C)C 1458a_100000749529_100000211751 [0,2,0,0,0,0|2,0,0]=4 12066 B11R0.147 COCCC(=O)CCSC(C)C 1458a_100000749529_100000730970 [0,2,0,0,0,0|2,0,0]=4 12067 B11R0.147 COCCC(=O)COCC(C)C 1458a_100011223364_100000233755 [0,2,0,0,0,0|2,0,0]=4 12068 B11R0.147 COCCC(=O)NCCC(C)C 11a_100000210545_100000749529 [0,2,0,0,0,0|2,0,0]=4 12069 B11R0.147 COCCC(=O)NCCC(C)C 1626a_100000210545_100000749529 [0,2,0,0,0,0|2,0,0]=4 12070 B11R0.147 COCCC(=O)NCCC(C)C 240690a_100000210545_100000749529 [0,2,0,0,0,0|2,0,0]=4 12071 B11R0.147 COCCC(=O)NCCC(C)C 527a_100000210545_100000749529 [0,2,0,0,0,0|2,0,0]=4 12072 B11R0.147 COCCC(=O)NCCC(C)O 240690a_200000755665_100000749529 [0,2,0,0,0,0|2,0,0]=4 12073 B11R0.147 COCCC(=O)NCCC(C)O 527a_200000755665_100000749529 [0,2,0,0,0,0|2,0,0]=4 12074 B11R0.147 CSCCC(=O)CCCC(=O)C 1458a_100000174002_100011215641 [0,2,0,0,0,0|1,0,1]=4 12075 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100000174002_100011214892 [0,2,0,0,0,0|1,0,0]=3 12076 B11R0.147 CSCCC(=O)CCCC(C)C 1458a_100011216857_100000751147 [0,2,0,0,0,0|1,0,0]=3 12077 B11R0.147 CSCCC(=O)CCCC(C)O 1458a_100000174002_200000718107 [0,2,0,0,0,0|1,0,0]=3 12078 B11R0.147 CSCCC(=O)CCCN(C)C 1458a_100000174002_100000695564 [0,2,0,0,0,0|2,0,0]=4 12079 B11R0.147 CSCCC(=O)CCOC(C)C 1458a_100000174002_100000211751 [0,2,0,0,0,0|2,0,0]=4 12080 B11R0.147 CSCCC(=O)CCSC(C)C 1458a_100000174002_100000730970 [0,2,0,0,0,0|2,0,0]=4 12081 B11R0.147 CSCCC(=O)COCC(C)C 1458a_100011223364_100000751147 [0,2,0,0,0,0|2,0,0]=4 12082 B11R0.147 CSCCC(=O)NCCC(C)C 11a_100000210545_100000174002 [0,2,0,0,0,0|2,0,0]=4 12083 B11R0.147 CSCCC(=O)NCCC(C)C 1626a_100000210545_100000174002 [0,2,0,0,0,0|2,0,0]=4 12084 B11R0.147 CSCCC(=O)NCCC(C)C 240690a_100000210545_100000174002 [0,2,0,0,0,0|2,0,0]=4 12085 B11R0.147 CSCCC(=O)NCCC(C)C 527a_100000210545_100000174002 [0,2,0,0,0,0|2,0,0]=4 12086 B11R0.147 CSCCC(=O)NCCC(C)O 240690a_200000755665_100000174002 [0,2,0,0,0,0|2,0,0]=4 12087 B11R0.147 CSCCC(=O)NCCC(C)O 527a_200000755665_100000174002 [0,2,0,0,0,0|2,0,0]=4 12088 B11R0.147 CSCOC(C)CCCC(C)C 34a_200011218570_100011218213 [0,2,0,0,0,0|1,0,1]=4 12089 B11R0.147 C[C@@H](O)CNCC(=O)NCCF 2230a_100000725713_100009817552 [0,2,0,0,0,0|2,0,0]=4 12090 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000211992_100011216173 [0,2,0,0,0,0|2,0,0]=4 12091 B11R0.180 CCCC(=O)CCCC(F)(F)F 1458a_100000764234_100000210303 [0,2,0,0,0,0|2,0,0]=4 12092 B11R0.180 CCCC(=O)CCCS(=O)(=O)C 1458a_100000211992_100000754308 [0,2,0,0,0,0|2,0,0]=4 12093 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000085584_100000210303 [0,2,0,0,0,0|2,0,0]=4 12094 B11R0.180 CCCC(=O)CCC[N+](C)(C)C 1458a_100000211992_100016990835 [0,2,0,0,0,0|2,0,0]=4 12095 B11R0.180 CCCC(=O)CCC[Si](C)(C)C 1458a_100000211992_100011219597 [0,2,0,0,0,0|1,1,0]=4 12096 B11R0.180 CCCC(=O)CNCC(C)(C)C 2230a_100000743828_100000747444 [0,2,0,0,0,0|2,0,0]=4 12097 B11R0.180 CCCC(=O)CNCC(C)(C)F 2230a_100020643315_100000747444 [0,2,0,0,0,0|2,0,0]=4 12098 B11R0.180 CCCC(=O)CNCC(C)(C)O 2230a_100000751335_100000747444 [0,2,0,0,0,0|2,0,0]=4 12099 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100000747444_100011219605 [0,2,0,0,0,0|2,0,0]=4 12100 B11R0.180 CCCC(=O)CSCC(C)(C)C 62a_100011219605_100000747444 [0,2,0,0,0,0|2,0,0]=4 12101 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100000747444_100011997219 [0,2,0,0,0,0|2,0,0]=4 12102 B11R0.180 CCCC(=O)CSCC(C)(C)F 62a_100011997219_100000747444 [0,2,0,0,0,0|2,0,0]=4 12103 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000747444_100000764493 [0,2,0,0,0,0|2,0,0]=4 12104 B11R0.180 CCCC(=O)CSCC(C)(C)O 62a_100000764493_100000747444 [0,2,0,0,0,0|2,0,0]=4 12105 B11R0.180 CCCC(=O)NCCC(C)(C)C 11a_100000738805_100000211992 [0,2,0,0,0,0|2,0,0]=4 12106 B11R0.180 CCCC(=O)NCCC(C)(C)C 1626a_100000738805_100000211992 [0,2,0,0,0,0|2,0,0]=4 12107 B11R0.180 CCCC(=O)NCCC(C)(C)C 240690a_100000738805_100000211992 [0,2,0,0,0,0|2,0,0]=4 12108 B11R0.180 CCCC(=O)NCCC(C)(C)C 527a_100000738805_100000211992 [0,2,0,0,0,0|2,0,0]=4 12109 B11R0.180 CCCC(=O)NCCC(C)(C)F 11a_100016253952_100000211992 [0,2,0,0,0,0|2,0,0]=4 12110 B11R0.180 CCCC(=O)NCCC(C)(C)F 1626a_100016253952_100000211992 [0,2,0,0,0,0|2,0,0]=4 12111 B11R0.180 CCCC(=O)NCCC(C)(C)F 240690a_100016253952_100000211992 [0,2,0,0,0,0|2,0,0]=4 12112 B11R0.180 CCCC(=O)NCCC(C)(C)F 527a_100016253952_100000211992 [0,2,0,0,0,0|2,0,0]=4 12113 B11R0.180 CCCC(=O)NCCC(C)(C)O 1626a_100000707701_100000211992 [0,2,0,0,0,0|2,0,0]=4 12114 B11R0.180 CCCC(=O)NCCC(C)(C)O 527a_100000707701_100000211992 [0,2,0,0,0,0|2,0,0]=4 12115 B11R0.180 CCNC(=O)CCCC(F)(F)F 11a_100015525214_100000764234 [0,2,0,0,0,0|2,0,0]=4 12116 B11R0.180 CCNC(=O)CCCC(F)(F)F 240690a_100015525214_100000764234 [0,2,0,0,0,0|2,0,0]=4 12117 B11R0.180 CCNC(=O)CCCC(F)(F)F 527a_100015525214_100000764234 [0,2,0,0,0,0|2,0,0]=4 12118 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 11a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 12119 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 240690a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 12120 B11R0.180 CCNC(=O)CCC[N+](C)(C)C 527a_100015525214_100000085584 [0,2,0,0,0,0|2,0,0]=4 12121 B11R0.180 CCNC(=O)CCNC(C)(C)C 2230a_100000715429_100000737597 [0,2,0,0,0,0|2,0,0]=4 12122 B11R0.180 CCNC(=O)CCNC(C)(C)C 34a_100025743525_100000210625 [0,2,0,0,0,0|2,0,0]=4 12123 B11R0.180 CCNC(=O)CCOC(C)(C)C 7a_100015890283_100000737597 [0,2,0,0,0,0|2,0,0]=4 12124 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000211941_100000737597 [0,2,0,0,0,0|2,0,0]=4 12125 B11R0.180 CCNC(=O)CCSC(C)(C)C 62a_100000737597_100000211941 [0,2,0,0,0,0|2,0,0]=4 12126 B11R0.180 CCNC(=O)CNCC(C)(C)C 2230a_100000743828_100000183381 [0,2,0,0,0,0|2,0,0]=4 12127 B11R0.180 CCNC(=O)CNCC(C)(C)C 270004a_100016988866_100011204126 [0,2,0,0,0,0|2,0,0]=4 12128 B11R0.180 CCNC(=O)CNCC(C)(C)F 2230a_100020643315_100000183381 [0,2,0,0,0,0|2,0,0]=4 12129 B11R0.180 CCNC(=O)CNCC(C)(C)O 2230a_100000751335_100000183381 [0,2,0,0,0,0|2,0,0]=4 12130 B11R0.180 CCNC(=O)COCC(C)(C)F 34a_100000716592_100000183381 [0,2,0,0,0,0|2,0,0]=4 12131 B11R0.180 CCNC(=O)COCC(C)(F)F 34a_100000068830_100000183381 [0,2,0,0,0,0|2,0,0]=4 12132 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100000183381_100011219605 [0,2,0,0,0,0|2,0,0]=4 12133 B11R0.180 CCNC(=O)CSCC(C)(C)C 62a_100011219605_100000183381 [0,2,0,0,0,0|2,0,0]=4 12134 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100000183381_100011997219 [0,2,0,0,0,0|2,0,0]=4 12135 B11R0.180 CCNC(=O)CSCC(C)(C)F 62a_100011997219_100000183381 [0,2,0,0,0,0|2,0,0]=4 12136 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000183381_100000764493 [0,2,0,0,0,0|2,0,0]=4 12137 B11R0.180 CCNC(=O)CSCC(C)(C)O 62a_100000764493_100000183381 [0,2,0,0,0,0|2,0,0]=4 12138 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100000738805_100015525214 [0,2,0,0,0,0|2,0,0]=4 12139 B11R0.180 CCNC(=O)NCCC(C)(C)C 2708a_100015525214_100000738805 [0,2,0,0,0,0|2,0,0]=4 12140 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100000738805_100015525214 [0,2,0,0,0,0|2,0,0]=4 12141 B11R0.180 CCNC(=O)NCCC(C)(C)C 273464a_100015525214_100000738805 [0,2,0,0,0,0|2,0,0]=4 12142 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100000738805_100015525214 [0,2,0,0,0,0|2,0,0]=4 12143 B11R0.180 CCNC(=O)NCCC(C)(C)C 512a_100015525214_100000738805 [0,2,0,0,0,0|2,0,0]=4 12144 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100015525214_100016253952 [0,2,0,0,0,0|2,0,0]=4 12145 B11R0.180 CCNC(=O)NCCC(C)(C)F 2708a_100016253952_100015525214 [0,2,0,0,0,0|2,0,0]=4 12146 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100015525214_100016253952 [0,2,0,0,0,0|2,0,0]=4 12147 B11R0.180 CCNC(=O)NCCC(C)(C)F 273464a_100016253952_100015525214 [0,2,0,0,0,0|2,0,0]=4 12148 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100015525214_100016253952 [0,2,0,0,0,0|2,0,0]=4 12149 B11R0.180 CCNC(=O)NCCC(C)(C)F 512a_100016253952_100015525214 [0,2,0,0,0,0|2,0,0]=4 12150 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100000707701_100015525214 [0,2,0,0,0,0|2,0,0]=4 12151 B11R0.180 CCNC(=O)NCCC(C)(C)O 2708a_100015525214_100000707701 [0,2,0,0,0,0|2,0,0]=4 12152 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100000707701_100015525214 [0,2,0,0,0,0|2,0,0]=4 12153 B11R0.180 CCNC(=O)NCCC(C)(C)O 273464a_100015525214_100000707701 [0,2,0,0,0,0|2,0,0]=4 12154 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100000707701_100015525214 [0,2,0,0,0,0|2,0,0]=4 12155 B11R0.180 CCNC(=O)NCCC(C)(C)O 512a_100015525214_100000707701 [0,2,0,0,0,0|2,0,0]=4 12156 B11R0.180 CCOC(=O)CCNC(C)(C)C 2230a_100000715429_100011206558 [0,2,0,0,0,0|1,0,0]=3 12157 B11R0.180 CCOC(=O)CCOC(C)(C)C 34a_100015890283_100000765890 [0,2,0,0,0,0|1,0,0]=3 12158 B11R0.180 CCOC(=O)CCOC(C)(C)C 7a_100015890283_100011206558 [0,2,0,0,0,0|1,0,0]=3 12159 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000211941_100000765890 [0,2,0,0,0,0|1,0,0]=3 12160 B11R0.180 CCOC(=O)CCSC(C)(C)C 62a_100000765890_100000211941 [0,2,0,0,0,0|1,0,0]=3 12161 B11R0.180 CCOC(=O)CCSC(F)(F)F 62a_100000765890_200103152311 [0,2,0,0,0,0|2,0,0]=4 12162 B11R0.180 CCOC(=O)CCSC(F)(F)F 62a_200000243211_100000765890 [0,2,0,0,0,0|2,0,0]=4 12163 B11R0.180 CCOC(=O)CNCC(C)(C)C 2230a_100000743828_100000188475 [0,2,0,0,0,0|1,0,0]=3 12164 B11R0.180 CCOC(=O)CNCC(C)(C)F 2230a_100020643315_100000188475 [0,2,0,0,0,0|1,0,0]=3 12165 B11R0.180 CCOC(=O)CNCC(C)(C)O 2230a_100000751335_100000188475 [0,2,0,0,0,0|1,0,0]=3 12166 B11R0.180 CCOC(=O)CNCC(F)(F)F 34a_100000717047_100000188475 [0,2,0,0,0,0|2,0,0]=4 12167 B11R0.180 CCOC(=O)COCC(C)(C)F 34a_100000716592_100000188475 [0,2,0,0,0,0|1,0,0]=3 12168 B11R0.180 CCOC(=O)COCC(C)(F)F 34a_100000068830_100000188475 [0,2,0,0,0,0|1,0,0]=3 12169 B11R0.180 CCOC(=O)COCC(F)(F)Br 34a_100011217949_100000188475 [0,2,0,0,0,0|2,0,0]=4 12170 B11R0.180 CCOC(=O)COCC(F)(F)Cl 34a_100000734434_100000188475 [0,2,0,0,0,0|2,0,0]=4 12171 B11R0.180 CCOC(=O)COCC(F)(F)F 34a_100000210435_100000188475 [0,2,0,0,0,0|2,0,0]=4 12172 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100000188475_100011219605 [0,2,0,0,0,0|1,0,0]=3 12173 B11R0.180 CCOC(=O)CSCC(C)(C)C 62a_100011219605_100000188475 [0,2,0,0,0,0|1,0,0]=3 12174 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100000188475_100011997219 [0,2,0,0,0,0|1,0,0]=3 12175 B11R0.180 CCOC(=O)CSCC(C)(C)F 62a_100011997219_100000188475 [0,2,0,0,0,0|1,0,0]=3 12176 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000188475_100000764493 [0,2,0,0,0,0|1,0,0]=3 12177 B11R0.180 CCOC(=O)CSCC(C)(C)O 62a_100000764493_100000188475 [0,2,0,0,0,0|1,0,0]=3 12178 B11R0.180 CCOC(=O)CSCC(F)(F)F 62a_100000188475_100000763148 [0,2,0,0,0,0|2,0,0]=4 12179 B11R0.180 CCOC(=O)CSCC(F)(F)F 62a_100000763148_100000188475 [0,2,0,0,0,0|2,0,0]=4 12180 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_100000188475_200000036245 [0,2,0,0,0,0|2,0,0]=4 12181 B11R0.180 CCOC(=O)CSC[N+](C)(C)C 62a_200000036245_100000188475 [0,2,0,0,0,0|2,0,0]=4 12182 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000037933_100000188475 [0,2,0,0,0,0|1,1,0]=4 12183 B11R0.180 CCOC(=O)CSC[Si](C)(C)C 62a_100000188475_100000037933 [0,2,0,0,0,0|1,1,0]=4 12184 B11R0.180 CCOC(=O)OCSC(C)(C)C 62a_100000211941_100000075025 [0,2,0,0,0,0|2,0,0]=4 12185 B11R0.68 C=C(C)CC(=O)C(C)CCCC 1458a_100000725509_100000748629 [0,2,0,0,0,0|1,0,1]=4 12186 B11R0.68 C=C(C)CC(=O)C(O)CCCC 1458a_100000720857_100000748629 [0,2,0,0,0,0|1,0,1]=4 12187 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCF 34a_100015307928_100011217306 [0,2,0,0,0,0|2,0,0]=4 12188 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCF 7a_100015307928_100011217306 [0,2,0,0,0,0|2,0,0]=4 12189 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCO 34a_100015307928_100000211926 [0,2,0,0,0,0|2,0,0]=4 12190 B11R0.68 CC(C)OC(=O)[C@@H](C)OCCO 7a_100015307928_100000211926 [0,2,0,0,0,0|2,0,0]=4 12191 B11R0.68 CC(C)OC(=O)[C@@H](N)COCF 34a_100121572844_100015361967 [0,2,0,0,0,0|2,0,0]=4 12192 B11R0.68 CCCCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210211 [0,2,0,0,0,0|1,0,1]=4 12193 B11R0.68 CCCCC(C)C(=O)C=C(C)C 1458a_100000211388_200011215066 [0,2,0,0,0,0|1,0,1]=4 12194 B11R0.68 CCCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_200011215066 [0,2,0,0,0,0|1,0,1]=4 12195 B11R0.68 CCCCC(C)C(=O)C=C(C)I 1458a_100025716642_200011215066 [0,2,0,0,0,0|1,0,1]=4 12196 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000210554_200011215066 [0,2,0,0,0,0|1,0,0]=3 12197 B11R0.68 CCCCC(C)C(=O)CC(C)C 1458a_100000725509_100000210624 [0,2,0,0,0,0|1,0,0]=3 12198 B11R0.68 CCCCC(C)C(=O)CC(C)O 1458a_100000725509_100011218427 [0,2,0,0,0,0|1,0,0]=3 12199 B11R0.68 CCCCC(C)C(=O)CC(F)F 1458a_100000725509_100011934356 [0,2,0,0,0,0|2,0,0]=4 12200 B11R0.68 CCCCC(C)C(=O)CN(C)C 1458a_100000750896_200011215066 [0,2,0,0,0,0|2,0,0]=4 12201 B11R0.68 CCCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_200011215066 [0,2,0,0,0,0|1,0,0]=3 12202 B11R0.68 CCCCC(C)C(=O)C[S+](C)C 1458a_200159257847_200011215066 [0,2,0,0,0,0|2,0,0]=4 12203 B11R0.68 CCCCC(C)C(=O)NC(C)C 11a_100138425928_100000725509 [0,2,0,0,0,0|1,0,0]=3 12204 B11R0.68 CCCCC(C)C(=O)NC(C)C 1626a_100138425928_100000725509 [0,2,0,0,0,0|1,0,0]=3 12205 B11R0.68 CCCCC(C)C(=O)NC(C)C 240690a_100138425928_100000725509 [0,2,0,0,0,0|1,0,0]=3 12206 B11R0.68 CCCCC(C)C(=O)NC(C)C 527a_100138425928_100000725509 [0,2,0,0,0,0|1,0,0]=3 12207 B11R0.68 CCCCC(O)C(=O)CC(C)C 1458a_100000720857_100000210624 [0,2,0,0,0,0|1,0,0]=3 12208 B11R0.68 CCCCC(O)C(=O)CC(C)O 1458a_100000720857_100011218427 [0,2,0,0,0,0|1,0,0]=3 12209 B11R0.68 CCCCC(O)C(=O)CC(F)F 1458a_100000720857_100011934356 [0,2,0,0,0,0|2,0,0]=4 12210 B11R0.68 CCCCC(O)C(=O)NC(C)C 240690a_100138425928_100000720857 [0,2,0,0,0,0|1,0,0]=3 12211 B11R0.68 CCCCC(O)C(=O)NC(C)C 527a_100138425928_100000720857 [0,2,0,0,0,0|1,0,0]=3 12212 B11R0.68 CCCCN(C)C(=O)CC(C)C 11a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 12213 B11R0.68 CCCCN(C)C(=O)CC(C)C 1626a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 12214 B11R0.68 CCCCN(C)C(=O)CC(C)C 240690a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 12215 B11R0.68 CCCCN(C)C(=O)CC(C)C 527a_100000207549_100000210554 [0,2,0,0,0,0|2,0,0]=4 12216 B11R0.68 CCCCN(C)C(=O)C[C@@H](C)O 240690a_100000207549_100011933948 [0,2,0,0,0,0|2,0,0]=4 12217 B11R0.68 CCCCN(C)C(=O)NC(C)C 2708a_100138425928_100000207549 [0,2,0,0,0,0|2,0,0]=4 12218 B11R0.68 CCCCN(C)C(=O)NC(C)C 273464a_100138425928_100000207549 [0,2,0,0,0,0|2,0,0]=4 12219 B11R0.68 CCCNC(C)C(=O)NC(C)C 2230a_100015205314_100000210303 [0,2,0,0,0,0|2,0,0]=4 12220 B11R0.68 CCCNC(C)C(=O)NC(C)C 34a_100015205314_100000210303 [0,2,0,0,0,0|2,0,0]=4 12221 B11R0.68 CCCOC(C)C(=O)NC(C)C 34a_100000210258_100000195394 [0,2,0,0,0,0|2,0,0]=4 12222 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100000210303 [0,2,0,0,0,0|1,0,0]=3 12223 B11R0.68 CCCO[C@H](C)C(=O)OC(C)C 7a_100015307928_100000210303 [0,2,0,0,0,0|1,0,0]=3 12224 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000195394_100000210303 [0,2,0,0,0,0|2,0,0]=4 12225 B11R0.68 CCCSC(C)C(=O)NC(C)C 62a_100000210303_100000195394 [0,2,0,0,0,0|2,0,0]=4 12226 B11R0.68 CCOC[C@H](N)C(=O)OC(C)C 34a_100121572844_100000210202 [0,2,0,0,0,0|1,0,0]=3 12227 B11R0.68 CSCCC(O)C(=O)CC(C)C 1458a_100000685904_100000210624 [0,2,0,0,0,0|2,0,0]=4 12228 B11R0.68 CSCCC(O)C(=O)CC(C)O 1458a_100000685904_100011218427 [0,2,0,0,0,0|2,0,0]=4 12229 B11R0.68 CSCCC(O)C(=O)NC(C)C 240690a_100138425928_100000685904 [0,2,0,0,0,0|2,0,0]=4 12230 B11R0.68 CSCO[C@H](C)C(=O)OC(C)C 34a_100015307928_100011218213 [0,2,0,0,0,0|2,0,0]=4 12231 B11R0.77 C#CC(CCCCC)OC(C)C 34a_100011216489_100000210206 [0,2,0,0,0,0|1,0,1]=4 12232 B11R0.77 C#CC(CCCCC)OC(C)C 7a_100011216489_100000210206 [0,2,0,0,0,0|1,0,1]=4 12233 B11R0.77 C=CC(CCCCC)OC(C)C 34a_100011216863_100000210206 [0,2,0,0,0,0|1,0,1]=4 12234 B11R0.77 C=CC(CCCCC)OC(C)C 7a_100011216863_100000210206 [0,2,0,0,0,0|1,0,1]=4 12235 B11R0.77 CCCCCC(CC)OC(C)C 34a_100011215405_100000210206 [0,2,0,0,0,0|1,0,1]=4 12236 B11R0.77 CCCCCC(CC)OC(C)C 7a_100011215405_100000210206 [0,2,0,0,0,0|1,0,1]=4 12237 B11R0.107 C=C(C)CC(=O)CCC(C)CC 1458a_100000701222_100000748629 [0,2,0,0,0,0|1,0,1]=4 12238 B11R0.107 CC(C)OC(=O)CCC(=O)CO 1458a_100000210174_100000760027 [0,2,0,0,0,0|1,0,1]=4 12239 B11R0.107 CC(C)OC(=O)CN[C@H](C)CO 2230a_100000737577_100011215430 [0,2,0,0,0,0|2,0,0]=4 12240 B11R0.107 CC(C)OC(=O)COC(C)CF 34a_100016041109_100011215430 [0,2,0,0,0,0|2,0,0]=4 12241 B11R0.107 CC(C)OC(=O)COC(C)CF 7a_100016041109_100011215430 [0,2,0,0,0,0|2,0,0]=4 12242 B11R0.107 CC(C)OC(=O)COC(C)CN 34a_100000210904_100011215430 [0,2,0,0,0,0|2,0,0]=4 12243 B11R0.107 CC(C)OC(=O)CSC(C)CO 62a_100012180447_100011215430 [0,2,0,0,0,0|2,0,0]=4 12244 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100011215430_100016084084 [0,2,0,0,0,0|2,0,0]=4 12245 B11R0.107 CC(C)OC(=O)CS[C@H](C)CO 62a_100016084084_100011215430 [0,2,0,0,0,0|2,0,0]=4 12246 B11R0.107 CCC(=O)CCC(=O)NC(C)C 1458a_100000210414_100000737564 [0,2,0,0,0,0|1,0,1]=4 12247 B11R0.107 CCC(=O)CCC(=O)OC(C)C 1458a_100000210414_100000760027 [0,2,0,0,0,0|0,0,1]=3 12248 B11R0.107 CCC(=O)COC(=O)OC(C)C 1458a_100000210414_100000003507 [0,2,0,0,0,0|1,0,1]=4 12249 B11R0.107 CCC(C)CCC(=O)CC(C)C 1458a_100000701222_100000210624 [0,2,0,0,0,0|1,0,0]=3 12250 B11R0.107 CCC(C)CCC(=O)CC(C)O 1458a_100000701222_100011218427 [0,2,0,0,0,0|1,0,0]=3 12251 B11R0.107 CCC(C)CCC(=O)CC(F)F 1458a_100000701222_100011934356 [0,2,0,0,0,0|2,0,0]=4 12252 B11R0.107 CCC(C)CCC(=O)NC(C)C 11a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 12253 B11R0.107 CCC(C)CCC(=O)NC(C)C 1626a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 12254 B11R0.107 CCC(C)CCC(=O)NC(C)C 240690a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 12255 B11R0.107 CCC(C)CCC(=O)NC(C)C 527a_100138425928_100000701222 [0,2,0,0,0,0|1,0,0]=3 12256 B11R0.107 CCC(C)CCC(C)OC(C)C 7a_200011216552_100000210206 [0,2,0,0,0,0|1,0,1]=4 12257 B11R0.107 CCC(C)CNC(=O)CC(C)C 11a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 12258 B11R0.107 CCC(C)CNC(=O)CC(C)C 1626a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 12259 B11R0.107 CCC(C)CNC(=O)CC(C)C 240690a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 12260 B11R0.107 CCC(C)CNC(=O)CC(C)C 527a_100020588543_100000210554 [0,2,0,0,0,0|2,0,0]=4 12261 B11R0.107 CCC(C)CNC(=O)C[C@@H](C)O 240690a_100020588543_100011933948 [0,2,0,0,0,0|2,0,0]=4 12262 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100020588543_100138425928 [0,2,0,0,0,0|2,0,0]=4 12263 B11R0.107 CCC(C)CNC(=O)NC(C)C 2708a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 12264 B11R0.107 CCC(C)CNC(=O)NC(C)C 273464a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 12265 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100020588543_100138425928 [0,2,0,0,0,0|2,0,0]=4 12266 B11R0.107 CCC(C)CNC(=O)NC(C)C 512a_100138425928_100020588543 [0,2,0,0,0,0|2,0,0]=4 12267 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000168517_100000758301 [0,2,0,0,0,0|2,0,0]=4 12268 B11R0.107 CCC(C)NCC(=O)NC(C)C 2230a_100000209981_100000183996 [0,2,0,0,0,0|2,0,0]=4 12269 B11R0.107 CCC(C)NCC(=O)OC(C)C 2230a_100000209981_100011215430 [0,2,0,0,0,0|1,0,0]=3 12270 B11R0.107 CCC(C)OCC(=O)NC(C)C 7a_100000210228_100000183996 [0,2,0,0,0,0|2,0,0]=4 12271 B11R0.107 CCC(C)OCC(=O)OC(C)C 7a_100000210228_100011215430 [0,2,0,0,0,0|1,0,0]=3 12272 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000183996_100000758301 [0,2,0,0,0,0|2,0,0]=4 12273 B11R0.107 CCC(C)SCC(=O)NC(C)C 62a_100000758301_100000183996 [0,2,0,0,0,0|2,0,0]=4 12274 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100000758301_100011215430 [0,2,0,0,0,0|1,0,0]=3 12275 B11R0.107 CCC(C)SCC(=O)OC(C)C 62a_100011215430_100000758301 [0,2,0,0,0,0|1,0,0]=3 12276 B11R0.107 CCC(O)CCC(=O)NC(C)C 1626a_100138425928_203496584001 [0,2,0,0,0,0|1,0,0]=3 12277 B11R0.107 CCC(O)CCC(=O)NC(C)C 240690a_100138425928_203496584001 [0,2,0,0,0,0|1,0,0]=3 12278 B11R0.107 CCC(O)CNC(=O)CC(C)C 11a_100011218483_100000210554 [0,2,0,0,0,0|2,0,0]=4 12279 B11R0.107 CCC(O)CNC(=O)CC(C)C 240690a_100011218483_100000210554 [0,2,0,0,0,0|2,0,0]=4 12280 B11R0.107 CCC(O)CNC(=O)CC(C)C 527a_100011218483_100000210554 [0,2,0,0,0,0|2,0,0]=4 12281 B11R0.107 CCC(O)CNC(=O)C[C@@H](C)O 240690a_100011218483_100011933948 [0,2,0,0,0,0|2,0,0]=4 12282 B11R0.107 CCC(O)CNC(=O)NC(C)C 2708a_100138425928_100011218483 [0,2,0,0,0,0|2,0,0]=4 12283 B11R0.107 CCC(O)CNC(=O)NC(C)C 273464a_100138425928_100011218483 [0,2,0,0,0,0|2,0,0]=4 12284 B11R0.107 CCC(O)CNC(=O)NC(C)C 512a_100011218483_100138425928 [0,2,0,0,0,0|2,0,0]=4 12285 B11R0.107 CCN(C)CCC(=O)CC(C)C 1458a_100000755305_100000210624 [0,2,0,0,0,0|2,0,0]=4 12286 B11R0.107 CCN(C)CCC(=O)CC(C)O 1458a_100000755305_100011218427 [0,2,0,0,0,0|2,0,0]=4 12287 B11R0.107 CCN(C)CCC(=O)NC(C)C 2230a_100000225621_100000737564 [0,2,0,0,0,0|2,0,0]=4 12288 B11R0.107 CCN(C)CCC(=O)NC(C)C 240690a_100138425928_100000755305 [0,2,0,0,0,0|2,0,0]=4 12289 B11R0.107 CCN(C)CCC(=O)NC(C)C 269982a_100000225621_100000737564 [0,2,0,0,0,0|2,0,0]=4 12290 B11R0.107 CCN(C)CCC(=O)OC(C)C 2230a_100000225621_100000760027 [0,2,0,0,0,0|1,0,0]=3 12291 B11R0.107 CCN(C)CCC(=O)OC(C)C 269982a_100000225621_100000760027 [0,2,0,0,0,0|1,0,0]=3 12292 B11R0.107 CCN(C)COC(=O)OC(C)C 269982a_100000225621_100010125566 [0,2,0,0,0,0|2,0,0]=4 12293 B11R0.107 CCS(=O)CCC(=O)CC(C)C 1458a_100011387550_100000210624 [0,2,0,0,0,0|2,0,0]=4 12294 B11R0.107 CCS(=O)CCC(=O)CC(C)O 1458a_100011387550_100011218427 [0,2,0,0,0,0|2,0,0]=4 12295 B11R0.107 CCS(=O)CCC(=O)NC(C)C 11a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 12296 B11R0.107 CCS(=O)CCC(=O)NC(C)C 1626a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 12297 B11R0.107 CCS(=O)CCC(=O)NC(C)C 240690a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 12298 B11R0.107 CCS(=O)CCC(=O)NC(C)C 527a_100138425928_100011387550 [0,2,0,0,0,0|2,0,0]=4 12299 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100009879195_100011215430 [0,2,0,0,0,0|2,0,0]=4 12300 B11R0.107 COC(C)SCC(=O)OC(C)C 62a_100011215430_100009879195 [0,2,0,0,0,0|2,0,0]=4 12301 B11R0.139 CC(C)C(C)C(=O)CCCCF 1458a_100000755409_100000729493 [0,2,0,0,0,0|2,0,0]=4 12302 B11R0.139 CC(C)C(C)C(=O)CCCCO 1458a_100000755409_100000210776 [0,2,0,0,0,0|2,0,0]=4 12303 B11R0.139 CC(C)N(C)C(=O)CCCCO 1626a_200000211004_100000695505 [0,2,0,0,0,0|2,0,0]=4 12304 B11R0.139 CC(C)[C@@H](O)C(=O)CCCCF 1458a_100000691806_100000729493 [0,2,0,0,0,0|2,0,0]=4 12305 B11R0.139 CC(C)[C@@H](O)C(=O)CCCCO 1458a_100000691806_100000210776 [0,2,0,0,0,0|2,0,0]=4 12306 B11R0.139 CCCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210326 [0,2,0,0,0,0|2,0,0]=4 12307 B11R0.139 CCCCCC(=O)C(C)C(=O)C 1458a_100000212188_100000179758 [0,2,0,0,0,0|1,0,1]=4 12308 B11R0.139 CCCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210326 [0,2,0,0,0,0|1,0,0]=3 12309 B11R0.139 CCCCCC(=O)N(C)C(C)C 11a_200000211004_100000212188 [0,2,0,0,0,0|1,0,0]=3 12310 B11R0.139 CCCCCC(=O)N(C)C(C)C 1626a_200000211004_100000212188 [0,2,0,0,0,0|1,0,0]=3 12311 B11R0.139 CCCCCC(=O)N(C)C(C)C 240690a_200000211004_100000212188 [0,2,0,0,0,0|1,0,0]=3 12312 B11R0.139 CCCCCC(=O)N(C)C(C)C 527a_200000211004_100000212188 [0,2,0,0,0,0|1,0,0]=3 12313 B11R0.139 CCCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210326 [0,2,0,0,0,0|2,0,0]=4 12314 B11R0.139 CCCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210326 [0,2,0,0,0,0|1,0,0]=3 12315 B11R0.139 CCCCNC(=O)C(C)C(C)C 11a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 12316 B11R0.139 CCCCNC(=O)C(C)C(C)C 1626a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 12317 B11R0.139 CCCCNC(=O)C(C)C(C)C 240690a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 12318 B11R0.139 CCCCNC(=O)C(C)C(C)C 527a_100000102301_100000755409 [0,2,0,0,0,0|2,0,0]=4 12319 B11R0.139 CCCCNC(=O)N(C)C(C)C 2708a_100000102301_200000211004 [0,2,0,0,0,0|2,0,0]=4 12320 B11R0.139 CCCCNC(=O)N(C)C(C)C 273464a_100000102301_200000211004 [0,2,0,0,0,0|2,0,0]=4 12321 B11R0.139 CCCCNC(=O)[C@H](O)C(C)C 240690a_100000102301_100000691806 [0,2,0,0,0,0|2,0,0]=4 12322 B11R0.139 CCCOCC(=O)N(C)C(C)C 11a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 12323 B11R0.139 CCCOCC(=O)N(C)C(C)C 1626a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 12324 B11R0.139 CCCOCC(=O)N(C)C(C)C 240690a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 12325 B11R0.139 CCCOCC(=O)N(C)C(C)C 34a_100000210258_100000230190 [0,2,0,0,0,0|2,0,0]=4 12326 B11R0.139 CCCOCC(=O)N(C)C(C)C 527a_200000211004_100000745993 [0,2,0,0,0,0|2,0,0]=4 12327 B11R0.139 CCCSCC(=O)N(C)C(C)C 11a_200000211004_100000217233 [0,2,0,0,0,0|2,0,0]=4 12328 B11R0.139 CCCSCC(=O)N(C)C(C)C 1626a_200000211004_100000217233 [0,2,0,0,0,0|2,0,0]=4 12329 B11R0.139 CCCSCC(=O)N(C)C(C)C 240690a_200000211004_100000217233 [0,2,0,0,0,0|2,0,0]=4 12330 B11R0.139 CCCSCC(=O)N(C)C(C)C 527a_200000211004_100000217233 [0,2,0,0,0,0|2,0,0]=4 12331 B11R0.139 CCCSCC(=O)N(C)C(C)C 62a_100000210303_100000230190 [0,2,0,0,0,0|2,0,0]=4 12332 B11R0.139 CCCSCC(=O)N(C)C(C)C 62a_100000230190_100000210303 [0,2,0,0,0,0|2,0,0]=4 12333 B11R0.139 CCOCCC(=O)C(C)C(C)C 1458a_100000755409_100011215890 [0,2,0,0,0,0|2,0,0]=4 12334 B11R0.139 CCOCCC(=O)N(C)C(C)C 11a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 12335 B11R0.139 CCOCCC(=O)N(C)C(C)C 1626a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 12336 B11R0.139 CCOCCC(=O)N(C)C(C)C 240690a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 12337 B11R0.139 CCOCCC(=O)N(C)C(C)C 527a_200000211004_100000749530 [0,2,0,0,0,0|2,0,0]=4 12338 B11R0.139 CCOCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100011215890 [0,2,0,0,0,0|2,0,0]=4 12339 B11R0.139 CCSCCC(=O)C(C)C(C)C 1458a_100000755409_100000757381 [0,2,0,0,0,0|2,0,0]=4 12340 B11R0.139 CCSCCC(=O)N(C)C(C)C 11a_200000211004_100000230768 [0,2,0,0,0,0|2,0,0]=4 12341 B11R0.139 CCSCCC(=O)N(C)C(C)C 1626a_200000211004_100000230768 [0,2,0,0,0,0|2,0,0]=4 12342 B11R0.139 CCSCCC(=O)N(C)C(C)C 240690a_200000211004_100000230768 [0,2,0,0,0,0|2,0,0]=4 12343 B11R0.139 CCSCCC(=O)N(C)C(C)C 527a_200000211004_100000230768 [0,2,0,0,0,0|2,0,0]=4 12344 B11R0.139 CCSCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000757381 [0,2,0,0,0,0|2,0,0]=4 12345 B11R0.139 COCCCC(=O)C(C)C(C)C 1458a_100000755409_100000740836 [0,2,0,0,0,0|2,0,0]=4 12346 B11R0.139 COCCCC(=O)N(C)C(C)C 11a_200000211004_100000741012 [0,2,0,0,0,0|2,0,0]=4 12347 B11R0.139 COCCCC(=O)N(C)C(C)C 1626a_200000211004_100000741012 [0,2,0,0,0,0|2,0,0]=4 12348 B11R0.139 COCCCC(=O)N(C)C(C)C 240690a_200000211004_100000741012 [0,2,0,0,0,0|2,0,0]=4 12349 B11R0.139 COCCCC(=O)N(C)C(C)C 527a_200000211004_100000741012 [0,2,0,0,0,0|2,0,0]=4 12350 B11R0.139 COCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000740836 [0,2,0,0,0,0|2,0,0]=4 12351 B11R0.139 CSCCCC(=O)N(C)C(C)C 11a_200000211004_100000173376 [0,2,0,0,0,0|2,0,0]=4 12352 B11R0.139 CSCCCC(=O)N(C)C(C)C 1626a_200000211004_100000173376 [0,2,0,0,0,0|2,0,0]=4 12353 B11R0.139 CSCCCC(=O)N(C)C(C)C 240690a_200000211004_100000173376 [0,2,0,0,0,0|2,0,0]=4 12354 B11R0.139 CSCCCC(=O)N(C)C(C)C 527a_200000211004_100000173376 [0,2,0,0,0,0|2,0,0]=4 12355 B11R0.154 C#CC(C)NC(=O)CCCCC 11a_100000707721_100000212188 [0,2,0,0,0,0|1,0,0]=3 12356 B11R0.154 C#CC(C)NC(=O)CCCCC 1626a_100000707721_100000212188 [0,2,0,0,0,0|1,0,0]=3 12357 B11R0.154 C#CC(C)NC(=O)CCCCC 240690a_100000707721_100000212188 [0,2,0,0,0,0|1,0,0]=3 12358 B11R0.154 C#CC(C)NC(=O)CCCCC 527a_100000707721_100000212188 [0,2,0,0,0,0|1,0,0]=3 12359 B11R0.154 C#CC(C)NC(=O)CCCCO 1626a_100000707721_100000695505 [0,2,0,0,0,0|2,0,0]=4 12360 B11R0.154 C#CC(C)NC(=O)CCCOC 11a_100000707721_100000741012 [0,2,0,0,0,0|2,0,0]=4 12361 B11R0.154 C#CC(C)NC(=O)CCCOC 1626a_100000707721_100000741012 [0,2,0,0,0,0|2,0,0]=4 12362 B11R0.154 C#CC(C)NC(=O)CCCOC 240690a_100000707721_100000741012 [0,2,0,0,0,0|2,0,0]=4 12363 B11R0.154 C#CC(C)NC(=O)CCCOC 527a_100000707721_100000741012 [0,2,0,0,0,0|2,0,0]=4 12364 B11R0.154 C#CC(C)NC(=O)CCCSC 11a_100000707721_100000173376 [0,2,0,0,0,0|2,0,0]=4 12365 B11R0.154 C#CC(C)NC(=O)CCCSC 1626a_100000707721_100000173376 [0,2,0,0,0,0|2,0,0]=4 12366 B11R0.154 C#CC(C)NC(=O)CCCSC 240690a_100000707721_100000173376 [0,2,0,0,0,0|2,0,0]=4 12367 B11R0.154 C#CC(C)NC(=O)CCCSC 527a_100000707721_100000173376 [0,2,0,0,0,0|2,0,0]=4 12368 B11R0.154 C#CC(C)NC(=O)CCOCC 11a_100000707721_100000749530 [0,2,0,0,0,0|2,0,0]=4 12369 B11R0.154 C#CC(C)NC(=O)CCOCC 1626a_100000707721_100000749530 [0,2,0,0,0,0|2,0,0]=4 12370 B11R0.154 C#CC(C)NC(=O)CCOCC 240690a_100000707721_100000749530 [0,2,0,0,0,0|2,0,0]=4 12371 B11R0.154 C#CC(C)NC(=O)CCOCC 527a_100000707721_100000749530 [0,2,0,0,0,0|2,0,0]=4 12372 B11R0.154 C#CC(C)NC(=O)CCSCC 11a_100000707721_100000230768 [0,2,0,0,0,0|2,0,0]=4 12373 B11R0.154 C#CC(C)NC(=O)CCSCC 1626a_100000707721_100000230768 [0,2,0,0,0,0|2,0,0]=4 12374 B11R0.154 C#CC(C)NC(=O)CCSCC 240690a_100000707721_100000230768 [0,2,0,0,0,0|2,0,0]=4 12375 B11R0.154 C#CC(C)NC(=O)CCSCC 527a_100000707721_100000230768 [0,2,0,0,0,0|2,0,0]=4 12376 B11R0.154 C#CC(C)NC(=O)COCCC 11a_100000707721_100000745993 [0,2,0,0,0,0|2,0,0]=4 12377 B11R0.154 C#CC(C)NC(=O)COCCC 1626a_100000707721_100000745993 [0,2,0,0,0,0|2,0,0]=4 12378 B11R0.154 C#CC(C)NC(=O)COCCC 240690a_100000707721_100000745993 [0,2,0,0,0,0|2,0,0]=4 12379 B11R0.154 C#CC(C)NC(=O)COCCC 527a_100000707721_100000745993 [0,2,0,0,0,0|2,0,0]=4 12380 B11R0.154 C#CC(C)NC(=O)CSCCC 11a_100000707721_100000217233 [0,2,0,0,0,0|2,0,0]=4 12381 B11R0.154 C#CC(C)NC(=O)CSCCC 1626a_100000707721_100000217233 [0,2,0,0,0,0|2,0,0]=4 12382 B11R0.154 C#CC(C)NC(=O)CSCCC 240690a_100000707721_100000217233 [0,2,0,0,0,0|2,0,0]=4 12383 B11R0.154 C#CC(C)NC(=O)CSCCC 527a_100000707721_100000217233 [0,2,0,0,0,0|2,0,0]=4 12384 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000102301_100000707721 [0,2,0,0,0,0|2,0,0]=4 12385 B11R0.154 C#CC(C)NC(=O)NCCCC 2708a_100000707721_100000102301 [0,2,0,0,0,0|2,0,0]=4 12386 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000102301_100000707721 [0,2,0,0,0,0|2,0,0]=4 12387 B11R0.154 C#CC(C)NC(=O)NCCCC 273464a_100000707721_100000102301 [0,2,0,0,0,0|2,0,0]=4 12388 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000102301_100000707721 [0,2,0,0,0,0|2,0,0]=4 12389 B11R0.154 C#CC(C)NC(=O)NCCCC 512a_100000707721_100000102301 [0,2,0,0,0,0|2,0,0]=4 12390 B11R0.154 C#CC(C)OC(C)CCCCC 34a_100011215632_200000035995 [0,2,0,0,0,0|1,0,1]=4 12391 B11R0.154 C#C[C@@H](C)OC(C)CCCCC 34a_100009815206_200011218191 [0,2,0,0,0,0|1,0,1]=4 12392 B11R0.154 C#C[C@@H](C)OC(C)CCCCC 7a_100009815206_200011218191 [0,2,0,0,0,0|1,0,1]=4 12393 B11R0.154 C=CC(C)CC(=O)CCCCC 1458a_100011934298_100000210326 [0,2,0,0,0,0|1,0,0]=3 12394 B11R0.154 C=CC(C)CC(=O)CCCCF 1458a_100011934298_100000729493 [0,2,0,0,0,0|2,0,0]=4 12395 B11R0.154 C=CC(C)CC(=O)CCCCO 1458a_100011934298_100000210776 [0,2,0,0,0,0|2,0,0]=4 12396 B11R0.154 C=CC(C)CC(=O)CCCOC 1458a_100011934298_100000740836 [0,2,0,0,0,0|2,0,0]=4 12397 B11R0.154 C=CC(C)CC(=O)CCOCC 1458a_100011934298_100011215890 [0,2,0,0,0,0|2,0,0]=4 12398 B11R0.154 C=CC(C)CC(=O)CCSCC 1458a_100011934298_100000757381 [0,2,0,0,0,0|2,0,0]=4 12399 B11R0.154 C=CC(C)CC(=O)NCCCC 11a_100000102301_100011934298 [0,2,0,0,0,0|2,0,0]=4 12400 B11R0.154 C=CC(C)CC(=O)NCCCC 1626a_100000102301_100011934298 [0,2,0,0,0,0|2,0,0]=4 12401 B11R0.154 C=CC(C)CC(=O)NCCCC 240690a_100000102301_100011934298 [0,2,0,0,0,0|2,0,0]=4 12402 B11R0.154 C=CC(C)CC(=O)NCCCC 527a_100000102301_100011934298 [0,2,0,0,0,0|2,0,0]=4 12403 B11R0.154 C=CC(C)OC(C)CCCCC 34a_100000695699_200011218191 [0,2,0,0,0,0|1,0,1]=4 12404 B11R0.154 CC(C#N)NC(=O)CCCCO 1626a_100000737613_100000695505 [0,2,0,0,0,0|2,0,0]=4 12405 B11R0.154 CCC(=CC(=O)CCCCF)C 1458a_100020758463_100000729493 [0,2,0,0,0,0|2,0,0]=4 12406 B11R0.154 CCC(=CC(=O)CCCCO)C 1458a_100020758463_100000210776 [0,2,0,0,0,0|2,0,0]=4 12407 B11R0.154 CCC(=CC(=O)CCCOC)C 1458a_100020758463_100000740836 [0,2,0,0,0,0|2,0,0]=4 12408 B11R0.154 CCC(=O)CC(=O)CCCCO 1458a_100000695505_100000747405 [0,2,0,0,0,0|2,0,0]=4 12409 B11R0.154 CCC(=O)CC(=O)CCCOC 1458a_100000741012_100000747405 [0,2,0,0,0,0|2,0,0]=4 12410 B11R0.154 CCC(=O)CC(=O)CCCSC 1458a_100000173376_100000747405 [0,2,0,0,0,0|2,0,0]=4 12411 B11R0.154 CCC(C)CC(=O)CCCCF 1458a_100000708755_100000729493 [0,2,0,0,0,0|2,0,0]=4 12412 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000695505_100000748023 [0,2,0,0,0,0|2,0,0]=4 12413 B11R0.154 CCC(C)CC(=O)CCCCO 1458a_100000708755_100000210776 [0,2,0,0,0,0|2,0,0]=4 12414 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000708755_100000740836 [0,2,0,0,0,0|2,0,0]=4 12415 B11R0.154 CCC(C)CC(=O)CCCOC 1458a_100000741012_100000748023 [0,2,0,0,0,0|2,0,0]=4 12416 B11R0.154 CCC(C)CC(=O)CCCSC 1458a_100000173376_100000748023 [0,2,0,0,0,0|2,0,0]=4 12417 B11R0.154 CCC(C)NC(=O)CCCCO 1626a_100000209981_100000695505 [0,2,0,0,0,0|2,0,0]=4 12418 B11R0.154 CCC(C)NC(=O)CCCOC 11a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 12419 B11R0.154 CCC(C)NC(=O)CCCOC 1626a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 12420 B11R0.154 CCC(C)NC(=O)CCCOC 240690a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 12421 B11R0.154 CCC(C)NC(=O)CCCOC 527a_100000209981_100000741012 [0,2,0,0,0,0|2,0,0]=4 12422 B11R0.154 CCC(C)NC(=O)CCCSC 11a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 12423 B11R0.154 CCC(C)NC(=O)CCCSC 1626a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 12424 B11R0.154 CCC(C)NC(=O)CCCSC 240690a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 12425 B11R0.154 CCC(C)NC(=O)CCCSC 527a_100000209981_100000173376 [0,2,0,0,0,0|2,0,0]=4 12426 B11R0.154 CCC(O)CC(=O)CCCCF 1458a_100011667805_100000729493 [0,2,0,0,0,0|2,0,0]=4 12427 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100000695505_100011218378 [0,2,0,0,0,0|2,0,0]=4 12428 B11R0.154 CCC(O)CC(=O)CCCCO 1458a_100011667805_100000210776 [0,2,0,0,0,0|2,0,0]=4 12429 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100000741012_100011218378 [0,2,0,0,0,0|2,0,0]=4 12430 B11R0.154 CCC(O)CC(=O)CCCOC 1458a_100011667805_100000740836 [0,2,0,0,0,0|2,0,0]=4 12431 B11R0.154 CCC(O)CC(=O)CCCSC 1458a_100000173376_100011218378 [0,2,0,0,0,0|2,0,0]=4 12432 B11R0.154 CCCCCC(=O)C=C(C)CC 1458a_100020758463_100000210326 [0,2,0,0,0,0|1,0,0]=3 12433 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000210414_200012276598 [0,2,0,0,0,0|1,0,0]=3 12434 B11R0.154 CCCCCC(=O)CC(=O)CC 1458a_100000212188_100000747405 [0,2,0,0,0,0|1,0,0]=3 12435 B11R0.154 CCCCCC(=O)CC(=O)CO 1458a_100000210174_200012276598 [0,2,0,0,0,0|1,0,1]=4 12436 B11R0.154 CCCCCC(=O)CC(=O)NC 1458a_100000212188_100000183359 [0,2,0,0,0,0|1,0,1]=4 12437 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000211351_100000210326 [0,2,0,0,0,0|1,0,1]=4 12438 B11R0.154 CCCCCC(=O)CC(=O)OC 1458a_100000212188_100000747449 [0,2,0,0,0,0|1,0,1]=4 12439 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000212188_100000748023 [0,2,0,0,0,0|1,0,0]=3 12440 B11R0.154 CCCCCC(=O)CC(C)CC 1458a_100000708755_100000210326 [0,2,0,0,0,0|1,0,0]=3 12441 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100000212188_100011218378 [0,2,0,0,0,0|1,0,0]=3 12442 B11R0.154 CCCCCC(=O)CC(O)CC 1458a_100011667805_100000210326 [0,2,0,0,0,0|1,0,0]=3 12443 B11R0.154 CCCCCC(=O)CN(C)CC 1458a_100116209913_100000210326 [0,2,0,0,0,0|1,0,0]=3 12444 B11R0.154 CCCCCC(=O)CN(C)CC 2230a_100000225621_200012276598 [0,2,0,0,0,0|1,0,0]=3 12445 B11R0.154 CCCCCC(=O)CN(C)CC 269982a_100000225621_200012276598 [0,2,0,0,0,0|1,0,0]=3 12446 B11R0.154 CCCCCC(=O)C[C@@H](C)CC 1458a_100000212188_100009816398 [0,2,0,0,0,0|1,0,0]=3 12447 B11R0.154 CCCCCC(=O)C[C@@H](C)CO 1458a_100000212188_100000059175 [0,2,0,0,0,0|1,0,0]=3 12448 B11R0.154 CCCCCC(=O)NC(C)C#N 11a_100000737613_100000212188 [0,2,0,0,0,0|1,0,0]=3 12449 B11R0.154 CCCCCC(=O)NC(C)C#N 1626a_100000737613_100000212188 [0,2,0,0,0,0|1,0,0]=3 12450 B11R0.154 CCCCCC(=O)NC(C)C#N 527a_100000737613_100000212188 [0,2,0,0,0,0|1,0,0]=3 12451 B11R0.154 CCCCCC(=O)NC(C)CC 11a_100000209981_100000212188 [0,2,0,0,0,0|1,0,0]=3 12452 B11R0.154 CCCCCC(=O)NC(C)CC 1626a_100000209981_100000212188 [0,2,0,0,0,0|1,0,0]=3 12453 B11R0.154 CCCCCC(=O)NC(C)CC 240690a_100000209981_100000212188 [0,2,0,0,0,0|1,0,0]=3 12454 B11R0.154 CCCCCC(=O)NC(C)CC 527a_100000209981_100000212188 [0,2,0,0,0,0|1,0,0]=3 12455 B11R0.154 CCCCCC(=O)N[C@H](C)CF 11a_100102880703_100000212188 [0,2,0,0,0,0|1,0,0]=3 12456 B11R0.154 CCCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000212188 [0,2,0,0,0,0|1,0,0]=3 12457 B11R0.154 CCCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000212188 [0,2,0,0,0,0|1,0,0]=3 12458 B11R0.154 CCCCCC(=O)N[C@H](C)CF 527a_100102880703_100000212188 [0,2,0,0,0,0|1,0,0]=3 12459 B11R0.154 CCCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000212188 [0,2,0,0,0,0|1,0,0]=3 12460 B11R0.154 CCCCCC(=O)N[C@H](C)CO 527a_100000737577_100000212188 [0,2,0,0,0,0|1,0,0]=3 12461 B11R0.154 CCCCCC(C)OC(C)C#N 34a_100011218135_200011218191 [0,2,0,0,0,0|1,0,1]=4 12462 B11R0.154 CCCCCC(C)OC(C)C#N 7a_100011215632_100000703298 [0,2,0,0,0,0|1,0,1]=4 12463 B11R0.154 CCCCCC(C)OC(C)CC 34a_100011215632_100011215416 [0,2,0,0,0,0|1,0,1]=4 12464 B11R0.154 CCCCCC(C)OC(C)CC 7a_100000210228_200011218191 [0,2,0,0,0,0|1,0,1]=4 12465 B11R0.154 CCCCCC(C)OC(C)CC 7a_100011215632_100000758301 [0,2,0,0,0,0|1,0,1]=4 12466 B11R0.154 CCCCCC(C)OC(C)CF 34a_100016041109_200011218191 [0,2,0,0,0,0|1,0,1]=4 12467 B11R0.154 CCCCCC(C)OC(C)CF 7a_100016041109_200011218191 [0,2,0,0,0,0|1,0,1]=4 12468 B11R0.154 CCCCCC(C)OC(C)CN 34a_100000210904_200011218191 [0,2,0,0,0,0|1,0,1]=4 12469 B11R0.154 CCCCCC(C)OC(C)CO 34a_100011215632_100012180447 [0,2,0,0,0,0|1,0,1]=4 12470 B11R0.154 CCCCCC(C)OC(C)CO 7a_100011215632_100012180447 [0,2,0,0,0,0|1,0,1]=4 12471 B11R0.154 CCCCNC(=O)C=C(C)CC 11a_100000102301_100020758463 [0,2,0,0,0,0|2,0,0]=4 12472 B11R0.154 CCCCNC(=O)C=C(C)CC 1626a_100000102301_100020758463 [0,2,0,0,0,0|2,0,0]=4 12473 B11R0.154 CCCCNC(=O)C=C(C)CC 240690a_100000102301_100020758463 [0,2,0,0,0,0|2,0,0]=4 12474 B11R0.154 CCCCNC(=O)CC(=O)CC 1458a_100000210414_100000182744 [0,2,0,0,0,0|2,0,0]=4 12475 B11R0.154 CCCCNC(=O)CC(C)CC 11a_100000102301_100000708755 [0,2,0,0,0,0|2,0,0]=4 12476 B11R0.154 CCCCNC(=O)CC(C)CC 1626a_100000102301_100000708755 [0,2,0,0,0,0|2,0,0]=4 12477 B11R0.154 CCCCNC(=O)CC(C)CC 240690a_100000102301_100000708755 [0,2,0,0,0,0|2,0,0]=4 12478 B11R0.154 CCCCNC(=O)CC(C)CC 527a_100000102301_100000708755 [0,2,0,0,0,0|2,0,0]=4 12479 B11R0.154 CCCCNC(=O)CC(O)CC 1626a_100000102301_100011667805 [0,2,0,0,0,0|2,0,0]=4 12480 B11R0.154 CCCCNC(=O)CC(O)CC 240690a_100000102301_100011667805 [0,2,0,0,0,0|2,0,0]=4 12481 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_100000225621_100000182744 [0,2,0,0,0,0|2,0,0]=4 12482 B11R0.154 CCCCNC(=O)CN(C)CC 2230a_200000213093_100000210202 [0,2,0,0,0,0|2,0,0]=4 12483 B11R0.154 CCCCNC(=O)CN(C)CC 240690a_100000102301_100116209913 [0,2,0,0,0,0|2,0,0]=4 12484 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_100000225621_100000182744 [0,2,0,0,0,0|2,0,0]=4 12485 B11R0.154 CCCCNC(=O)CN(C)CC 269982a_200000213093_100000204670 [0,2,0,0,0,0|2,0,0]=4 12486 B11R0.154 CCCCNC(=O)CN(C)CC 527a_100000102301_100116209913 [0,2,0,0,0,0|2,0,0]=4 12487 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000102301_100000737613 [0,2,0,0,0,0|2,0,0]=4 12488 B11R0.154 CCCCNC(=O)NC(C)C#N 2708a_100000737613_100000102301 [0,2,0,0,0,0|2,0,0]=4 12489 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000102301_100000737613 [0,2,0,0,0,0|2,0,0]=4 12490 B11R0.154 CCCCNC(=O)NC(C)C#N 273464a_100000737613_100000102301 [0,2,0,0,0,0|2,0,0]=4 12491 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000102301_100000737613 [0,2,0,0,0,0|2,0,0]=4 12492 B11R0.154 CCCCNC(=O)NC(C)C#N 512a_100000737613_100000102301 [0,2,0,0,0,0|2,0,0]=4 12493 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 12494 B11R0.154 CCCCNC(=O)NC(C)CC 2708a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 12495 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 12496 B11R0.154 CCCCNC(=O)NC(C)CC 273464a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 12497 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000102301_100000209981 [0,2,0,0,0,0|2,0,0]=4 12498 B11R0.154 CCCCNC(=O)NC(C)CC 512a_100000209981_100000102301 [0,2,0,0,0,0|2,0,0]=4 12499 B11R0.154 CCCCNC(=O)N[C@H](C)CF 2708a_100000102301_100102880703 [0,2,0,0,0,0|2,0,0]=4 12500 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100000102301_100102880703 [0,2,0,0,0,0|2,0,0]=4 12501 B11R0.154 CCCCNC(=O)N[C@H](C)CF 273464a_100102880703_100000102301 [0,2,0,0,0,0|2,0,0]=4 12502 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100000102301_100102880703 [0,2,0,0,0,0|2,0,0]=4 12503 B11R0.154 CCCCNC(=O)N[C@H](C)CF 512a_100102880703_100000102301 [0,2,0,0,0,0|2,0,0]=4 12504 B11R0.154 CCCCNC(=O)N[C@H](C)CO 2708a_100000102301_100000737577 [0,2,0,0,0,0|2,0,0]=4 12505 B11R0.154 CCCCNC(=O)N[C@H](C)CO 273464a_100000737577_100000102301 [0,2,0,0,0,0|2,0,0]=4 12506 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000102301_100000737577 [0,2,0,0,0,0|2,0,0]=4 12507 B11R0.154 CCCCNC(=O)N[C@H](C)CO 512a_100000737577_100000102301 [0,2,0,0,0,0|2,0,0]=4 12508 B11R0.154 CCCCOC(=O)CC(=O)CC 1458a_100000210414_100000211628 [0,2,0,0,0,0|2,0,0]=4 12509 B11R0.154 CCCCOC(=O)CN(C)CC 2230a_100000225621_100000211628 [0,2,0,0,0,0|2,0,0]=4 12510 B11R0.154 CCCCOC(=O)CN(C)CC 269982a_100000225621_100000211628 [0,2,0,0,0,0|2,0,0]=4 12511 B11R0.154 CCCOCC(=O)CC(=O)CC 1458a_100000745993_100000747405 [0,2,0,0,0,0|2,0,0]=4 12512 B11R0.154 CCCOCC(=O)CC(C)CC 1458a_100000745993_100000748023 [0,2,0,0,0,0|2,0,0]=4 12513 B11R0.154 CCCOCC(=O)CC(O)CC 1458a_100000745993_100011218378 [0,2,0,0,0,0|2,0,0]=4 12514 B11R0.154 CCCOCC(=O)C[C@@H](C)CC 1458a_100000745993_100009816398 [0,2,0,0,0,0|2,0,0]=4 12515 B11R0.154 CCCOCC(=O)C[C@@H](C)CO 1458a_100000745993_100000059175 [0,2,0,0,0,0|2,0,0]=4 12516 B11R0.154 CCCOCC(=O)NC(C)C#N 11a_100000737613_100000745993 [0,2,0,0,0,0|2,0,0]=4 12517 B11R0.154 CCCOCC(=O)NC(C)C#N 1626a_100000737613_100000745993 [0,2,0,0,0,0|2,0,0]=4 12518 B11R0.154 CCCOCC(=O)NC(C)C#N 527a_100000737613_100000745993 [0,2,0,0,0,0|2,0,0]=4 12519 B11R0.154 CCCOCC(=O)NC(C)CC 11a_100000209981_100000745993 [0,2,0,0,0,0|2,0,0]=4 12520 B11R0.154 CCCOCC(=O)NC(C)CC 1626a_100000209981_100000745993 [0,2,0,0,0,0|2,0,0]=4 12521 B11R0.154 CCCOCC(=O)NC(C)CC 240690a_100000209981_100000745993 [0,2,0,0,0,0|2,0,0]=4 12522 B11R0.154 CCCOCC(=O)NC(C)CC 34a_100000210258_100000182745 [0,2,0,0,0,0|2,0,0]=4 12523 B11R0.154 CCCOCC(=O)NC(C)CC 527a_100000209981_100000745993 [0,2,0,0,0,0|2,0,0]=4 12524 B11R0.154 CCCOCC(=O)N[C@H](C)CF 11a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 12525 B11R0.154 CCCOCC(=O)N[C@H](C)CF 1626a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 12526 B11R0.154 CCCOCC(=O)N[C@H](C)CF 240690a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 12527 B11R0.154 CCCOCC(=O)N[C@H](C)CF 527a_100102880703_100000745993 [0,2,0,0,0,0|2,0,0]=4 12528 B11R0.154 CCCOCC(=O)N[C@H](C)CO 240690a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 12529 B11R0.154 CCCOCC(=O)N[C@H](C)CO 527a_100000737577_100000745993 [0,2,0,0,0,0|2,0,0]=4 12530 B11R0.154 CCCSCC(=O)CC(=O)CC 1458a_100000217233_100000747405 [0,2,0,0,0,0|2,0,0]=4 12531 B11R0.154 CCCSCC(=O)CC(C)CC 1458a_100000217233_100000748023 [0,2,0,0,0,0|2,0,0]=4 12532 B11R0.154 CCCSCC(=O)CC(O)CC 1458a_100000217233_100011218378 [0,2,0,0,0,0|2,0,0]=4 12533 B11R0.154 CCCSCC(=O)C[C@@H](C)CC 1458a_100000217233_100009816398 [0,2,0,0,0,0|2,0,0]=4 12534 B11R0.154 CCCSCC(=O)C[C@@H](C)CO 1458a_100000217233_100000059175 [0,2,0,0,0,0|2,0,0]=4 12535 B11R0.154 CCCSCC(=O)NC(C)C#N 11a_100000737613_100000217233 [0,2,0,0,0,0|2,0,0]=4 12536 B11R0.154 CCCSCC(=O)NC(C)C#N 1626a_100000737613_100000217233 [0,2,0,0,0,0|2,0,0]=4 12537 B11R0.154 CCCSCC(=O)NC(C)C#N 527a_100000737613_100000217233 [0,2,0,0,0,0|2,0,0]=4 12538 B11R0.154 CCCSCC(=O)NC(C)CC 11a_100000209981_100000217233 [0,2,0,0,0,0|2,0,0]=4 12539 B11R0.154 CCCSCC(=O)NC(C)CC 1626a_100000209981_100000217233 [0,2,0,0,0,0|2,0,0]=4 12540 B11R0.154 CCCSCC(=O)NC(C)CC 240690a_100000209981_100000217233 [0,2,0,0,0,0|2,0,0]=4 12541 B11R0.154 CCCSCC(=O)NC(C)CC 527a_100000209981_100000217233 [0,2,0,0,0,0|2,0,0]=4 12542 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000182745_100000210303 [0,2,0,0,0,0|2,0,0]=4 12543 B11R0.154 CCCSCC(=O)NC(C)CC 62a_100000210303_100000182745 [0,2,0,0,0,0|2,0,0]=4 12544 B11R0.154 CCCSCC(=O)N[C@H](C)CF 11a_100102880703_100000217233 [0,2,0,0,0,0|2,0,0]=4 12545 B11R0.154 CCCSCC(=O)N[C@H](C)CF 1626a_100102880703_100000217233 [0,2,0,0,0,0|2,0,0]=4 12546 B11R0.154 CCCSCC(=O)N[C@H](C)CF 240690a_100102880703_100000217233 [0,2,0,0,0,0|2,0,0]=4 12547 B11R0.154 CCCSCC(=O)N[C@H](C)CF 527a_100102880703_100000217233 [0,2,0,0,0,0|2,0,0]=4 12548 B11R0.154 CCCSCC(=O)N[C@H](C)CO 240690a_100000737577_100000217233 [0,2,0,0,0,0|2,0,0]=4 12549 B11R0.154 CCCSCC(=O)N[C@H](C)CO 527a_100000737577_100000217233 [0,2,0,0,0,0|2,0,0]=4 12550 B11R0.154 CCN(C)CC(=O)CCCCF 1458a_100116209913_100000729493 [0,2,0,0,0,0|2,0,0]=4 12551 B11R0.154 CCN(C)CC(=O)CCCCO 1458a_100116209913_100000210776 [0,2,0,0,0,0|2,0,0]=4 12552 B11R0.154 CCN(C)CC(=O)CCCOC 1458a_100116209913_100000740836 [0,2,0,0,0,0|2,0,0]=4 12553 B11R0.154 CCOCCC(=O)C=C(C)CC 1458a_100020758463_100011215890 [0,2,0,0,0,0|2,0,0]=4 12554 B11R0.154 CCOCCC(=O)CC(=O)CC 1458a_100000749530_100000747405 [0,2,0,0,0,0|2,0,0]=4 12555 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000708755_100011215890 [0,2,0,0,0,0|2,0,0]=4 12556 B11R0.154 CCOCCC(=O)CC(C)CC 1458a_100000749530_100000748023 [0,2,0,0,0,0|2,0,0]=4 12557 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100000749530_100011218378 [0,2,0,0,0,0|2,0,0]=4 12558 B11R0.154 CCOCCC(=O)CC(O)CC 1458a_100011667805_100011215890 [0,2,0,0,0,0|2,0,0]=4 12559 B11R0.154 CCOCCC(=O)CN(C)CC 1458a_100116209913_100011215890 [0,2,0,0,0,0|2,0,0]=4 12560 B11R0.154 CCOCCC(=O)C[C@@H](C)CC 1458a_100000749530_100009816398 [0,2,0,0,0,0|2,0,0]=4 12561 B11R0.154 CCOCCC(=O)C[C@@H](C)CO 1458a_100000749530_100000059175 [0,2,0,0,0,0|2,0,0]=4 12562 B11R0.154 CCOCCC(=O)NC(C)C#N 11a_100000737613_100000749530 [0,2,0,0,0,0|2,0,0]=4 12563 B11R0.154 CCOCCC(=O)NC(C)C#N 1626a_100000737613_100000749530 [0,2,0,0,0,0|2,0,0]=4 12564 B11R0.154 CCOCCC(=O)NC(C)C#N 527a_100000737613_100000749530 [0,2,0,0,0,0|2,0,0]=4 12565 B11R0.154 CCOCCC(=O)NC(C)CC 11a_100000209981_100000749530 [0,2,0,0,0,0|2,0,0]=4 12566 B11R0.154 CCOCCC(=O)NC(C)CC 1626a_100000209981_100000749530 [0,2,0,0,0,0|2,0,0]=4 12567 B11R0.154 CCOCCC(=O)NC(C)CC 240690a_100000209981_100000749530 [0,2,0,0,0,0|2,0,0]=4 12568 B11R0.154 CCOCCC(=O)NC(C)CC 527a_100000209981_100000749530 [0,2,0,0,0,0|2,0,0]=4 12569 B11R0.154 CCOCCC(=O)N[C@H](C)CF 11a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 12570 B11R0.154 CCOCCC(=O)N[C@H](C)CF 1626a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 12571 B11R0.154 CCOCCC(=O)N[C@H](C)CF 240690a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 12572 B11R0.154 CCOCCC(=O)N[C@H](C)CF 527a_100102880703_100000749530 [0,2,0,0,0,0|2,0,0]=4 12573 B11R0.154 CCOCCC(=O)N[C@H](C)CO 240690a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 12574 B11R0.154 CCOCCC(=O)N[C@H](C)CO 527a_100000737577_100000749530 [0,2,0,0,0,0|2,0,0]=4 12575 B11R0.154 CCSCCC(=O)C=C(C)CC 1458a_100020758463_100000757381 [0,2,0,0,0,0|2,0,0]=4 12576 B11R0.154 CCSCCC(=O)CC(=O)CC 1458a_100000230768_100000747405 [0,2,0,0,0,0|2,0,0]=4 12577 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000230768_100000748023 [0,2,0,0,0,0|2,0,0]=4 12578 B11R0.154 CCSCCC(=O)CC(C)CC 1458a_100000708755_100000757381 [0,2,0,0,0,0|2,0,0]=4 12579 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100000230768_100011218378 [0,2,0,0,0,0|2,0,0]=4 12580 B11R0.154 CCSCCC(=O)CC(O)CC 1458a_100011667805_100000757381 [0,2,0,0,0,0|2,0,0]=4 12581 B11R0.154 CCSCCC(=O)CN(C)CC 1458a_100116209913_100000757381 [0,2,0,0,0,0|2,0,0]=4 12582 B11R0.154 CCSCCC(=O)C[C@@H](C)CC 1458a_100000230768_100009816398 [0,2,0,0,0,0|2,0,0]=4 12583 B11R0.154 CCSCCC(=O)C[C@@H](C)CO 1458a_100000230768_100000059175 [0,2,0,0,0,0|2,0,0]=4 12584 B11R0.154 CCSCCC(=O)NC(C)C#N 11a_100000737613_100000230768 [0,2,0,0,0,0|2,0,0]=4 12585 B11R0.154 CCSCCC(=O)NC(C)C#N 1626a_100000737613_100000230768 [0,2,0,0,0,0|2,0,0]=4 12586 B11R0.154 CCSCCC(=O)NC(C)C#N 527a_100000737613_100000230768 [0,2,0,0,0,0|2,0,0]=4 12587 B11R0.154 CCSCCC(=O)NC(C)CC 11a_100000209981_100000230768 [0,2,0,0,0,0|2,0,0]=4 12588 B11R0.154 CCSCCC(=O)NC(C)CC 1626a_100000209981_100000230768 [0,2,0,0,0,0|2,0,0]=4 12589 B11R0.154 CCSCCC(=O)NC(C)CC 240690a_100000209981_100000230768 [0,2,0,0,0,0|2,0,0]=4 12590 B11R0.154 CCSCCC(=O)NC(C)CC 527a_100000209981_100000230768 [0,2,0,0,0,0|2,0,0]=4 12591 B11R0.154 CCSCCC(=O)N[C@H](C)CF 11a_100102880703_100000230768 [0,2,0,0,0,0|2,0,0]=4 12592 B11R0.154 CCSCCC(=O)N[C@H](C)CF 1626a_100102880703_100000230768 [0,2,0,0,0,0|2,0,0]=4 12593 B11R0.154 CCSCCC(=O)N[C@H](C)CF 240690a_100102880703_100000230768 [0,2,0,0,0,0|2,0,0]=4 12594 B11R0.154 CCSCCC(=O)N[C@H](C)CF 527a_100102880703_100000230768 [0,2,0,0,0,0|2,0,0]=4 12595 B11R0.154 CCSCCC(=O)N[C@H](C)CO 240690a_100000737577_100000230768 [0,2,0,0,0,0|2,0,0]=4 12596 B11R0.154 CCSCCC(=O)N[C@H](C)CO 527a_100000737577_100000230768 [0,2,0,0,0,0|2,0,0]=4 12597 B11R0.154 CC[C@H](C)CC(=O)CCCCO 1458a_100000695505_100009816398 [0,2,0,0,0,0|2,0,0]=4 12598 B11R0.154 CC[C@H](C)CC(=O)CCCOC 1458a_100000741012_100009816398 [0,2,0,0,0,0|2,0,0]=4 12599 B11R0.154 CC[C@H](C)CC(=O)CCCSC 1458a_100000173376_100009816398 [0,2,0,0,0,0|2,0,0]=4 12600 B11R0.154 COCCCC(=O)C[C@@H](C)CO 1458a_100000741012_100000059175 [0,2,0,0,0,0|2,0,0]=4 12601 B11R0.154 COCCCC(=O)NC(C)C#N 11a_100000737613_100000741012 [0,2,0,0,0,0|2,0,0]=4 12602 B11R0.154 COCCCC(=O)NC(C)C#N 1626a_100000737613_100000741012 [0,2,0,0,0,0|2,0,0]=4 12603 B11R0.154 COCCCC(=O)NC(C)C#N 527a_100000737613_100000741012 [0,2,0,0,0,0|2,0,0]=4 12604 B11R0.154 COCCCC(=O)N[C@H](C)CF 11a_100102880703_100000741012 [0,2,0,0,0,0|2,0,0]=4 12605 B11R0.154 COCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000741012 [0,2,0,0,0,0|2,0,0]=4 12606 B11R0.154 COCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000741012 [0,2,0,0,0,0|2,0,0]=4 12607 B11R0.154 COCCCC(=O)N[C@H](C)CF 527a_100102880703_100000741012 [0,2,0,0,0,0|2,0,0]=4 12608 B11R0.154 COCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000741012 [0,2,0,0,0,0|2,0,0]=4 12609 B11R0.154 COCCCC(=O)N[C@H](C)CO 527a_100000737577_100000741012 [0,2,0,0,0,0|2,0,0]=4 12610 B11R0.154 CSCCCC(=O)C[C@@H](C)CO 1458a_100000173376_100000059175 [0,2,0,0,0,0|2,0,0]=4 12611 B11R0.154 CSCCCC(=O)NC(C)C#N 11a_100000737613_100000173376 [0,2,0,0,0,0|2,0,0]=4 12612 B11R0.154 CSCCCC(=O)NC(C)C#N 1626a_100000737613_100000173376 [0,2,0,0,0,0|2,0,0]=4 12613 B11R0.154 CSCCCC(=O)NC(C)C#N 527a_100000737613_100000173376 [0,2,0,0,0,0|2,0,0]=4 12614 B11R0.154 CSCCCC(=O)N[C@H](C)CF 11a_100102880703_100000173376 [0,2,0,0,0,0|2,0,0]=4 12615 B11R0.154 CSCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000173376 [0,2,0,0,0,0|2,0,0]=4 12616 B11R0.154 CSCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000173376 [0,2,0,0,0,0|2,0,0]=4 12617 B11R0.154 CSCCCC(=O)N[C@H](C)CF 527a_100102880703_100000173376 [0,2,0,0,0,0|2,0,0]=4 12618 B11R0.154 CSCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000173376 [0,2,0,0,0,0|2,0,0]=4 12619 B11R0.154 CSCCCC(=O)N[C@H](C)CO 527a_100000737577_100000173376 [0,2,0,0,0,0|2,0,0]=4 12620 B11R0.154 C[C@@H](CO)CC(=O)CCCCO 1458a_100000695505_100000059175 [0,2,0,0,0,0|2,0,0]=4 12621 B11R0.154 C[C@H](CF)NC(=O)CCCCO 1626a_100102880703_100000695505 [0,2,0,0,0,0|2,0,0]=4 12622 B11R0.165 CC(C)(C)CC(=O)CCCCF 1458a_100000211214_100000729493 [0,2,0,0,0,0|2,0,0]=4 12623 B11R0.165 CC(C)(C)CC(=O)CCCCO 1458a_100000211214_100000210776 [0,2,0,0,0,0|2,0,0]=4 12624 B11R0.165 CC(C)(C)NC(=O)CCCCO 1626a_100000715429_100000695505 [0,2,0,0,0,0|2,0,0]=4 12625 B11R0.165 CC(C)(C)NC(=O)CCCS[13CH3] 62a_100011194434_200025704644 [0,2,0,0,0,0|2,0,0]=4 12626 B11R0.165 CC(C)(C)NC(=O)CCCS[13CH3] 62a_200025704644_100011194434 [0,2,0,0,0,0|2,0,0]=4 12627 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 34a_100000067108_200025704644 [0,2,0,0,0,0|1,0,0]=3 12628 B11R0.165 CC(C)(C)OC(=O)CCCO[13CH3] 7a_100000067108_200025704644 [0,2,0,0,0,0|1,0,0]=3 12629 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_100000708543_200025704644 [0,2,0,0,0,0|1,0,0]=3 12630 B11R0.165 CC(C)(C)OC(=O)CCCS[13CH3] 62a_200025704644_100000708543 [0,2,0,0,0,0|1,0,0]=3 12631 B11R0.165 CC(C)(C)OC(=O)CCOCF 34a_100011934494_100015361967 [0,2,0,0,0,0|2,0,0]=4 12632 B11R0.165 CC(C)(C)OC(=O)CCOCF 7a_100011934494_100015361967 [0,2,0,0,0,0|2,0,0]=4 12633 B11R0.165 CC(C)(C)OC(=O)CCSCF 62a_100009816755_100015361967 [0,2,0,0,0,0|2,0,0]=4 12634 B11R0.165 CC(C)(C)OC(=O)CCSCF 62a_100015361967_100009816755 [0,2,0,0,0,0|2,0,0]=4 12635 B11R0.165 CC(C)(C)OC(=O)CNCCF 34a_100000724931_100000183872 [0,2,0,0,0,0|2,0,0]=4 12636 B11R0.165 CC(C)(C)OC(=O)CNCCO 2230a_100016997473_100000183872 [0,2,0,0,0,0|2,0,0]=4 12637 B11R0.165 CC(C)(C)OC(=O)CNCCO 34a_100016990907_100000183872 [0,2,0,0,0,0|2,0,0]=4 12638 B11R0.165 CC(C)(C)OC(=O)COCCBr 34a_100000211926_100000183872 [0,2,0,0,0,0|2,0,0]=4 12639 B11R0.165 CC(C)(C)OC(=O)COCCF 34a_100000752683_100011217306 [0,2,0,0,0,0|2,0,0]=4 12640 B11R0.165 CC(C)(C)OC(=O)COCCN 34a_100000210304_100000183872 [0,2,0,0,0,0|2,0,0]=4 12641 B11R0.165 CC(C)(C)OC(=O)COCCO 34a_100000752683_100000211926 [0,2,0,0,0,0|2,0,0]=4 12642 B11R0.165 CC(C)(C)OC(=O)CSCCF 62a_100000183872_100011217306 [0,2,0,0,0,0|2,0,0]=4 12643 B11R0.165 CC(C)(C)OC(=O)CSCCF 62a_100011217306_100000183872 [0,2,0,0,0,0|2,0,0]=4 12644 B11R0.165 CC(C)(C)OC(=O)CSCCO 62a_100000183872_100000211926 [0,2,0,0,0,0|2,0,0]=4 12645 B11R0.165 CC(C)(C)OC(=O)CSCCO 62a_100000211926_100000183872 [0,2,0,0,0,0|2,0,0]=4 12646 B11R0.165 CC(C)(C)OC(=O)NCCO[13CH3] 34a_100000743822_200025704644 [0,2,0,0,0,0|2,0,0]=4 12647 B11R0.165 CC(C)(C)OC(=O)NCCO[13CH3] 7a_100000743822_200025704644 [0,2,0,0,0,0|2,0,0]=4 12648 B11R0.165 CC(C)(C)OC(=O)NCCS[13CH3] 62a_100000691259_200025704644 [0,2,0,0,0,0|2,0,0]=4 12649 B11R0.165 CC(C)(C)OC(=O)NCCS[13CH3] 62a_200025704644_100000691259 [0,2,0,0,0,0|2,0,0]=4 12650 B11R0.165 CC(C)(O)CC(=O)CCCCF 1458a_100000693243_100000729493 [0,2,0,0,0,0|2,0,0]=4 12651 B11R0.165 CC(C)(O)CC(=O)CCCCO 1458a_100000693243_100000210776 [0,2,0,0,0,0|2,0,0]=4 12652 B11R0.165 CCCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210326 [0,2,0,0,0,0|1,0,0]=3 12653 B11R0.165 CCCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210326 [0,2,0,0,0,0|1,0,0]=3 12654 B11R0.165 CCCCCC(=O)CC(F)(F)F 1458a_100000245130_100000210326 [0,2,0,0,0,0|2,0,0]=4 12655 B11R0.165 CCCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210326 [0,2,0,0,0,0|2,0,0]=4 12656 B11R0.165 CCCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210326 [0,2,0,0,0,0|2,0,0]=4 12657 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100000212188_100000233785 [0,2,0,0,0,0|1,1,0]=4 12658 B11R0.165 CCCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210326 [0,2,0,0,0,0|1,1,0]=4 12659 B11R0.165 CCCCCC(=O)NC(C)(C)C 11a_100000715429_100000212188 [0,2,0,0,0,0|1,0,0]=3 12660 B11R0.165 CCCCCC(=O)NC(C)(C)C 1626a_100000715429_100000212188 [0,2,0,0,0,0|1,0,0]=3 12661 B11R0.165 CCCCCC(=O)NC(C)(C)C 240690a_100000715429_100000212188 [0,2,0,0,0,0|1,0,0]=3 12662 B11R0.165 CCCCCC(=O)NC(C)(C)C 527a_100000715429_100000212188 [0,2,0,0,0,0|1,0,0]=3 12663 B11R0.165 CCCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000212188 [0,2,0,0,0,0|2,0,0]=4 12664 B11R0.165 CCCCCC(C)OC(C)(C)C 34a_100011215632_100000210625 [0,2,0,0,0,0|1,0,1]=4 12665 B11R0.165 CCCCCC(C)OC(C)(C)C 34a_100015890283_200011218191 [0,2,0,0,0,0|1,0,1]=4 12666 B11R0.165 CCCCCC(C)OC(C)(C)C 7a_100015890283_200011218191 [0,2,0,0,0,0|1,0,1]=4 12667 B11R0.165 CCCCNC(=O)CC(C)(C)C 11a_100000102301_100000211214 [0,2,0,0,0,0|2,0,0]=4 12668 B11R0.165 CCCCNC(=O)CC(C)(C)C 1626a_100000102301_100000211214 [0,2,0,0,0,0|2,0,0]=4 12669 B11R0.165 CCCCNC(=O)CC(C)(C)C 240690a_100000102301_100000211214 [0,2,0,0,0,0|2,0,0]=4 12670 B11R0.165 CCCCNC(=O)CC(C)(C)C 527a_100000102301_100000211214 [0,2,0,0,0,0|2,0,0]=4 12671 B11R0.165 CCCCNC(=O)CC(C)(C)O 527a_100000102301_100000693243 [0,2,0,0,0,0|2,0,0]=4 12672 B11R0.165 CCCCNC(=O)NC(C)(C)C 2708a_100000102301_100000715429 [0,2,0,0,0,0|2,0,0]=4 12673 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000102301_100000715429 [0,2,0,0,0,0|2,0,0]=4 12674 B11R0.165 CCCCNC(=O)NC(C)(C)C 273464a_100000715429_100000102301 [0,2,0,0,0,0|2,0,0]=4 12675 B11R0.165 CCCCNC(=O)NC(C)(C)C 512a_100000715429_100000102301 [0,2,0,0,0,0|2,0,0]=4 12676 B11R0.165 CCCNCC(=O)NC(C)(C)C 2230a_100000174917_100000210303 [0,2,0,0,0,0|2,0,0]=4 12677 B11R0.165 CCCNCC(=O)NC(C)(C)C 34a_100000174917_100000210303 [0,2,0,0,0,0|2,0,0]=4 12678 B11R0.165 CCCOCC(=O)NC(C)(C)C 11a_100000715429_100000745993 [0,2,0,0,0,0|2,0,0]=4 12679 B11R0.165 CCCOCC(=O)NC(C)(C)C 1626a_100000715429_100000745993 [0,2,0,0,0,0|2,0,0]=4 12680 B11R0.165 CCCOCC(=O)NC(C)(C)C 240690a_100000715429_100000745993 [0,2,0,0,0,0|2,0,0]=4 12681 B11R0.165 CCCOCC(=O)NC(C)(C)C 34a_100000210258_100000182746 [0,2,0,0,0,0|2,0,0]=4 12682 B11R0.165 CCCOCC(=O)NC(C)(C)C 527a_100000715429_100000745993 [0,2,0,0,0,0|2,0,0]=4 12683 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000210258_100000183872 [0,2,0,0,0,0|1,0,0]=3 12684 B11R0.165 CCCOCC(=O)OC(C)(C)C 34a_100000752683_100000210303 [0,2,0,0,0,0|1,0,0]=3 12685 B11R0.165 CCCOCC(=O)O[Si](C)(C)C 34a_100000210258_200009813336 [0,2,0,0,0,0|1,1,0]=4 12686 B11R0.165 CCCSCC(=O)NC(C)(C)C 11a_100000715429_100000217233 [0,2,0,0,0,0|2,0,0]=4 12687 B11R0.165 CCCSCC(=O)NC(C)(C)C 1626a_100000715429_100000217233 [0,2,0,0,0,0|2,0,0]=4 12688 B11R0.165 CCCSCC(=O)NC(C)(C)C 240690a_100000715429_100000217233 [0,2,0,0,0,0|2,0,0]=4 12689 B11R0.165 CCCSCC(=O)NC(C)(C)C 527a_100000715429_100000217233 [0,2,0,0,0,0|2,0,0]=4 12690 B11R0.165 CCCSCC(=O)NC(C)(C)C 62a_100000182746_100000210303 [0,2,0,0,0,0|2,0,0]=4 12691 B11R0.165 CCCSCC(=O)NC(C)(C)C 62a_100000210303_100000182746 [0,2,0,0,0,0|2,0,0]=4 12692 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000183872_100000210303 [0,2,0,0,0,0|1,0,0]=3 12693 B11R0.165 CCCSCC(=O)OC(C)(C)C 62a_100000210303_100000183872 [0,2,0,0,0,0|1,0,0]=3 12694 B11R0.165 CCCSCC(=O)O[Si](C)(C)C 62a_100000210303_200009813336 [0,2,0,0,0,0|1,1,0]=4 12695 B11R0.165 CCCSCC(=O)O[Si](C)(C)C 62a_200009813336_100000210303 [0,2,0,0,0,0|1,1,0]=4 12696 B11R0.165 CCNCCC(=O)NC(C)(C)C 2230a_100015525214_100011194433 [0,2,0,0,0,0|2,0,0]=4 12697 B11R0.165 CCNCCC(=O)OC(C)(C)C 2230a_100015525214_100009816755 [0,2,0,0,0,0|1,0,0]=3 12698 B11R0.165 CCOCCC(=O)CC(C)(C)C 1458a_100000211214_100011215890 [0,2,0,0,0,0|2,0,0]=4 12699 B11R0.165 CCOCCC(=O)CC(C)(C)O 1458a_100000693243_100011215890 [0,2,0,0,0,0|2,0,0]=4 12700 B11R0.165 CCOCCC(=O)NC(C)(C)C 11a_100000715429_100000749530 [0,2,0,0,0,0|2,0,0]=4 12701 B11R0.165 CCOCCC(=O)NC(C)(C)C 1626a_100000715429_100000749530 [0,2,0,0,0,0|2,0,0]=4 12702 B11R0.165 CCOCCC(=O)NC(C)(C)C 240690a_100000715429_100000749530 [0,2,0,0,0,0|2,0,0]=4 12703 B11R0.165 CCOCCC(=O)NC(C)(C)C 527a_100000715429_100000749530 [0,2,0,0,0,0|2,0,0]=4 12704 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100011934494_100000210202 [0,2,0,0,0,0|1,0,0]=3 12705 B11R0.165 CCOCCC(=O)OC(C)(C)C 34a_100121572206_100009816755 [0,2,0,0,0,0|1,0,0]=3 12706 B11R0.165 CCOCCC(=O)OC(C)(C)C 7a_100011934494_100000210202 [0,2,0,0,0,0|1,0,0]=3 12707 B11R0.165 CCSCCC(=O)CC(C)(C)C 1458a_100000211214_100000757381 [0,2,0,0,0,0|2,0,0]=4 12708 B11R0.165 CCSCCC(=O)CC(C)(C)O 1458a_100000693243_100000757381 [0,2,0,0,0,0|2,0,0]=4 12709 B11R0.165 CCSCCC(=O)NC(C)(C)C 11a_100000715429_100000230768 [0,2,0,0,0,0|2,0,0]=4 12710 B11R0.165 CCSCCC(=O)NC(C)(C)C 1626a_100000715429_100000230768 [0,2,0,0,0,0|2,0,0]=4 12711 B11R0.165 CCSCCC(=O)NC(C)(C)C 240690a_100000715429_100000230768 [0,2,0,0,0,0|2,0,0]=4 12712 B11R0.165 CCSCCC(=O)NC(C)(C)C 527a_100000715429_100000230768 [0,2,0,0,0,0|2,0,0]=4 12713 B11R0.165 CCSCCC(=O)NC(C)(C)C 62a_100000210202_100011194433 [0,2,0,0,0,0|2,0,0]=4 12714 B11R0.165 CCSCCC(=O)NC(C)(C)C 62a_100011194433_100000210202 [0,2,0,0,0,0|2,0,0]=4 12715 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100000210202_100009816755 [0,2,0,0,0,0|1,0,0]=3 12716 B11R0.165 CCSCCC(=O)OC(C)(C)C 62a_100009816755_100000210202 [0,2,0,0,0,0|1,0,0]=3 12717 B11R0.165 CNCCCC(=O)NC(C)(C)C 2230a_106832991635_100011194434 [0,2,0,0,0,0|2,0,0]=4 12718 B11R0.165 CNCCCC(=O)NC(C)(C)C 7a_106832991635_100011194434 [0,2,0,0,0,0|2,0,0]=4 12719 B11R0.165 CNCCCC(=O)OC(C)(C)C 2230a_106832991635_100000708543 [0,2,0,0,0,0|1,0,0]=3 12720 B11R0.165 CNCCCC(=O)OC(C)(C)C 34a_100102657272_100000708543 [0,2,0,0,0,0|1,0,0]=3 12721 B11R0.165 CNCCCC(=O)OC(C)(C)C 7a_106832991635_100000708543 [0,2,0,0,0,0|1,0,0]=3 12722 B11R0.165 CNCCNC(=O)OC(C)(C)C 2230a_106832991635_100000691259 [0,2,0,0,0,0|2,0,0]=4 12723 B11R0.165 CNCCNC(=O)OC(C)(C)C 7a_106832991635_100000691259 [0,2,0,0,0,0|2,0,0]=4 12724 B11R0.165 COCCCC(=O)CC(C)(C)C 1458a_100000211214_100000740836 [0,2,0,0,0,0|2,0,0]=4 12725 B11R0.165 COCCCC(=O)CC(C)(C)O 1458a_100000693243_100000740836 [0,2,0,0,0,0|2,0,0]=4 12726 B11R0.165 COCCCC(=O)NC(C)(C)C 11a_100000715429_100000741012 [0,2,0,0,0,0|2,0,0]=4 12727 B11R0.165 COCCCC(=O)NC(C)(C)C 1626a_100000715429_100000741012 [0,2,0,0,0,0|2,0,0]=4 12728 B11R0.165 COCCCC(=O)NC(C)(C)C 240690a_100000715429_100000741012 [0,2,0,0,0,0|2,0,0]=4 12729 B11R0.165 COCCCC(=O)NC(C)(C)C 527a_100000715429_100000741012 [0,2,0,0,0,0|2,0,0]=4 12730 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100000067108_200000210301 [0,2,0,0,0,0|1,0,0]=3 12731 B11R0.165 COCCCC(=O)OC(C)(C)C 34a_100138415774_100000708543 [0,2,0,0,0,0|1,0,0]=3 12732 B11R0.165 COCCCC(=O)OC(C)(C)C 7a_100000067108_200000210301 [0,2,0,0,0,0|1,0,0]=3 12733 B11R0.165 COCCNC(=O)OC(C)(C)C 34a_100000743822_200000210301 [0,2,0,0,0,0|2,0,0]=4 12734 B11R0.165 COCCNC(=O)OC(C)(C)C 7a_100000743822_200000210301 [0,2,0,0,0,0|2,0,0]=4 12735 B11R0.165 COCSCC(=O)OC(C)(C)C 62a_100000183872_100000766300 [0,2,0,0,0,0|2,0,0]=4 12736 B11R0.165 COCSCC(=O)OC(C)(C)C 62a_100000766300_100000183872 [0,2,0,0,0,0|2,0,0]=4 12737 B11R0.165 CSCCCC(=O)NC(C)(C)C 11a_100000715429_100000173376 [0,2,0,0,0,0|2,0,0]=4 12738 B11R0.165 CSCCCC(=O)NC(C)(C)C 1626a_100000715429_100000173376 [0,2,0,0,0,0|2,0,0]=4 12739 B11R0.165 CSCCCC(=O)NC(C)(C)C 240690a_100000715429_100000173376 [0,2,0,0,0,0|2,0,0]=4 12740 B11R0.165 CSCCCC(=O)NC(C)(C)C 527a_100000715429_100000173376 [0,2,0,0,0,0|2,0,0]=4 12741 B11R0.165 CSCCCC(=O)NC(C)(C)C 62a_100011194434_200000210301 [0,2,0,0,0,0|2,0,0]=4 12742 B11R0.165 CSCCCC(=O)NC(C)(C)C 62a_200000210301_100011194434 [0,2,0,0,0,0|2,0,0]=4 12743 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_100000708543_200000210301 [0,2,0,0,0,0|1,0,0]=3 12744 B11R0.165 CSCCCC(=O)OC(C)(C)C 62a_200000210301_100000708543 [0,2,0,0,0,0|1,0,0]=3 12745 B11R0.165 CSCCNC(=O)OC(C)(C)C 62a_100000691259_200000210301 [0,2,0,0,0,0|2,0,0]=4 12746 B11R0.165 CSCCNC(=O)OC(C)(C)C 62a_200000210301_100000691259 [0,2,0,0,0,0|2,0,0]=4 12747 B11R0.165 CSCOCC(=O)OC(C)(C)C 34a_100000752683_100011218213 [0,2,0,0,0,0|2,0,0]=4 12748 B11R0.165 CSCSCC(=O)OC(C)(C)C 62a_100000183872_100011218213 [0,2,0,0,0,0|2,0,0]=4 12749 B11R0.165 CSCSCC(=O)OC(C)(C)C 62a_100011218213_100000183872 [0,2,0,0,0,0|2,0,0]=4 12750 B11R0.324 CCCCCS(=O)(=O)NC(C)C 270084a_100138425928_100000753860 [0,2,0,0,0,0|2,0,0]=4 12751 B11R0.324 CCCCCS(=O)(=O)NC(C)C 274078a_100138425928_100000753860 [0,2,0,0,0,0|2,0,0]=4 12752 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000692101_200011215066 [0,2,0,0,0,0|1,0,1]=4 12753 B11R0.11 C#CCCC(=O)C(C)CCCC 1458a_100000725509_100000753159 [0,2,0,0,0,0|1,0,1]=4 12754 B11R0.11 C#CCCC(=O)C(O)CCCC 1458a_100000720857_100000753159 [0,2,0,0,0,0|1,0,1]=4 12755 B11R0.11 C#CCNC(=O)C(C)CCCC 11a_100000212058_100000725509 [0,2,0,0,0,0|1,0,1]=4 12756 B11R0.11 C#CCNC(=O)C(C)CCCC 1626a_100000212058_100000725509 [0,2,0,0,0,0|1,0,1]=4 12757 B11R0.11 C#CCNC(=O)C(C)CCCC 240690a_100000212058_100000725509 [0,2,0,0,0,0|1,0,1]=4 12758 B11R0.11 C#CCNC(=O)C(C)CCCC 527a_100000212058_100000725509 [0,2,0,0,0,0|1,0,1]=4 12759 B11R0.11 C#CCNC(=O)C(O)CCCC 240690a_100000212058_100000720857 [0,2,0,0,0,0|1,0,1]=4 12760 B11R0.11 C#CCNC(=O)C(O)CCCC 527a_100000212058_100000720857 [0,2,0,0,0,0|1,0,1]=4 12761 B11R0.11 C/C=C/CC(=O)C(C)CCCC 1458a_100000725509_100102629194 [0,2,0,0,0,0|1,0,1]=4 12762 B11R0.11 C/C=C/CC(=O)C(O)CCCC 1458a_100000720857_100102629194 [0,2,0,0,0,0|1,0,1]=4 12763 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000725509_100000754431 [0,2,0,0,0,0|1,0,1]=4 12764 B11R0.11 C=CCCC(=O)C(C)CCCC 1458a_100000749702_200011215066 [0,2,0,0,0,0|1,0,1]=4 12765 B11R0.11 C=CCCC(=O)C(O)CCCC 1458a_100000720857_100000754431 [0,2,0,0,0,0|1,0,1]=4 12766 B11R0.11 C=CCNC(=O)C(C)CCCC 1626a_100020586998_100000725509 [0,2,0,0,0,0|1,0,1]=4 12767 B11R0.11 C=CCNC(=O)C(C)CCCC 240690a_100020586998_100000725509 [0,2,0,0,0,0|1,0,1]=4 12768 B11R0.11 C=CCNC(=O)C(C)CCCC 527a_100020586998_100000725509 [0,2,0,0,0,0|1,0,1]=4 12769 B11R0.11 C=CCNC(=O)C(O)CCCC 240690a_100020586998_100000720857 [0,2,0,0,0,0|1,0,1]=4 12770 B11R0.11 C=CCNC(=O)C(O)CCCC 527a_100020586998_100000720857 [0,2,0,0,0,0|1,0,1]=4 12771 B11R0.11 CC#CCC(=O)C(C)CCCC 1458a_100000725509_100000748600 [0,2,0,0,0,0|1,0,1]=4 12772 B11R0.11 CC#CCC(=O)C(O)CCCC 1458a_100000720857_100000748600 [0,2,0,0,0,0|1,0,1]=4 12773 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100000725509_100000070051 [0,2,0,0,0,0|1,0,1]=4 12774 B11R0.11 CC=CCC(=O)C(C)CCCC 1458a_100121576822_200011215066 [0,2,0,0,0,0|1,0,1]=4 12775 B11R0.11 CC=CCC(=O)C(O)CCCC 1458a_100000720857_100000070051 [0,2,0,0,0,0|1,0,1]=4 12776 B11R0.11 CCC#CC(=O)C(C)CCCC 1458a_100011827653_200011215066 [0,2,0,0,0,0|1,0,0]=3 12777 B11R0.11 CCC=CC(=O)C(C)CCCC 1458a_100000212282_200011215066 [0,2,0,0,0,0|1,0,0]=3 12778 B11R0.11 CCC=CC(=O)N(C)CCCC 11a_100000207549_100000212282 [0,2,0,0,0,0|2,0,0]=4 12779 B11R0.11 CCC=CC(=O)N(C)CCCC 1626a_100000207549_100000212282 [0,2,0,0,0,0|2,0,0]=4 12780 B11R0.11 CCC=CC(=O)N(C)CCCC 240690a_100000207549_100000212282 [0,2,0,0,0,0|2,0,0]=4 12781 B11R0.11 CCCCC(=O)C(=O)NCCC 1458a_200011297150_100000210211 [0,2,0,0,0,0|1,0,1]=4 12782 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000210183_200011215066 [0,2,0,0,0,0|1,0,0]=3 12783 B11R0.11 CCCCC(=O)C(C)CCCC 1458a_100000725509_100000210211 [0,2,0,0,0,0|1,0,0]=3 12784 B11R0.11 CCCCC(=O)C(O)CCCC 1458a_100000720857_100000210211 [0,2,0,0,0,0|1,0,0]=3 12785 B11R0.11 CCCCC(=O)C(O)CCSC 1458a_100000685904_100000210211 [0,2,0,0,0,0|2,0,0]=4 12786 B11R0.11 CCCCC(=O)N(C)CCCC 11a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 12787 B11R0.11 CCCCC(=O)N(C)CCCC 1626a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 12788 B11R0.11 CCCCC(=O)N(C)CCCC 240690a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 12789 B11R0.11 CCCCC(=O)N(C)CCCC 527a_100000207549_100000210183 [0,2,0,0,0,0|2,0,0]=4 12790 B11R0.11 CCCCC(C)C(=O)C#CCO 1458a_100000049017_200011215066 [0,2,0,0,0,0|1,0,1]=4 12791 B11R0.11 CCCCC(C)C(=O)C=COC 1458a_100016268678_200011215066 [0,2,0,0,0,0|1,0,1]=4 12792 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100000725509_100011215226 [0,2,0,0,0,0|1,0,1]=4 12793 B11R0.11 CCCCC(C)C(=O)CCC#N 1458a_100011934036_200011215066 [0,2,0,0,0,0|1,0,1]=4 12794 B11R0.11 CCCCC(C)C(=O)CCCF 1458a_100000725509_100011934791 [0,2,0,0,0,0|1,0,0]=3 12795 B11R0.11 CCCCC(C)C(=O)CCCO 1458a_100000725509_100011215043 [0,2,0,0,0,0|1,0,0]=3 12796 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000725509_100000233755 [0,2,0,0,0,0|1,0,0]=3 12797 B11R0.11 CCCCC(C)C(=O)CCOC 1458a_100000749529_200011215066 [0,2,0,0,0,0|1,0,0]=3 12798 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000174002_200011215066 [0,2,0,0,0,0|1,0,0]=3 12799 B11R0.11 CCCCC(C)C(=O)CCSC 1458a_100000725509_100000751147 [0,2,0,0,0,0|1,0,0]=3 12800 B11R0.11 CCCCC(C)C(=O)COCC 1458a_100000211967_200011215066 [0,2,0,0,0,0|0,0,0]=2 12801 B11R0.11 CCCCC(C)C(=O)CSCC 1458a_100000230394_200011215066 [0,2,0,0,0,0|0,1,0]=3 12802 B11R0.11 CCCCC(C)C(=O)NCC#N 1626a_100000734998_100000725509 [0,2,0,0,0,0|1,0,1]=4 12803 B11R0.11 CCCCC(C)C(=O)NCC#N 527a_100000734998_100000725509 [0,2,0,0,0,0|1,0,1]=4 12804 B11R0.11 CCCCC(C)C(=O)NCCC 11a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 12805 B11R0.11 CCCCC(C)C(=O)NCCC 1626a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 12806 B11R0.11 CCCCC(C)C(=O)NCCC 240690a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 12807 B11R0.11 CCCCC(C)C(=O)NCCC 527a_100020643023_100000725509 [0,2,0,0,0,0|1,0,0]=3 12808 B11R0.11 CCCCC(C)C(=O)NCCF 11a_100000724931_100000725509 [0,2,0,0,0,0|1,0,0]=3 12809 B11R0.11 CCCCC(C)C(=O)NCCF 1626a_100000724931_100000725509 [0,2,0,0,0,0|1,0,0]=3 12810 B11R0.11 CCCCC(C)C(=O)NCCF 240690a_100000724931_100000725509 [0,2,0,0,0,0|1,0,0]=3 12811 B11R0.11 CCCCC(C)C(=O)NCCF 527a_100000724931_100000725509 [0,2,0,0,0,0|1,0,0]=3 12812 B11R0.11 CCCCC(C)C(=O)NCCO 240690a_100000210304_100000725509 [0,2,0,0,0,0|1,0,0]=3 12813 B11R0.11 CCCCC(C)C(=O)NCCO 527a_100000210304_100000725509 [0,2,0,0,0,0|1,0,0]=3 12814 B11R0.11 CCCCC(C)C(=O)NNCC 22a_100000756455_100000725509 [0,2,0,0,0,0|1,0,0]=3 12815 B11R0.11 CCCCC(O)C(=O)CCC#N 1458a_100000720857_100011215226 [0,2,0,0,0,0|1,0,1]=4 12816 B11R0.11 CCCCC(O)C(=O)CCCF 1458a_100000720857_100011934791 [0,2,0,0,0,0|1,0,0]=3 12817 B11R0.11 CCCCC(O)C(=O)CCCO 1458a_100000720857_100011215043 [0,2,0,0,0,0|1,0,0]=3 12818 B11R0.11 CCCCC(O)C(=O)CCOC 1458a_100000720857_100000233755 [0,2,0,0,0,0|1,0,0]=3 12819 B11R0.11 CCCCC(O)C(=O)CCSC 1458a_100000720857_100000751147 [0,2,0,0,0,0|1,0,0]=3 12820 B11R0.11 CCCCC(O)C(=O)NCC#N 527a_100000734998_100000720857 [0,2,0,0,0,0|1,0,1]=4 12821 B11R0.11 CCCCC(O)C(=O)NCCC 240690a_100020643023_100000720857 [0,2,0,0,0,0|1,0,0]=3 12822 B11R0.11 CCCCC(O)C(=O)NCCC 527a_100020643023_100000720857 [0,2,0,0,0,0|1,0,0]=3 12823 B11R0.11 CCCCC(O)C(=O)NCCF 240690a_100000724931_100000720857 [0,2,0,0,0,0|1,0,0]=3 12824 B11R0.11 CCCCC(O)C(=O)NCCF 527a_100000724931_100000720857 [0,2,0,0,0,0|1,0,0]=3 12825 B11R0.11 CCCCC(O)C(=O)NCCO 240690a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 12826 B11R0.11 CCCCC(O)C(=O)NCCO 527a_100000210304_100000720857 [0,2,0,0,0,0|1,0,0]=3 12827 B11R0.11 CCCCC(O)C(=O)NNCC 22a_100000756455_100000720857 [0,2,0,0,0,0|1,0,0]=3 12828 B11R0.11 CCCCN(C)C(=O)CCOC 11a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 12829 B11R0.11 CCCCN(C)C(=O)CCOC 1626a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 12830 B11R0.11 CCCCN(C)C(=O)CCOC 240690a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 12831 B11R0.11 CCCCN(C)C(=O)CCOC 527a_100000207549_100000749529 [0,2,0,0,0,0|2,0,0]=4 12832 B11R0.11 CCCCN(C)C(=O)CCSC 11a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 12833 B11R0.11 CCCCN(C)C(=O)CCSC 1626a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 12834 B11R0.11 CCCCN(C)C(=O)CCSC 240690a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 12835 B11R0.11 CCCCN(C)C(=O)CCSC 527a_100000207549_100000174002 [0,2,0,0,0,0|2,0,0]=4 12836 B11R0.11 CCCCN(C)C(=O)CNCC 2230a_100015525214_100000230175 [0,2,0,0,0,0|2,0,0]=4 12837 B11R0.11 CCCCN(C)C(=O)COCC 11a_100000207549_100000211967 [0,2,0,0,0,0|1,0,0]=3 12838 B11R0.11 CCCCN(C)C(=O)COCC 1626a_100000207549_100000211967 [0,2,0,0,0,0|1,0,0]=3 12839 B11R0.11 CCCCN(C)C(=O)COCC 240690a_100000207549_100000211967 [0,2,0,0,0,0|1,0,0]=3 12840 B11R0.11 CCCCN(C)C(=O)COCC 34a_100121572206_100000230175 [0,2,0,0,0,0|1,0,0]=3 12841 B11R0.11 CCCCN(C)C(=O)COCC 527a_100000207549_100000211967 [0,2,0,0,0,0|1,0,0]=3 12842 B11R0.11 CCCCN(C)C(=O)CSCC 11a_100000207549_100000230394 [0,2,0,0,0,0|1,1,0]=4 12843 B11R0.11 CCCCN(C)C(=O)CSCC 1626a_100000207549_100000230394 [0,2,0,0,0,0|1,1,0]=4 12844 B11R0.11 CCCCN(C)C(=O)CSCC 240690a_100000207549_100000230394 [0,2,0,0,0,0|1,1,0]=4 12845 B11R0.11 CCCCN(C)C(=O)CSCC 527a_100000207549_100000230394 [0,2,0,0,0,0|1,1,0]=4 12846 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000210202_100000230175 [0,2,0,0,0,0|1,1,0]=4 12847 B11R0.11 CCCCN(C)C(=O)CSCC 62a_100000230175_100000210202 [0,2,0,0,0,0|1,1,0]=4 12848 B11R0.11 CCCCN(C)C(=O)NCCC 2708a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 12849 B11R0.11 CCCCN(C)C(=O)NCCC 273464a_100020643023_100000207549 [0,2,0,0,0,0|2,0,0]=4 12850 B11R0.11 CCCCN(C)C(=O)NCCF 273464a_100000724931_100000207549 [0,2,0,0,0,0|2,0,0]=4 12851 B11R0.11 CCCCN(C)C(=O)NCCO 273464a_100000210304_100000207549 [0,2,0,0,0,0|2,0,0]=4 12852 B11R0.11 CCCNC(=O)C(C)NCCC 2230a_100025744714_100000210303 [0,2,0,0,0,0|2,0,0]=4 12853 B11R0.11 CCCNC(=O)C(C)NCCC 34a_100025744714_100000210303 [0,2,0,0,0,0|2,0,0]=4 12854 B11R0.11 CCCNC(=O)C(C)OCCC 34a_100000210258_100000230305 [0,2,0,0,0,0|2,0,0]=4 12855 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000210303_100000230305 [0,2,0,0,0,0|2,0,0]=4 12856 B11R0.11 CCCNC(=O)C(C)SCCC 62a_100000230305_100000210303 [0,2,0,0,0,0|2,0,0]=4 12857 B11R0.11 CCCNC(=O)C(O)CCSC 240690a_100020643023_100000685904 [0,2,0,0,0,0|2,0,0]=4 12858 B11R0.11 CCCOC(=O)C(C)NCCF 34a_100000724931_100000760410 [0,2,0,0,0,0|2,0,0]=4 12859 B11R0.11 CCCOC(=O)C(C)NCCO 2230a_100016997473_100000760410 [0,2,0,0,0,0|2,0,0]=4 12860 B11R0.11 CCCOC(=O)C(C)NCCO 34a_100016990907_100000760410 [0,2,0,0,0,0|2,0,0]=4 12861 B11R0.11 CCCOC(=O)C(C)OCCBr 34a_100000211926_100000760410 [0,2,0,0,0,0|2,0,0]=4 12862 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000037348_100000210303 [0,2,0,0,0,0|1,0,0]=3 12863 B11R0.11 CCCOC(=O)C(C)OCCC 34a_100000210258_100000760410 [0,2,0,0,0,0|1,0,0]=3 12864 B11R0.11 CCCOC(=O)C(C)OCCC 7a_100000037348_100000210303 [0,2,0,0,0,0|1,0,0]=3 12865 B11R0.11 CCCOC(=O)C(C)OCCF 34a_100000037348_100011217306 [0,2,0,0,0,0|2,0,0]=4 12866 B11R0.11 CCCOC(=O)C(C)OCCF 7a_100000037348_100011217306 [0,2,0,0,0,0|2,0,0]=4 12867 B11R0.11 CCCOC(=O)C(C)OCCN 34a_100000210304_100000760410 [0,2,0,0,0,0|2,0,0]=4 12868 B11R0.11 CCCOC(=O)C(C)OCCO 34a_100000037348_100000211926 [0,2,0,0,0,0|2,0,0]=4 12869 B11R0.11 CCCOC(=O)C(C)OCCO 7a_100000037348_100000211926 [0,2,0,0,0,0|2,0,0]=4 12870 B11R0.11 CCCOC(=O)C(C)OCSC 34a_100000037348_100011218213 [0,2,0,0,0,0|2,0,0]=4 12871 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000210303_100000760410 [0,2,0,0,0,0|1,0,0]=3 12872 B11R0.11 CCCOC(=O)C(C)SCCC 62a_100000760410_100000210303 [0,2,0,0,0,0|1,0,0]=3 12873 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100000760410_100011217306 [0,2,0,0,0,0|2,0,0]=4 12874 B11R0.11 CCCOC(=O)C(C)SCCF 62a_100011217306_100000760410 [0,2,0,0,0,0|2,0,0]=4 12875 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000211926_100000760410 [0,2,0,0,0,0|2,0,0]=4 12876 B11R0.11 CCCOC(=O)C(C)SCCO 62a_100000760410_100000211926 [0,2,0,0,0,0|2,0,0]=4 12877 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000760410_100000766300 [0,2,0,0,0,0|2,0,0]=4 12878 B11R0.11 CCCOC(=O)C(C)SCOC 62a_100000766300_100000760410 [0,2,0,0,0,0|2,0,0]=4 12879 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100000760410_100011218213 [0,2,0,0,0,0|2,0,0]=4 12880 B11R0.11 CCCOC(=O)C(C)SCSC 62a_100011218213_100000760410 [0,2,0,0,0,0|2,0,0]=4 12881 B11R0.11 CCNNC(=O)C(O)CCSC 22a_100000756455_100000685904 [0,2,0,0,0,0|2,0,0]=4 12882 B11R0.11 CCOCC(=O)N(C)CCCO 240690a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 12883 B11R0.11 CCOCC(=O)N(C)CCCO 527a_100000213112_100000211967 [0,2,0,0,0,0|2,0,0]=4 12884 B11R0.11 CCOCC(=O)N(C)CCOC 11a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 12885 B11R0.11 CCOCC(=O)N(C)CCOC 1626a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 12886 B11R0.11 CCOCC(=O)N(C)CCOC 240690a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 12887 B11R0.11 CCOCC(=O)N(C)CCOC 527a_100000743101_100000211967 [0,2,0,0,0,0|2,0,0]=4 12888 B11R0.11 CCOCC(=O)N(C)CCSC 11a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 12889 B11R0.11 CCOCC(=O)N(C)CCSC 1626a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 12890 B11R0.11 CCOCC(=O)N(C)CCSC 240690a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 12891 B11R0.11 CCOCC(=O)N(C)CCSC 527a_100000686725_100000211967 [0,2,0,0,0,0|2,0,0]=4 12892 B11R0.11 COCCC(=O)C(O)CCSC 1458a_100000685904_100000233755 [0,2,0,0,0,0|2,0,0]=4 12893 B11R0.11 CSCCC(=O)C(O)CCSC 1458a_100000685904_100000751147 [0,2,0,0,0,0|2,0,0]=4 12894 B11R0.11 CSCCC(O)C(=O)CCCF 1458a_100000685904_100011934791 [0,2,0,0,0,0|2,0,0]=4 12895 B11R0.11 CSCCC(O)C(=O)CCCO 1458a_100000685904_100011215043 [0,2,0,0,0,0|2,0,0]=4 12896 B11R0.11 CSCCC(O)C(=O)NCCF 240690a_100000724931_100000685904 [0,2,0,0,0,0|2,0,0]=4 12897 B11R0.11 CSCCC(O)C(=O)NCCO 240690a_100000210304_100000685904 [0,2,0,0,0,0|2,0,0]=4 12898 B11R0.43 C=C(CN(C)CC)C(=O)OCC 269982a_100000225621_100000755967 [0,2,0,0,0,0|1,0,1]=4 12899 B11R0.43 CCCC(=O)C(C)CN(C)CC 1458a_200015185930_100000210303 [0,2,0,0,0,0|2,0,0]=4 12900 B11R0.43 CCCC(=O)N(C)CC(C)CC 11a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 12901 B11R0.43 CCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 12902 B11R0.43 CCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 12903 B11R0.43 CCCC(=O)N(C)CC(C)CC 527a_100000753921_100000211992 [0,2,0,0,0,0|2,0,0]=4 12904 B11R0.43 CCNC(=O)C(=O)CC(C)CC 1458a_200011297158_100000748023 [0,2,0,0,0,0|1,0,1]=4 12905 B11R0.43 CCNC(=O)C(=O)CC(O)CC 1458a_200011297158_100011218378 [0,2,0,0,0,0|1,0,1]=4 12906 B11R0.43 CCNC(=O)C(=O)C[C@@H](C)CC 1458a_200011297158_100009816398 [0,2,0,0,0,0|1,0,1]=4 12907 B11R0.43 CCNC(=O)C(C)CN(C)CC 11a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 12908 B11R0.43 CCNC(=O)C(C)CN(C)CC 240690a_100015525214_200015185930 [0,2,0,0,0,0|2,0,0]=4 12909 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000209981_100000230173 [0,2,0,0,0,0|2,0,0]=4 12910 B11R0.43 CCNC(=O)C(C)NC(C)CC 2230a_100000736553_100000758301 [0,2,0,0,0,0|2,0,0]=4 12911 B11R0.43 CCNC(=O)C(C)NC(C)CC 34a_100000736553_100011215416 [0,2,0,0,0,0|2,0,0]=4 12912 B11R0.43 CCNC(=O)C(C)OC(C)CC 7a_100000210228_100000230173 [0,2,0,0,0,0|2,0,0]=4 12913 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000230173_100000758301 [0,2,0,0,0,0|2,0,0]=4 12914 B11R0.43 CCNC(=O)C(C)SC(C)CC 62a_100000758301_100000230173 [0,2,0,0,0,0|2,0,0]=4 12915 B11R0.43 CCNC(=O)N(C)CC(C)CC 2708a_100015525214_100000753921 [0,2,0,0,0,0|2,0,0]=4 12916 B11R0.43 CCNC(=O)N(C)CC(C)CC 273464a_100015525214_100000753921 [0,2,0,0,0,0|2,0,0]=4 12917 B11R0.43 CCOC(=O)C(=O)CN(C)CC 269982a_100000225621_100000211299 [0,2,0,0,0,0|1,0,1]=4 12918 B11R0.43 CCOC(=O)C(=O)NC(C)CC 11a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 12919 B11R0.43 CCOC(=O)C(=O)NC(C)CC 1626a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 12920 B11R0.43 CCOC(=O)C(=O)NC(C)CC 240690a_100000209981_100014798877 [0,2,0,0,0,0|1,0,1]=4 12921 B11R0.43 CCOC(=O)C(C)NC(C)CC 2230a_100000209981_100011215307 [0,2,0,0,0,0|1,0,0]=3 12922 B11R0.43 CCOC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100011215307 [0,2,0,0,0,0|2,0,0]=4 12923 B11R0.43 CCOC(=O)C(C)OC(C)CC 7a_100000210228_100011216346 [0,2,0,0,0,0|1,0,0]=3 12924 B11R0.43 CCOC(=O)C(C)OC(C)CF 34a_100016041109_100011216346 [0,2,0,0,0,0|2,0,0]=4 12925 B11R0.43 CCOC(=O)C(C)OC(C)CF 7a_100016041109_100011216346 [0,2,0,0,0,0|2,0,0]=4 12926 B11R0.43 CCOC(=O)C(C)OC(C)CN 34a_100000210904_100011216346 [0,2,0,0,0,0|2,0,0]=4 12927 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100000758301_100011216346 [0,2,0,0,0,0|1,0,0]=3 12928 B11R0.43 CCOC(=O)C(C)SC(C)CC 62a_100011216346_100000758301 [0,2,0,0,0,0|1,0,0]=3 12929 B11R0.43 CCOC(=O)C(C)SC(C)CO 62a_100012180447_100011216346 [0,2,0,0,0,0|2,0,0]=4 12930 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100009879195_100011216346 [0,2,0,0,0,0|2,0,0]=4 12931 B11R0.43 CCOC(=O)C(C)SC(C)OC 62a_100011216346_100009879195 [0,2,0,0,0,0|2,0,0]=4 12932 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100011216346_100016084084 [0,2,0,0,0,0|2,0,0]=4 12933 B11R0.43 CCOC(=O)C(C)S[C@H](C)CO 62a_100016084084_100011216346 [0,2,0,0,0,0|2,0,0]=4 12934 B11R0.43 CCOC(=O)C(F)NC(C)CC 2230a_100000209981_100000760018 [0,2,0,0,0,0|1,0,0]=3 12935 B11R0.43 CCOC(=O)C(F)N[C@H](C)CO 2230a_100000737577_100000760018 [0,2,0,0,0,0|2,0,0]=4 12936 B11R0.43 CCOC(=O)C(F)OC(C)CC 7a_100000210228_100000040065 [0,2,0,0,0,0|1,0,0]=3 12937 B11R0.43 CCOC(=O)C(F)OC(C)CF 34a_100016041109_100000760018 [0,2,0,0,0,0|2,0,0]=4 12938 B11R0.43 CCOC(=O)C(F)OC(C)CF 7a_100016041109_100000040065 [0,2,0,0,0,0|2,0,0]=4 12939 B11R0.43 CCOC(=O)C(F)OC(C)CN 34a_100000210904_100000760018 [0,2,0,0,0,0|2,0,0]=4 12940 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000758301_100000760018 [0,2,0,0,0,0|1,0,0]=3 12941 B11R0.43 CCOC(=O)C(F)SC(C)CC 62a_100000760018_100000758301 [0,2,0,0,0,0|1,0,0]=3 12942 B11R0.43 CCOC(=O)C(F)SC(C)CO 62a_100012180447_100000760018 [0,2,0,0,0,0|2,0,0]=4 12943 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100000760018_100009879195 [0,2,0,0,0,0|2,0,0]=4 12944 B11R0.43 CCOC(=O)C(F)SC(C)OC 62a_100009879195_100000760018 [0,2,0,0,0,0|2,0,0]=4 12945 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100000760018_100016084084 [0,2,0,0,0,0|2,0,0]=4 12946 B11R0.43 CCOC(=O)C(F)S[C@H](C)CO 62a_100016084084_100000760018 [0,2,0,0,0,0|2,0,0]=4 12947 B11R0.43 CCOC(=O)[C@@H](C)NC(=O)CC 188690a_100016988386_100000210414 [0,2,0,0,0,0|1,0,1]=4 12948 B11R0.43 CCOC(=O)[C@H](C)OC(C)CC 7a_100000751109_100000758301 [0,2,0,0,0,0|1,0,0]=3 12949 B11R0.43 CCOC(=O)[C@H](C)OC(C)CO 7a_100000751109_100012180447 [0,2,0,0,0,0|2,0,0]=4 12950 B11R0.43 CCSC(=O)[C@H](C)NC(C)CC 2230a_100103168634_100000758301 [0,2,0,0,0,0|1,1,0]=4 12951 B11R0.73 C/C=C(\C)/C(=O)C(C)CCCC 1458a_100020587367_200011215066 [0,2,0,0,0,0|1,0,1]=4 12952 B11R0.73 CCC(C)C(=O)C(O)CCSC 1458a_100000685904_100000758301 [0,2,0,0,0,0|2,0,0]=4 12953 B11R0.73 CCCCC(C)C(=O)C(=O)NC 1458a_100011218921_200011215066 [0,2,0,0,0,0|2,0,0]=4 12954 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100000725509_100000758301 [0,2,0,0,0,0|1,0,0]=3 12955 B11R0.73 CCCCC(C)C(=O)C(C)CC 1458a_100011192722_200011215066 [0,2,0,0,0,0|1,0,0]=3 12956 B11R0.73 CCCCC(C)C(=O)C(C)OC 1458a_100000743197_200011215066 [0,2,0,0,0,0|2,0,0]=4 12957 B11R0.73 CCCCC(C)C(=O)C(C)SC 1458a_100000149566_200011215066 [0,2,0,0,0,0|2,0,0]=4 12958 B11R0.73 CCCCC(C)C(=O)C(O)CC 1458a_100011196387_200011215066 [0,2,0,0,0,0|1,0,0]=3 12959 B11R0.73 CCCCC(C)C(=O)C(O)CO 1458a_100011215603_200011215066 [0,2,0,0,0,0|2,0,0]=4 12960 B11R0.73 CCCCC(C)C(=O)N(C)CC 11a_100000225621_100000725509 [0,2,0,0,0,0|1,0,0]=3 12961 B11R0.73 CCCCC(C)C(=O)N(C)CC 1626a_100000225621_100000725509 [0,2,0,0,0,0|1,0,0]=3 12962 B11R0.73 CCCCC(C)C(=O)N(C)CC 240690a_100000225621_100000725509 [0,2,0,0,0,0|1,0,0]=3 12963 B11R0.73 CCCCC(C)C(=O)N(C)CC 527a_100000225621_100000725509 [0,2,0,0,0,0|1,0,0]=3 12964 B11R0.73 CCCCC(O)C(=O)C(C)CC 1458a_100000720857_100000758301 [0,2,0,0,0,0|1,0,0]=3 12965 B11R0.73 CCCCC(O)C(=O)N(C)CC 240690a_100000225621_100000720857 [0,2,0,0,0,0|1,0,0]=3 12966 B11R0.73 CCCCC(O)C(=O)N(C)CC 527a_100000225621_100000720857 [0,2,0,0,0,0|1,0,0]=3 12967 B11R0.73 CCCCN(C)C(=O)C(C)CC 11a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 12968 B11R0.73 CCCCN(C)C(=O)C(C)CC 1626a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 12969 B11R0.73 CCCCN(C)C(=O)C(C)CC 240690a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 12970 B11R0.73 CCCCN(C)C(=O)C(C)CC 527a_100000207549_100011192722 [0,2,0,0,0,0|2,0,0]=4 12971 B11R0.73 CCCCN(C)C(=O)C(O)CC 240690a_100000207549_100011196387 [0,2,0,0,0,0|2,0,0]=4 12972 B11R0.73 CCCOC(C)C(=O)N(C)CC 34a_100000210258_200012002205 [0,2,0,0,0,0|2,0,0]=4 12973 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_100000210303_200012002205 [0,2,0,0,0,0|2,0,0]=4 12974 B11R0.73 CCCSC(C)C(=O)N(C)CC 62a_200012002205_100000210303 [0,2,0,0,0,0|2,0,0]=4 12975 B11R0.73 CCN(C)C(=O)C(O)CCSC 240690a_100000225621_100000685904 [0,2,0,0,0,0|2,0,0]=4 12976 B11R0.191 CC#CC(=O)C(CC)CCCC 1458a_100000763181_200011216223 [0,2,0,0,0,0|1,0,1]=4 12977 B11R0.191 CC=CC(=O)C(CC)CCCC 1458a_100000210699_200011216223 [0,2,0,0,0,0|1,0,1]=4 12978 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211130_100000210303 [0,2,0,0,0,0|1,0,0]=3 12979 B11R0.191 CCCCC(CC)C(=O)CCC 1458a_100000211992_200011216223 [0,2,0,0,0,0|1,0,0]=3 12980 B11R0.191 CCCCC(CC)C(=O)CCF 1458a_100000211130_100011217306 [0,2,0,0,0,0|2,0,0]=4 12981 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100000211130_100000211926 [0,2,0,0,0,0|2,0,0]=4 12982 B11R0.191 CCCCC(CC)C(=O)CCO 1458a_100011216618_200011216223 [0,2,0,0,0,0|2,0,0]=4 12983 B11R0.191 CCCCC(CC)C(=O)COC 1458a_100000210968_200011216223 [0,2,0,0,0,0|2,0,0]=4 12984 B11R0.191 CCCCC(CC)C(=O)CSC 1458a_100000184570_200011216223 [0,2,0,0,0,0|2,0,0]=4 12985 B11R0.191 CCCCC(CC)C(=O)NCC 11a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 12986 B11R0.191 CCCCC(CC)C(=O)NCC 240690a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 12987 B11R0.191 CCCCC(CC)C(=O)NCC 527a_100015525214_100000211130 [0,2,0,0,0,0|1,0,0]=3 12988 B11R0.191 CCCCC(CC)C(=O)NNC 22a_100016993582_100000211130 [0,2,0,0,0,0|2,0,0]=4 12989 B11R0.191 CCCCC(CC)C(C)OCC 34a_200011290779_100000210202 [0,2,0,0,0,0|1,0,1]=4 12990 B11R0.191 CCCCC(CC)C(C)OCC 7a_200011290779_100000210202 [0,2,0,0,0,0|1,0,1]=4 12991 B11R0.191 CCCCC(NC)C(=O)OCC 2230a_106832991635_200009813700 [0,2,0,0,0,0|0,0,0]=2 12992 B11R0.191 CCCCC(NC)C(=O)OCC 34a_100102657272_200009813700 [0,2,0,0,0,0|0,0,0]=2 12993 B11R0.191 CCCCC(NC)C(=O)OCC 7a_106832991635_200009813700 [0,2,0,0,0,0|0,0,0]=2 12994 B11R0.191 CCCCC(OC)C(=O)OCC 34a_100138415774_200009813700 [0,2,0,0,0,0|0,0,0]=2 12995 B11R0.191 CCCCC(OC)C(=O)OCC 34a_200011215408_200000210301 [0,2,0,0,0,0|0,0,0]=2 12996 B11R0.191 CCCCC(OC)C(=O)OCC 7a_200011215408_200000210301 [0,2,0,0,0,0|0,0,0]=2 12997 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 34a_200011215408_200025704644 [0,2,0,0,0,0|0,0,0]=2 12998 B11R0.191 CCCCC(O[13CH3])C(=O)OCC 7a_200011215408_200025704644 [0,2,0,0,0,0|0,0,0]=2 12999 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200000210301_200009813700 [0,2,0,0,0,0|0,0,0]=2 13000 B11R0.191 CCCCC(SC)C(=O)OCC 62a_200009813700_200000210301 [0,2,0,0,0,0|0,0,0]=2 13001 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200009813700_200025704644 [0,2,0,0,0,0|0,0,0]=2 13002 B11R0.191 CCCCC(S[13CH3])C(=O)OCC 62a_200025704644_200009813700 [0,2,0,0,0,0|0,0,0]=2 13003 B11R0.191 CCCCN(CC)C(=O)CCC 11a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 13004 B11R0.191 CCCCN(CC)C(=O)CCC 1626a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 13005 B11R0.191 CCCCN(CC)C(=O)CCC 240690a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 13006 B11R0.191 CCCCN(CC)C(=O)CCC 527a_100000207695_100000211992 [0,2,0,0,0,0|2,0,0]=4 13007 B11R0.191 CCCCN(CC)C(=O)NCC 2708a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 13008 B11R0.191 CCCCN(CC)C(=O)NCC 273464a_100015525214_100000207695 [0,2,0,0,0,0|2,0,0]=4 13009 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100000210258_100000212269 [0,2,0,0,0,0|1,0,0]=3 13010 B11R0.191 CCCOC(CC)C(=O)OCC 34a_100011216719_100000210303 [0,2,0,0,0,0|1,0,0]=3 13011 B11R0.191 CCCOC(CC)C(=O)OCC 7a_100011216719_100000210303 [0,2,0,0,0,0|1,0,0]=3 13012 B11R0.191 CCCOC(SC)C(=O)OCC 34a_100000210258_100009893047 [0,2,0,0,0,0|1,0,0]=3 13013 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000053139_100000210303 [0,2,0,0,0,0|1,0,0]=3 13014 B11R0.191 CCCSC(C=O)C(=O)OCC 62a_100000210303_100000053139 [0,2,0,0,0,0|1,0,0]=3 13015 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000210303_100000212269 [0,2,0,0,0,0|1,0,0]=3 13016 B11R0.191 CCCSC(CC)C(=O)OCC 62a_100000212269_100000210303 [0,2,0,0,0,0|1,0,0]=3 13017 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100000210303_100009893047 [0,2,0,0,0,0|1,0,0]=3 13018 B11R0.191 CCCSC(SC)C(=O)OCC 62a_100009893047_100000210303 [0,2,0,0,0,0|1,0,0]=3 13019 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100000053139_100011217306 [0,2,0,0,0,0|2,0,0]=4 13020 B11R0.191 CCOC(=O)C(C=O)SCCF 62a_100011217306_100000053139 [0,2,0,0,0,0|2,0,0]=4 13021 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000053139_100000211926 [0,2,0,0,0,0|2,0,0]=4 13022 B11R0.191 CCOC(=O)C(C=O)SCCO 62a_100000211926_100000053139 [0,2,0,0,0,0|2,0,0]=4 13023 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000053139_100000766300 [0,2,0,0,0,0|2,0,0]=4 13024 B11R0.191 CCOC(=O)C(C=O)SCOC 62a_100000766300_100000053139 [0,2,0,0,0,0|2,0,0]=4 13025 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100000053139_100011218213 [0,2,0,0,0,0|2,0,0]=4 13026 B11R0.191 CCOC(=O)C(C=O)SCSC 62a_100011218213_100000053139 [0,2,0,0,0,0|2,0,0]=4 13027 B11R0.191 CCOC(=O)C(CC)NCCF 34a_100000724931_100000212269 [0,2,0,0,0,0|2,0,0]=4 13028 B11R0.191 CCOC(=O)C(CC)NCCO 2230a_100016997473_100000212269 [0,2,0,0,0,0|2,0,0]=4 13029 B11R0.191 CCOC(=O)C(CC)NCCO 34a_100016990907_100000212269 [0,2,0,0,0,0|2,0,0]=4 13030 B11R0.191 CCOC(=O)C(CC)OCCBr 34a_100000211926_100000212269 [0,2,0,0,0,0|2,0,0]=4 13031 B11R0.191 CCOC(=O)C(CC)OCCF 34a_100011216719_100011217306 [0,2,0,0,0,0|2,0,0]=4 13032 B11R0.191 CCOC(=O)C(CC)OCCF 7a_100011216719_100011217306 [0,2,0,0,0,0|2,0,0]=4 13033 B11R0.191 CCOC(=O)C(CC)OCCN 34a_100000210304_100000212269 [0,2,0,0,0,0|2,0,0]=4 13034 B11R0.191 CCOC(=O)C(CC)OCCO 34a_100011216719_100000211926 [0,2,0,0,0,0|2,0,0]=4 13035 B11R0.191 CCOC(=O)C(CC)OCCO 7a_100011216719_100000211926 [0,2,0,0,0,0|2,0,0]=4 13036 B11R0.191 CCOC(=O)C(CC)OCSC 34a_100011216719_100011218213 [0,2,0,0,0,0|2,0,0]=4 13037 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100000212269_100011217306 [0,2,0,0,0,0|2,0,0]=4 13038 B11R0.191 CCOC(=O)C(CC)SCCF 62a_100011217306_100000212269 [0,2,0,0,0,0|2,0,0]=4 13039 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000211926_100000212269 [0,2,0,0,0,0|2,0,0]=4 13040 B11R0.191 CCOC(=O)C(CC)SCCO 62a_100000212269_100000211926 [0,2,0,0,0,0|2,0,0]=4 13041 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000212269_100000766300 [0,2,0,0,0,0|2,0,0]=4 13042 B11R0.191 CCOC(=O)C(CC)SCOC 62a_100000766300_100000212269 [0,2,0,0,0,0|2,0,0]=4 13043 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100000212269_100011218213 [0,2,0,0,0,0|2,0,0]=4 13044 B11R0.191 CCOC(=O)C(CC)SCSC 62a_100011218213_100000212269 [0,2,0,0,0,0|2,0,0]=4 13045 B11R0.191 CCOC(=O)C(NCCF)SC 34a_100000724931_100009893047 [0,2,0,0,0,0|2,0,0]=4 13046 B11R0.191 CCOC(=O)C(NCCO)SC 34a_100016990907_100009893047 [0,2,0,0,0,0|2,0,0]=4 13047 B11R0.191 CCOC(=O)C(OCCBr)SC 34a_100000211926_100009893047 [0,2,0,0,0,0|2,0,0]=4 13048 B11R0.191 CCOC(=O)C(OCCN)SC 34a_100000210304_100009893047 [0,2,0,0,0,0|2,0,0]=4 13049 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100009893047_100011217306 [0,2,0,0,0,0|2,0,0]=4 13050 B11R0.191 CCOC(=O)C(SC)SCCF 62a_100011217306_100009893047 [0,2,0,0,0,0|2,0,0]=4 13051 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100000211926_100009893047 [0,2,0,0,0,0|2,0,0]=4 13052 B11R0.191 CCOC(=O)C(SC)SCCO 62a_100009893047_100000211926 [0,2,0,0,0,0|2,0,0]=4 13053 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100000766300_100009893047 [0,2,0,0,0,0|2,0,0]=4 13054 B11R0.191 CCOC(=O)C(SC)SCOC 62a_100009893047_100000766300 [0,2,0,0,0,0|2,0,0]=4 13055 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100009893047_100011218213 [0,2,0,0,0,0|2,0,0]=4 13056 B11R0.191 CCOC(=O)C(SC)SCSC 62a_100011218213_100009893047 [0,2,0,0,0,0|2,0,0]=4 13057 B11R0.247 CCCCC(C)(C)C(=O)CCC 1458a_100011216040_100000210303 [0,2,0,0,0,0|1,0,0]=3 13058 B11R0.247 CCCCC(C)(C)C(=O)CCF 1458a_100011216040_100011217306 [0,2,0,0,0,0|2,0,0]=4 13059 B11R0.247 CCCCC(C)(C)C(=O)CCO 1458a_100011216040_100000211926 [0,2,0,0,0,0|2,0,0]=4 13060 B11R0.247 CCCCC(C)(C)C(=O)NCC 11a_100015525214_100011216040 [0,2,0,0,0,0|1,0,0]=3 13061 B11R0.247 CCCCC(C)(C)C(=O)NCC 240690a_100015525214_100011216040 [0,2,0,0,0,0|1,0,0]=3 13062 B11R0.247 CCCCC(C)(C)C(=O)NCC 527a_100015525214_100011216040 [0,2,0,0,0,0|1,0,0]=3 13063 B11R0.247 CCCCC(C)(C)C(=O)NNC 22a_100016993582_100011216040 [0,2,0,0,0,0|2,0,0]=4 13064 B11R0.247 CCCCC(C)(O)C(=O)CCC 1458a_100000137666_100000210303 [0,2,0,0,0,0|1,0,0]=3 13065 B11R0.247 CCCCC(C)(O)C(=O)CCF 1458a_100000137666_100011217306 [0,2,0,0,0,0|2,0,0]=4 13066 B11R0.247 CCCCC(C)(O)C(=O)CCO 1458a_100000137666_100000211926 [0,2,0,0,0,0|2,0,0]=4 13067 B11R0.247 CCCCC(C)(O)C(=O)NCC 240690a_100015525214_100000137666 [0,2,0,0,0,0|1,0,0]=3 13068 B11R0.247 CCCCC(C)(O)C(=O)NNC 22a_100016993582_100000137666 [0,2,0,0,0,0|2,0,0]=4 13069 B11R0.247 CCCCC(F)(F)C(=O)CCC 1458a_100000100317_100000210303 [0,2,0,0,0,0|1,0,0]=3 13070 B11R0.247 CCCCC(F)(F)C(=O)CCF 1458a_100000100317_100011217306 [0,2,0,0,0,0|2,0,0]=4 13071 B11R0.247 CCCCC(F)(F)C(=O)CCO 1458a_100000100317_100000211926 [0,2,0,0,0,0|2,0,0]=4 13072 B11R0.247 CCCCC(F)(F)C(=O)NCC 11a_100015525214_100000100317 [0,2,0,0,0,0|1,0,0]=3 13073 B11R0.247 CCCCC(F)(F)C(=O)NCC 240690a_100015525214_100000100317 [0,2,0,0,0,0|1,0,0]=3 13074 B11R0.247 CCCCC(F)(F)C(=O)NCC 527a_100015525214_100000100317 [0,2,0,0,0,0|1,0,0]=3 13075 B11R0.247 CCCCC(F)(F)C(=O)NNC 22a_100016993582_100000100317 [0,2,0,0,0,0|2,0,0]=4 13076 B11R0.247 CCCOC(C)(C)C(=O)OCC 34a_100000686869_100000210303 [0,2,0,0,0,0|1,0,0]=3 13077 B11R0.247 CCCOC(C)(C)C(=O)OCC 7a_100000686869_100000210303 [0,2,0,0,0,0|1,0,0]=3 13078 B11R0.247 CCCOC(F)(F)C(=O)OCC 34a_100000210258_100000210910 [0,2,0,0,0,0|1,0,0]=3 13079 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100000210303_100011216345 [0,2,0,0,0,0|1,0,0]=3 13080 B11R0.247 CCCSC(C)(C)C(=O)OCC 62a_100011216345_100000210303 [0,2,0,0,0,0|1,0,0]=3 13081 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210303_100000210910 [0,2,0,0,0,0|1,0,0]=3 13082 B11R0.247 CCCSC(F)(F)C(=O)OCC 62a_100000210910_100000210303 [0,2,0,0,0,0|1,0,0]=3 13083 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100000210202_100011895991 [0,2,0,0,0,0|2,0,0]=4 13084 B11R0.247 CCNC(=O)C(C)(C)CSCC 62a_100011895991_100000210202 [0,2,0,0,0,0|2,0,0]=4 13085 B11R0.247 CCNCC(C)(C)C(=O)OCC 2230a_100015525214_100011219049 [0,2,0,0,0,0|1,0,0]=3 13086 B11R0.247 CCOC(=O)C(C)(C)COCF 7a_100011765865_100015361967 [0,2,0,0,0,0|2,0,0]=4 13087 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100000210202_100011219049 [0,2,0,0,0,0|1,0,0]=3 13088 B11R0.247 CCOC(=O)C(C)(C)CSCC 62a_100011219049_100000210202 [0,2,0,0,0,0|1,0,0]=3 13089 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100011219049_100015361967 [0,2,0,0,0,0|2,0,0]=4 13090 B11R0.247 CCOC(=O)C(C)(C)CSCF 62a_100015361967_100011219049 [0,2,0,0,0,0|2,0,0]=4 13091 B11R0.247 CCOC(=O)C(C)(C)NCCO 2230a_100016997473_100011216345 [0,2,0,0,0,0|2,0,0]=4 13092 B11R0.247 CCOC(=O)C(C)(C)OCCF 34a_100000686869_100011217306 [0,2,0,0,0,0|2,0,0]=4 13093 B11R0.247 CCOC(=O)C(C)(C)OCCF 7a_100000686869_100011217306 [0,2,0,0,0,0|2,0,0]=4 13094 B11R0.247 CCOC(=O)C(C)(C)OCCO 34a_100000686869_100000211926 [0,2,0,0,0,0|2,0,0]=4 13095 B11R0.247 CCOC(=O)C(C)(C)OCCO 7a_100000686869_100000211926 [0,2,0,0,0,0|2,0,0]=4 13096 B11R0.247 CCOC(=O)C(C)(C)OCSC 34a_100000686869_100011218213 [0,2,0,0,0,0|2,0,0]=4 13097 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011216345_100011217306 [0,2,0,0,0,0|2,0,0]=4 13098 B11R0.247 CCOC(=O)C(C)(C)SCCF 62a_100011217306_100011216345 [0,2,0,0,0,0|2,0,0]=4 13099 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100000211926_100011216345 [0,2,0,0,0,0|2,0,0]=4 13100 B11R0.247 CCOC(=O)C(C)(C)SCCO 62a_100011216345_100000211926 [0,2,0,0,0,0|2,0,0]=4 13101 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100000766300_100011216345 [0,2,0,0,0,0|2,0,0]=4 13102 B11R0.247 CCOC(=O)C(C)(C)SCOC 62a_100011216345_100000766300 [0,2,0,0,0,0|2,0,0]=4 13103 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011216345_100011218213 [0,2,0,0,0,0|2,0,0]=4 13104 B11R0.247 CCOC(=O)C(C)(C)SCSC 62a_100011218213_100011216345 [0,2,0,0,0,0|2,0,0]=4 13105 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100000210202_100009817193 [0,2,0,0,0,0|1,0,0]=3 13106 B11R0.247 CCOC(=O)C(F)(F)CSCC 62a_100009817193_100000210202 [0,2,0,0,0,0|1,0,0]=3 13107 B11R0.247 CCOC(=O)C(F)(F)CSCF 62a_100009817193_100015361967 [0,2,0,0,0,0|2,0,0]=4 13108 B11R0.247 CCOC(=O)C(F)(F)CSCF 62a_100015361967_100009817193 [0,2,0,0,0,0|2,0,0]=4 13109 B11R0.247 CCOC(=O)C(F)(F)NCCF 34a_100000724931_100000210910 [0,2,0,0,0,0|2,0,0]=4 13110 B11R0.247 CCOC(=O)C(F)(F)NCCO 34a_100016990907_100000210910 [0,2,0,0,0,0|2,0,0]=4 13111 B11R0.247 CCOC(=O)C(F)(F)OCCBr 34a_100000211926_100000210910 [0,2,0,0,0,0|2,0,0]=4 13112 B11R0.247 CCOC(=O)C(F)(F)OCCN 34a_100000210304_100000210910 [0,2,0,0,0,0|2,0,0]=4 13113 B11R0.247 CCOC(=O)C(F)(F)SCCF 62a_100000210910_100011217306 [0,2,0,0,0,0|2,0,0]=4 13114 B11R0.247 CCOC(=O)C(F)(F)SCCF 62a_100011217306_100000210910 [0,2,0,0,0,0|2,0,0]=4 13115 B11R0.247 CCOC(=O)C(F)(F)SCCO 62a_100000210910_100000211926 [0,2,0,0,0,0|2,0,0]=4 13116 B11R0.247 CCOC(=O)C(F)(F)SCCO 62a_100000211926_100000210910 [0,2,0,0,0,0|2,0,0]=4 13117 B11R0.247 CCOC(=O)C(F)(F)SCOC 62a_100000210910_100000766300 [0,2,0,0,0,0|2,0,0]=4 13118 B11R0.247 CCOC(=O)C(F)(F)SCOC 62a_100000766300_100000210910 [0,2,0,0,0,0|2,0,0]=4 13119 B11R0.247 CCOC(=O)C(F)(F)SCSC 62a_100000210910_100011218213 [0,2,0,0,0,0|2,0,0]=4 13120 B11R0.247 CCOC(=O)C(F)(F)SCSC 62a_100011218213_100000210910 [0,2,0,0,0,0|2,0,0]=4 13121 B11R0.247 CCOCC(C)(C)C(=O)OCC 7a_100011765865_100000210202 [0,2,0,0,0,0|1,0,0]=3 13122 B11R0.247 CCOCC(F)(F)C(=O)OCC 34a_100121572206_100009817193 [0,2,0,0,0,0|1,0,0]=3 13123 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,2,0,0,0,0|1,0,1]=4 13124 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,2,0,0,0,0|1,0,1]=4 13125 B11R0.78 CCCCCC(OCC)C(C)C 34a_200011216997_100000210202 [0,2,0,0,0,0|1,0,1]=4 13126 B11R0.78 CCCCCC(OCC)C(C)C 7a_200011216997_100000210202 [0,2,0,0,0,0|1,0,1]=4 13127 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 13128 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 13129 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 13130 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [0,2,0,0,0,0|2,0,0]=4 13131 B11R0.80 C=CCC(CCCCC)OCC 34a_200011216309_100000210202 [0,2,0,0,0,0|1,0,1]=4 13132 B11R0.80 C=CCC(CCCCC)OCC 7a_200011216309_100000210202 [0,2,0,0,0,0|1,0,1]=4 13133 B11R0.80 CCCCCC(CCC)OCC 34a_200011215058_100000210202 [0,2,0,0,0,0|1,0,1]=4 13134 B11R0.80 CCCCCC(CCC)OCC 7a_200011215058_100000210202 [0,2,0,0,0,0|1,0,1]=4 13135 B11R0.80 CCCCCN(CC=O)CCC 2230a_200000226819_200015260668 [0,2,0,0,0,0|2,0,0]=4 13136 B11R0.80 CCCCCN(CC=O)CCC 269982a_200000226819_200015260668 [0,2,0,0,0,0|2,0,0]=4 13137 B11R0.152 C#CC(CCCCC)OCCC 34a_100011216489_100000210303 [0,2,0,0,0,0|1,0,1]=4 13138 B11R0.152 C#CC(CCCCC)OCCC 7a_100011216489_100000210303 [0,2,0,0,0,0|1,0,1]=4 13139 B11R0.152 C#CC(CCCCC)OCCF 34a_100011216489_100011217306 [0,2,0,0,0,0|1,0,1]=4 13140 B11R0.152 C#CC(CCCCC)OCCF 7a_100011216489_100011217306 [0,2,0,0,0,0|1,0,1]=4 13141 B11R0.152 C#CC(CCCCC)OCCO 34a_100011216489_100000211926 [0,2,0,0,0,0|1,0,1]=4 13142 B11R0.152 C#CC(CCCCC)OCCO 7a_100011216489_100000211926 [0,2,0,0,0,0|1,0,1]=4 13143 B11R0.152 C#CC(CCCCC)OCSC 34a_100011216489_100011218213 [0,2,0,0,0,0|1,0,1]=4 13144 B11R0.152 C=CC(=NNCC)CCCCC 4a_100000756455_100011217817 [0,2,0,0,0,0|2,0,0]=4 13145 B11R0.152 C=CC(CCCCC)OCCC 34a_100011216863_100000210303 [0,2,0,0,0,0|1,0,1]=4 13146 B11R0.152 C=CC(CCCCC)OCCC 7a_100011216863_100000210303 [0,2,0,0,0,0|1,0,1]=4 13147 B11R0.152 C=CC(CCCCC)OCCF 34a_100011216863_100011217306 [0,2,0,0,0,0|1,0,1]=4 13148 B11R0.152 C=CC(CCCCC)OCCF 7a_100011216863_100011217306 [0,2,0,0,0,0|1,0,1]=4 13149 B11R0.152 C=CC(CCCCC)OCCO 34a_100011216863_100000211926 [0,2,0,0,0,0|1,0,1]=4 13150 B11R0.152 C=CC(CCCCC)OCCO 7a_100011216863_100000211926 [0,2,0,0,0,0|1,0,1]=4 13151 B11R0.152 C=CC(CCCCC)OCSC 34a_100011216863_100011218213 [0,2,0,0,0,0|1,0,1]=4 13152 B11R0.152 CCCCCC(=NNCC)CC 4a_100000756455_100011215316 [0,2,0,0,0,0|2,0,0]=4 13153 B11R0.152 CCCCCC(CC)OCCC 34a_100011215405_100000210303 [0,2,0,0,0,0|1,0,1]=4 13154 B11R0.152 CCCCCC(CC)OCCC 7a_100011215405_100000210303 [0,2,0,0,0,0|1,0,1]=4 13155 B11R0.152 CCCCCC(CC)OCCF 34a_100011215405_100011217306 [0,2,0,0,0,0|1,0,1]=4 13156 B11R0.152 CCCCCC(CC)OCCF 7a_100011215405_100011217306 [0,2,0,0,0,0|1,0,1]=4 13157 B11R0.152 CCCCCC(CC)OCCO 34a_100011215405_100000211926 [0,2,0,0,0,0|1,0,1]=4 13158 B11R0.152 CCCCCC(CC)OCCO 7a_100011215405_100000211926 [0,2,0,0,0,0|1,0,1]=4 13159 B11R0.152 CCCCCC(CC)OCSC 34a_100011215405_100011218213 [0,2,0,0,0,0|1,0,1]=4 13160 B11R0.87 CCC(C)(C)C(=O)CCCCF 1458a_100000749717_100000729493 [0,2,0,0,0,0|2,0,0]=4 13161 B11R0.87 CCC(C)(C)C(=O)CCCCO 1458a_100000749717_100000210776 [0,2,0,0,0,0|2,0,0]=4 13162 B11R0.87 CCC(C)(C)C(=O)CCCOC 1458a_100000749717_100000740836 [0,2,0,0,0,0|2,0,0]=4 13163 B11R0.87 CCC(C)(O)C(=O)CCCCF 1458a_100011219770_100000729493 [0,2,0,0,0,0|2,0,0]=4 13164 B11R0.87 CCC(C)(O)C(=O)CCCCO 1458a_100011219770_100000210776 [0,2,0,0,0,0|2,0,0]=4 13165 B11R0.87 CCC(C)(O)C(=O)CCCOC 1458a_100011219770_100000740836 [0,2,0,0,0,0|2,0,0]=4 13166 B11R0.87 CCC(F)(F)C(=O)CCCCF 1458a_100000061896_100000729493 [0,2,0,0,0,0|2,0,0]=4 13167 B11R0.87 CCC(F)(F)C(=O)CCCCO 1458a_100000061896_100000210776 [0,2,0,0,0,0|2,0,0]=4 13168 B11R0.87 CCC(F)(F)C(=O)CCCOC 1458a_100000061896_100000740836 [0,2,0,0,0,0|2,0,0]=4 13169 B11R0.87 CCCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210326 [0,2,0,0,0,0|1,0,0]=3 13170 B11R0.87 CCCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210326 [0,2,0,0,0,0|2,0,0]=4 13171 B11R0.87 CCCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210326 [0,2,0,0,0,0|2,0,0]=4 13172 B11R0.87 CCCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210326 [0,2,0,0,0,0|2,0,0]=4 13173 B11R0.87 CCCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210326 [0,2,0,0,0,0|1,0,0]=3 13174 B11R0.87 CCCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210326 [0,2,0,0,0,0|1,0,0]=3 13175 B11R0.87 CCCCNC(=O)C(C)(C)CC 11a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 13176 B11R0.87 CCCCNC(=O)C(C)(C)CC 1626a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 13177 B11R0.87 CCCCNC(=O)C(C)(C)CC 240690a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 13178 B11R0.87 CCCCNC(=O)C(C)(C)CC 527a_100000102301_100000749717 [0,2,0,0,0,0|2,0,0]=4 13179 B11R0.87 CCCCNC(=O)C(C)(O)CC 240690a_100000102301_100011219770 [0,2,0,0,0,0|2,0,0]=4 13180 B11R0.87 CCCCNC(=O)C(F)(F)CC 11a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 13181 B11R0.87 CCCCNC(=O)C(F)(F)CC 1626a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 13182 B11R0.87 CCCCNC(=O)C(F)(F)CC 240690a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 13183 B11R0.87 CCCCNC(=O)C(F)(F)CC 527a_100000102301_100000061896 [0,2,0,0,0,0|2,0,0]=4 13184 B11R0.87 CCOCCC(=O)C(C)(C)CC 1458a_100000749717_100011215890 [0,2,0,0,0,0|2,0,0]=4 13185 B11R0.87 CCOCCC(=O)C(C)(O)CC 1458a_100011219770_100011215890 [0,2,0,0,0,0|2,0,0]=4 13186 B11R0.87 CCOCCC(=O)C(F)(F)CC 1458a_100000061896_100011215890 [0,2,0,0,0,0|2,0,0]=4 13187 B11R0.87 CCSCCC(=O)C(C)(C)CC 1458a_100000749717_100000757381 [0,2,0,0,0,0|2,0,0]=4 13188 B11R0.87 CCSCCC(=O)C(C)(O)CC 1458a_100011219770_100000757381 [0,2,0,0,0,0|2,0,0]=4 13189 B11R0.87 CCSCCC(=O)C(F)(F)CC 1458a_100000061896_100000757381 [0,2,0,0,0,0|2,0,0]=4 13190 B11R0.120 CCC(C)C(=O)CCN(C)CC 1458a_100000755305_100000758301 [0,2,0,0,0,0|2,0,0]=4 13191 B11R0.120 CCC(C)C(=O)CCS(=O)CC 1458a_100011387550_100000758301 [0,2,0,0,0,0|2,0,0]=4 13192 B11R0.120 CCC(C)CCC(=O)C(C)CC 1458a_100000701222_100000758301 [0,2,0,0,0,0|1,0,0]=3 13193 B11R0.120 CCC(C)CCC(=O)N(C)CC 11a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 13194 B11R0.120 CCC(C)CCC(=O)N(C)CC 1626a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 13195 B11R0.120 CCC(C)CCC(=O)N(C)CC 240690a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 13196 B11R0.120 CCC(C)CCC(=O)N(C)CC 527a_100000225621_100000701222 [0,2,0,0,0,0|1,0,0]=3 13197 B11R0.120 CCC(C)CNC(=O)C(C)CC 11a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 13198 B11R0.120 CCC(C)CNC(=O)C(C)CC 1626a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 13199 B11R0.120 CCC(C)CNC(=O)C(C)CC 240690a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 13200 B11R0.120 CCC(C)CNC(=O)C(C)CC 527a_100020588543_100011192722 [0,2,0,0,0,0|2,0,0]=4 13201 B11R0.120 CCC(C)CNC(=O)C(O)CC 240690a_100020588543_100011196387 [0,2,0,0,0,0|2,0,0]=4 13202 B11R0.120 CCC(C)CNC(=O)N(C)CC 2708a_100020588543_100000225621 [0,2,0,0,0,0|2,0,0]=4 13203 B11R0.120 CCC(C)CNC(=O)N(C)CC 273464a_100020588543_100000225621 [0,2,0,0,0,0|2,0,0]=4 13204 B11R0.120 CCC(C)NCC(=O)N(C)CC 2230a_100000209981_100000738999 [0,2,0,0,0,0|2,0,0]=4 13205 B11R0.120 CCC(C)OCC(=O)N(C)CC 7a_100000210228_100000738999 [0,2,0,0,0,0|2,0,0]=4 13206 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000738999_100000758301 [0,2,0,0,0,0|2,0,0]=4 13207 B11R0.120 CCC(C)SCC(=O)N(C)CC 62a_100000758301_100000738999 [0,2,0,0,0,0|2,0,0]=4 13208 B11R0.120 CCC(O)CCC(=O)N(C)CC 1626a_100000225621_203496584001 [0,2,0,0,0,0|1,0,0]=3 13209 B11R0.120 CCC(O)CCC(=O)N(C)CC 240690a_100000225621_203496584001 [0,2,0,0,0,0|1,0,0]=3 13210 B11R0.120 CCC(O)CNC(=O)C(C)CC 11a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 13211 B11R0.120 CCC(O)CNC(=O)C(C)CC 240690a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 13212 B11R0.120 CCC(O)CNC(=O)C(C)CC 527a_100011218483_100011192722 [0,2,0,0,0,0|2,0,0]=4 13213 B11R0.120 CCC(O)CNC(=O)C(O)CC 240690a_100011218483_100011196387 [0,2,0,0,0,0|2,0,0]=4 13214 B11R0.120 CCC(O)CNC(=O)N(C)CC 273464a_100011218483_100000225621 [0,2,0,0,0,0|2,0,0]=4 13215 B11R0.120 CCN(C)C(=O)CCS(=O)CC 11a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 13216 B11R0.120 CCN(C)C(=O)CCS(=O)CC 1626a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 13217 B11R0.120 CCN(C)C(=O)CCS(=O)CC 240690a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 13218 B11R0.120 CCN(C)C(=O)CCS(=O)CC 527a_100000225621_100011387550 [0,2,0,0,0,0|2,0,0]=4 13219 B11R0.120 CCN(C)CCC(=O)N(C)CC 240690a_100000225621_100000755305 [0,2,0,0,0,0|2,0,0]=4 13220 B11R0.157 CCC(CC)C(=O)CCCCF 1458a_100000211163_100000729493 [0,2,0,0,0,0|2,0,0]=4 13221 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000211163_100000210776 [0,2,0,0,0,0|2,0,0]=4 13222 B11R0.157 CCC(CC)C(=O)CCCCO 1458a_100000695505_100000210505 [0,2,0,0,0,0|2,0,0]=4 13223 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000211163_100000740836 [0,2,0,0,0,0|2,0,0]=4 13224 B11R0.157 CCC(CC)C(=O)CCCOC 1458a_100000741012_100000210505 [0,2,0,0,0,0|2,0,0]=4 13225 B11R0.157 CCC(CC)C(=O)CCCSC 1458a_100000173376_100000210505 [0,2,0,0,0,0|2,0,0]=4 13226 B11R0.157 CCC(OC)C(=O)CCCCF 1458a_100000747056_100000729493 [0,2,0,0,0,0|2,0,0]=4 13227 B11R0.157 CCC(OC)C(=O)CCCCO 1458a_100000747056_100000210776 [0,2,0,0,0,0|2,0,0]=4 13228 B11R0.157 CCC(OC)C(=O)CCCOC 1458a_100000747056_100000740836 [0,2,0,0,0,0|2,0,0]=4 13229 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000211163_100000210326 [0,2,0,0,0,0|1,0,0]=3 13230 B11R0.157 CCCCCC(=O)C(CC)CC 1458a_100000212188_100000210505 [0,2,0,0,0,0|1,0,0]=3 13231 B11R0.157 CCCCCC(=O)C(CC)OC 1458a_100000747056_100000210326 [0,2,0,0,0,0|1,0,0]=3 13232 B11R0.157 CCCCCC(=O)C(OC)OC 1458a_100000046285_100000210326 [0,2,0,0,0,0|2,0,0]=4 13233 B11R0.157 CCCCCC(=O)N(CC)CC 11a_100000724800_100000212188 [0,2,0,0,0,0|1,0,0]=3 13234 B11R0.157 CCCCCC(=O)N(CC)CC 1626a_100000724800_100000212188 [0,2,0,0,0,0|1,0,0]=3 13235 B11R0.157 CCCCCC(=O)N(CC)CC 240690a_100000724800_100000212188 [0,2,0,0,0,0|1,0,0]=3 13236 B11R0.157 CCCCCC(=O)N(CC)CC 527a_100000724800_100000212188 [0,2,0,0,0,0|1,0,0]=3 13237 B11R0.157 CCCCNC(=O)C(CC)CC 11a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 13238 B11R0.157 CCCCNC(=O)C(CC)CC 1626a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 13239 B11R0.157 CCCCNC(=O)C(CC)CC 240690a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 13240 B11R0.157 CCCCNC(=O)C(CC)CC 527a_100000102301_100000211163 [0,2,0,0,0,0|2,0,0]=4 13241 B11R0.157 CCCCNC(=O)C(CC)NC 2230a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 13242 B11R0.157 CCCCNC(=O)C(CC)NC 7a_106832991635_200011763471 [0,2,0,0,0,0|2,0,0]=4 13243 B11R0.157 CCCCNC(=O)C(CC)OC 11a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 13244 B11R0.157 CCCCNC(=O)C(CC)OC 1626a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 13245 B11R0.157 CCCCNC(=O)C(CC)OC 240690a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 13246 B11R0.157 CCCCNC(=O)C(CC)OC 527a_100000102301_100000747056 [0,2,0,0,0,0|2,0,0]=4 13247 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200000210301_200011763471 [0,2,0,0,0,0|2,0,0]=4 13248 B11R0.157 CCCCNC(=O)C(CC)SC 62a_200011763471_200000210301 [0,2,0,0,0,0|2,0,0]=4 13249 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200011763471_200025704644 [0,2,0,0,0,0|2,0,0]=4 13250 B11R0.157 CCCCNC(=O)C(CC)S[13CH3] 62a_200025704644_200011763471 [0,2,0,0,0,0|2,0,0]=4 13251 B11R0.157 CCCCNC(=O)N(CC)CC 2708a_100000102301_100000724800 [0,2,0,0,0,0|2,0,0]=4 13252 B11R0.157 CCCCNC(=O)N(CC)CC 273464a_100000102301_100000724800 [0,2,0,0,0,0|2,0,0]=4 13253 B11R0.157 CCCCOC(=O)[C@H](CC)OC 34a_100020628826_200000210301 [0,2,0,0,0,0|2,0,0]=4 13254 B11R0.157 CCCCOC(=O)[C@H](CC)OC 7a_100020628826_200000210301 [0,2,0,0,0,0|2,0,0]=4 13255 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 34a_100020628826_200025704644 [0,2,0,0,0,0|2,0,0]=4 13256 B11R0.157 CCCCOC(=O)[C@H](CC)O[13CH3] 7a_100020628826_200025704644 [0,2,0,0,0,0|2,0,0]=4 13257 B11R0.157 CCCNCC(=O)N(CC)CC 2230a_100000174916_100000210303 [0,2,0,0,0,0|2,0,0]=4 13258 B11R0.157 CCCOCC(=O)C(CC)CC 1458a_100000745993_100000210505 [0,2,0,0,0,0|2,0,0]=4 13259 B11R0.157 CCCOCC(=O)N(CC)CC 11a_100000724800_100000745993 [0,2,0,0,0,0|2,0,0]=4 13260 B11R0.157 CCCOCC(=O)N(CC)CC 1626a_100000724800_100000745993 [0,2,0,0,0,0|2,0,0]=4 13261 B11R0.157 CCCOCC(=O)N(CC)CC 240690a_100000724800_100000745993 [0,2,0,0,0,0|2,0,0]=4 13262 B11R0.157 CCCOCC(=O)N(CC)CC 34a_100000210258_100000211521 [0,2,0,0,0,0|2,0,0]=4 13263 B11R0.157 CCCOCC(=O)N(CC)CC 527a_100000724800_100000745993 [0,2,0,0,0,0|2,0,0]=4 13264 B11R0.157 CCCOCC(=O)N(CC)CC 7a_200000238847_100000210303 [0,2,0,0,0,0|2,0,0]=4 13265 B11R0.157 CCCSCC(=O)C(CC)CC 1458a_100000217233_100000210505 [0,2,0,0,0,0|2,0,0]=4 13266 B11R0.157 CCCSCC(=O)N(CC)CC 11a_100000724800_100000217233 [0,2,0,0,0,0|2,0,0]=4 13267 B11R0.157 CCCSCC(=O)N(CC)CC 1626a_100000724800_100000217233 [0,2,0,0,0,0|2,0,0]=4 13268 B11R0.157 CCCSCC(=O)N(CC)CC 240690a_100000724800_100000217233 [0,2,0,0,0,0|2,0,0]=4 13269 B11R0.157 CCCSCC(=O)N(CC)CC 527a_100000724800_100000217233 [0,2,0,0,0,0|2,0,0]=4 13270 B11R0.157 CCCSCC(=O)N(CC)CC 62a_100000210303_100000211521 [0,2,0,0,0,0|2,0,0]=4 13271 B11R0.157 CCCSCC(=O)N(CC)CC 62a_100000211521_100000210303 [0,2,0,0,0,0|2,0,0]=4 13272 B11R0.157 CCN(CC)C(=O)CCCCO 1626a_100000724800_100000695505 [0,2,0,0,0,0|2,0,0]=4 13273 B11R0.157 CCN(CC)C(=O)CCCNC 7a_106832991635_100000183999 [0,2,0,0,0,0|2,0,0]=4 13274 B11R0.157 CCN(CC)C(=O)CCCOC 11a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 13275 B11R0.157 CCN(CC)C(=O)CCCOC 1626a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 13276 B11R0.157 CCN(CC)C(=O)CCCOC 240690a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 13277 B11R0.157 CCN(CC)C(=O)CCCOC 527a_100000724800_100000741012 [0,2,0,0,0,0|2,0,0]=4 13278 B11R0.157 CCN(CC)C(=O)CCCSC 11a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 13279 B11R0.157 CCN(CC)C(=O)CCCSC 1626a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 13280 B11R0.157 CCN(CC)C(=O)CCCSC 240690a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 13281 B11R0.157 CCN(CC)C(=O)CCCSC 527a_100000724800_100000173376 [0,2,0,0,0,0|2,0,0]=4 13282 B11R0.157 CCN(CC)C(=O)CCCSC 62a_200000210301_100000183999 [0,2,0,0,0,0|2,0,0]=4 13283 B11R0.157 CCN(CC)C(=O)CCCS[13CH3] 62a_200025704644_100000183999 [0,2,0,0,0,0|2,0,0]=4 13284 B11R0.157 CCNCCC(=O)N(CC)CC 2230a_100015525214_100011194432 [0,2,0,0,0,0|2,0,0]=4 13285 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000211163_100011215890 [0,2,0,0,0,0|2,0,0]=4 13286 B11R0.157 CCOCCC(=O)C(CC)CC 1458a_100000749530_100000210505 [0,2,0,0,0,0|2,0,0]=4 13287 B11R0.157 CCOCCC(=O)C(CC)OC 1458a_100000747056_100011215890 [0,2,0,0,0,0|2,0,0]=4 13288 B11R0.157 CCOCCC(=O)N(CC)CC 11a_100000724800_100000749530 [0,2,0,0,0,0|2,0,0]=4 13289 B11R0.157 CCOCCC(=O)N(CC)CC 1626a_100000724800_100000749530 [0,2,0,0,0,0|2,0,0]=4 13290 B11R0.157 CCOCCC(=O)N(CC)CC 240690a_100000724800_100000749530 [0,2,0,0,0,0|2,0,0]=4 13291 B11R0.157 CCOCCC(=O)N(CC)CC 527a_100000724800_100000749530 [0,2,0,0,0,0|2,0,0]=4 13292 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000211163_100000757381 [0,2,0,0,0,0|2,0,0]=4 13293 B11R0.157 CCSCCC(=O)C(CC)CC 1458a_100000230768_100000210505 [0,2,0,0,0,0|2,0,0]=4 13294 B11R0.157 CCSCCC(=O)C(CC)OC 1458a_100000747056_100000757381 [0,2,0,0,0,0|2,0,0]=4 13295 B11R0.157 CCSCCC(=O)N(CC)CC 11a_100000724800_100000230768 [0,2,0,0,0,0|2,0,0]=4 13296 B11R0.157 CCSCCC(=O)N(CC)CC 1626a_100000724800_100000230768 [0,2,0,0,0,0|2,0,0]=4 13297 B11R0.157 CCSCCC(=O)N(CC)CC 240690a_100000724800_100000230768 [0,2,0,0,0,0|2,0,0]=4 13298 B11R0.157 CCSCCC(=O)N(CC)CC 527a_100000724800_100000230768 [0,2,0,0,0,0|2,0,0]=4 13299 B11R0.157 CCSCCC(=O)N(CC)CC 62a_100000210202_100011194432 [0,2,0,0,0,0|2,0,0]=4 13300 B11R0.326 CCCCCS(=O)(=O)N(C)CC 270084a_100000225621_100000753860 [0,2,0,0,0,0|2,0,0]=4 13301 B11R0.326 CCCCCS(=O)(=O)N(C)CC 274078a_100000225621_100000753860 [0,2,0,0,0,0|2,0,0]=4 13302 B11R0.46 C#CCCCC(=O)COC(C)C 1458a_100000745533_100000731252 [0,2,0,0,0,0|0,0,2]=4 13303 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_100000212188_100000730704 [0,2,0,0,0,0|1,0,0]=3 13304 B11R0.46 C=C(C)CCC(=O)CCCCC 1458a_200000688413_100000210326 [0,2,0,0,0,0|1,0,0]=3 13305 B11R0.46 C=C(C)CCC(=O)CCCCF 1458a_200000688413_100000729493 [0,2,0,0,0,0|2,0,0]=4 13306 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_100000695505_100000730704 [0,2,0,0,0,0|2,0,0]=4 13307 B11R0.46 C=C(C)CCC(=O)CCCCO 1458a_200000688413_100000210776 [0,2,0,0,0,0|2,0,0]=4 13308 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_100000741012_100000730704 [0,2,0,0,0,0|2,0,0]=4 13309 B11R0.46 C=C(C)CCC(=O)CCCOC 1458a_200000688413_100000740836 [0,2,0,0,0,0|2,0,0]=4 13310 B11R0.46 C=C(C)CCC(=O)CCCSC 1458a_100000173376_100000730704 [0,2,0,0,0,0|2,0,0]=4 13311 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_100000749530_100000730704 [0,2,0,0,0,0|2,0,0]=4 13312 B11R0.46 C=C(C)CCC(=O)CCOCC 1458a_200000688413_100011215890 [0,2,0,0,0,0|2,0,0]=4 13313 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_100000230768_100000730704 [0,2,0,0,0,0|2,0,0]=4 13314 B11R0.46 C=C(C)CCC(=O)CCSCC 1458a_200000688413_100000757381 [0,2,0,0,0,0|2,0,0]=4 13315 B11R0.46 C=C(C)CCC(=O)COCCC 1458a_100000745993_100000730704 [0,2,0,0,0,0|2,0,0]=4 13316 B11R0.46 C=C(C)CCC(=O)CSCCC 1458a_100000217233_100000730704 [0,2,0,0,0,0|2,0,0]=4 13317 B11R0.46 C=C(C)CCC(=O)NCCCC 11a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 13318 B11R0.46 C=C(C)CCC(=O)NCCCC 1626a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 13319 B11R0.46 C=C(C)CCC(=O)NCCCC 240690a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 13320 B11R0.46 C=C(C)CCC(=O)NCCCC 527a_100000102301_200000688413 [0,2,0,0,0,0|2,0,0]=4 13321 B11R0.46 C=C(C)CNC(=O)CCCCC 11a_100000765925_100000212188 [0,2,0,0,0,0|1,0,0]=3 13322 B11R0.46 C=C(C)CNC(=O)CCCCC 1626a_100000765925_100000212188 [0,2,0,0,0,0|1,0,0]=3 13323 B11R0.46 C=C(C)CNC(=O)CCCCC 240690a_100000765925_100000212188 [0,2,0,0,0,0|1,0,0]=3 13324 B11R0.46 C=C(C)CNC(=O)CCCCC 527a_100000765925_100000212188 [0,2,0,0,0,0|1,0,0]=3 13325 B11R0.46 C=C(C)CNC(=O)CCCCO 1626a_100000765925_100000695505 [0,2,0,0,0,0|2,0,0]=4 13326 B11R0.46 C=C(C)CNC(=O)CCCOC 11a_100000765925_100000741012 [0,2,0,0,0,0|2,0,0]=4 13327 B11R0.46 C=C(C)CNC(=O)CCCOC 1626a_100000765925_100000741012 [0,2,0,0,0,0|2,0,0]=4 13328 B11R0.46 C=C(C)CNC(=O)CCCOC 240690a_100000765925_100000741012 [0,2,0,0,0,0|2,0,0]=4 13329 B11R0.46 C=C(C)CNC(=O)CCCOC 527a_100000765925_100000741012 [0,2,0,0,0,0|2,0,0]=4 13330 B11R0.46 C=C(C)CNC(=O)CCCSC 11a_100000765925_100000173376 [0,2,0,0,0,0|2,0,0]=4 13331 B11R0.46 C=C(C)CNC(=O)CCCSC 1626a_100000765925_100000173376 [0,2,0,0,0,0|2,0,0]=4 13332 B11R0.46 C=C(C)CNC(=O)CCCSC 240690a_100000765925_100000173376 [0,2,0,0,0,0|2,0,0]=4 13333 B11R0.46 C=C(C)CNC(=O)CCCSC 527a_100000765925_100000173376 [0,2,0,0,0,0|2,0,0]=4 13334 B11R0.46 C=C(C)CNC(=O)CCOCC 11a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 13335 B11R0.46 C=C(C)CNC(=O)CCOCC 1626a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 13336 B11R0.46 C=C(C)CNC(=O)CCOCC 240690a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 13337 B11R0.46 C=C(C)CNC(=O)CCOCC 527a_100000765925_100000749530 [0,2,0,0,0,0|2,0,0]=4 13338 B11R0.46 C=C(C)CNC(=O)CCSCC 11a_100000765925_100000230768 [0,2,0,0,0,0|2,0,0]=4 13339 B11R0.46 C=C(C)CNC(=O)CCSCC 1626a_100000765925_100000230768 [0,2,0,0,0,0|2,0,0]=4 13340 B11R0.46 C=C(C)CNC(=O)CCSCC 240690a_100000765925_100000230768 [0,2,0,0,0,0|2,0,0]=4 13341 B11R0.46 C=C(C)CNC(=O)CCSCC 527a_100000765925_100000230768 [0,2,0,0,0,0|2,0,0]=4 13342 B11R0.46 C=C(C)CNC(=O)COCCC 11a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 13343 B11R0.46 C=C(C)CNC(=O)COCCC 1626a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 13344 B11R0.46 C=C(C)CNC(=O)COCCC 240690a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 13345 B11R0.46 C=C(C)CNC(=O)COCCC 527a_100000765925_100000745993 [0,2,0,0,0,0|2,0,0]=4 13346 B11R0.46 C=C(C)CNC(=O)CSCCC 11a_100000765925_100000217233 [0,2,0,0,0,0|2,0,0]=4 13347 B11R0.46 C=C(C)CNC(=O)CSCCC 1626a_100000765925_100000217233 [0,2,0,0,0,0|2,0,0]=4 13348 B11R0.46 C=C(C)CNC(=O)CSCCC 240690a_100000765925_100000217233 [0,2,0,0,0,0|2,0,0]=4 13349 B11R0.46 C=C(C)CNC(=O)CSCCC 527a_100000765925_100000217233 [0,2,0,0,0,0|2,0,0]=4 13350 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000102301_100000765925 [0,2,0,0,0,0|2,0,0]=4 13351 B11R0.46 C=C(C)CNC(=O)NCCCC 2708a_100000765925_100000102301 [0,2,0,0,0,0|2,0,0]=4 13352 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000102301_100000765925 [0,2,0,0,0,0|2,0,0]=4 13353 B11R0.46 C=C(C)CNC(=O)NCCCC 273464a_100000765925_100000102301 [0,2,0,0,0,0|2,0,0]=4 13354 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000102301_100000765925 [0,2,0,0,0,0|2,0,0]=4 13355 B11R0.46 C=C(C)CNC(=O)NCCCC 512a_100000765925_100000102301 [0,2,0,0,0,0|2,0,0]=4 13356 B11R0.46 C=C(C)COC(C)CCCCC 34a_100000210245_200011218191 [0,2,0,0,0,0|1,0,1]=4 13357 B11R0.46 C=C(C)COC(C)CCCCC 34a_100011215632_100000748629 [0,2,0,0,0,0|1,0,1]=4 13358 B11R0.46 C=C(C)COC(C)CCCCC 7a_100011215632_100000748629 [0,2,0,0,0,0|1,0,1]=4 13359 B11R0.46 C=CCCCC(=O)COC(C)C 1458a_100000745533_100000757094 [0,2,0,0,0,0|0,0,2]=4 13360 B11R0.46 CC(=O)OCC(=O)CCCCF 1458a_100000183556_100000729493 [0,2,0,0,0,0|1,0,1]=4 13361 B11R0.46 CC(=O)OCC(=O)CCCCO 1458a_100000183556_100000210776 [0,2,0,0,0,0|1,0,1]=4 13362 B11R0.46 CC(C)C=CC(=O)CCCCF 1458a_100016268746_100000729493 [0,2,0,0,0,0|2,0,0]=4 13363 B11R0.46 CC(C)C=CC(=O)CCCCO 1458a_100016268746_100000210776 [0,2,0,0,0,0|2,0,0]=4 13364 B11R0.46 CC(C)CCC(=O)CCCCF 1458a_100000181311_100000729493 [0,2,0,0,0,0|2,0,0]=4 13365 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000181311_100000210776 [0,2,0,0,0,0|2,0,0]=4 13366 B11R0.46 CC(C)CCC(=O)CCCCO 1458a_100000695505_100000210312 [0,2,0,0,0,0|2,0,0]=4 13367 B11R0.46 CC(C)CNC(=O)CCCCO 1626a_100000210953_100000695505 [0,2,0,0,0,0|2,0,0]=4 13368 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_100011194448_200025704644 [0,2,0,0,0,0|2,0,0]=4 13369 B11R0.46 CC(C)CNC(=O)CCCS[13CH3] 62a_200025704644_100011194448 [0,2,0,0,0,0|2,0,0]=4 13370 B11R0.46 CC(C)OCC(=O)CCCC#N 1458a_100000745533_100000211468 [0,2,0,0,0,0|1,0,1]=4 13371 B11R0.46 CC(C)OCC(=O)CCCCF 1458a_100000745533_100000729493 [0,2,0,0,0,0|1,0,0]=3 13372 B11R0.46 CC(C)OCC(=O)CCCCO 1458a_100000745533_100000210776 [0,2,0,0,0,0|1,0,0]=3 13373 B11R0.46 CC(C)OCC(=O)NCCCF 11a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 13374 B11R0.46 CC(C)OCC(=O)NCCCF 1626a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 13375 B11R0.46 CC(C)OCC(=O)NCCCF 240690a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 13376 B11R0.46 CC(C)OCC(=O)NCCCF 527a_100015189416_100000745533 [0,2,0,0,0,0|2,0,0]=4 13377 B11R0.46 CC(C)OCC(=O)NCCCO 240690a_100000182051_100000745533 [0,2,0,0,0,0|2,0,0]=4 13378 B11R0.46 CC(C)OCC(=O)NCCCO 527a_100000182051_100000745533 [0,2,0,0,0,0|2,0,0]=4 13379 B11R0.46 CC(C)SCC(=O)CCCCF 1458a_100000241585_100000729493 [0,2,0,0,0,0|1,1,0]=4 13380 B11R0.46 CC(C)SCC(=O)CCCCO 1458a_100000241585_100000210776 [0,2,0,0,0,0|1,1,0]=4 13381 B11R0.46 CC(O)CCC(=O)CCCCO 1458a_100000695505_100012276601 [0,2,0,0,0,0|2,0,0]=4 13382 B11R0.46 CC/C=C\CC(=O)COC(C)C 1458a_100000745533_100103147603 [0,2,0,0,0,0|0,0,2]=4 13383 B11R0.46 CCC#CCC(=O)COC(C)C 1458a_100000745533_100009813939 [0,2,0,0,0,0|0,0,2]=4 13384 B11R0.46 CCCCCC(=NNC(C)C)C 4a_100000741168_100000211708 [0,2,0,0,0,0|2,0,0]=4 13385 B11R0.46 CCCCCC(=O)C=CC(C)C 1458a_100016268746_100000210326 [0,2,0,0,0,0|1,0,0]=3 13386 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100000212188_100000761012 [0,2,0,0,0,0|1,0,1]=4 13387 B11R0.46 CCCCCC(=O)CC=C(C)C 1458a_100011220947_100000210326 [0,2,0,0,0,0|1,0,1]=4 13388 B11R0.46 CCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210326 [0,2,0,0,0,0|1,0,1]=4 13389 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000181311_100000210326 [0,2,0,0,0,0|1,0,0]=3 13390 B11R0.46 CCCCCC(=O)CCC(C)C 1458a_100000212188_100000210312 [0,2,0,0,0,0|1,0,0]=3 13391 B11R0.46 CCCCCC(=O)CCC(C)O 1458a_100000212188_100012276601 [0,2,0,0,0,0|1,0,0]=3 13392 B11R0.46 CCCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210326 [0,2,0,0,0,0|2,0,0]=4 13393 B11R0.46 CCCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210326 [0,2,0,0,0,0|1,0,0]=3 13394 B11R0.46 CCCCCC(=O)CNC(=O)C 1458a_100000194580_100000210326 [0,2,0,0,0,0|1,0,1]=4 13395 B11R0.46 CCCCCC(=O)CNC(C)C 2230a_100138425928_200012276598 [0,2,0,0,0,0|1,0,0]=3 13396 B11R0.46 CCCCCC(=O)CNC(C)C 34a_100138425928_200012276598 [0,2,0,0,0,0|1,0,0]=3 13397 B11R0.46 CCCCCC(=O)COC(=O)C 1458a_100000183556_100000210326 [0,2,0,0,0,0|0,0,1]=3 13398 B11R0.46 CCCCCC(=O)COC(C)C 1458a_100000745533_100000210326 [0,2,0,0,0,0|0,0,0]=2 13399 B11R0.46 CCCCCC(=O)COC(C)C 34a_100000212225_200012276598 [0,2,0,0,0,0|0,0,0]=2 13400 B11R0.46 CCCCCC(=O)COC(F)F 1458a_200000719455_100000210326 [0,2,0,0,0,0|1,0,0]=3 13401 B11R0.46 CCCCCC(=O)CSC(=O)C 1458a_100000049016_100000210326 [0,2,0,0,0,0|0,1,1]=4 13402 B11R0.46 CCCCCC(=O)CSC(C)C 1458a_100000241585_100000210326 [0,2,0,0,0,0|0,1,0]=3 13403 B11R0.46 CCCCCC(=O)CSC(C)C 62a_100000210206_200012276598 [0,2,0,0,0,0|0,1,0]=3 13404 B11R0.46 CCCCCC(=O)CSC(C)C 62a_200012276598_100000210206 [0,2,0,0,0,0|0,1,0]=3 13405 B11R0.46 CCCCCC(=O)CSC(F)F 1458a_114828291038_100000210326 [0,2,0,0,0,0|1,1,0]=4 13406 B11R0.46 CCCCCC(=O)NCC(=O)N 11a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13407 B11R0.46 CCCCCC(=O)NCC(=O)N 240690a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13408 B11R0.46 CCCCCC(=O)NCC(=O)N 527a_100000711301_100000212188 [0,2,0,0,0,0|1,0,1]=4 13409 B11R0.46 CCCCCC(=O)NCC(C)C 11a_100000210953_100000212188 [0,2,0,0,0,0|1,0,0]=3 13410 B11R0.46 CCCCCC(=O)NCC(C)C 1626a_100000210953_100000212188 [0,2,0,0,0,0|1,0,0]=3 13411 B11R0.46 CCCCCC(=O)NCC(C)C 240690a_100000210953_100000212188 [0,2,0,0,0,0|1,0,0]=3 13412 B11R0.46 CCCCCC(=O)NCC(C)C 527a_100000210953_100000212188 [0,2,0,0,0,0|1,0,0]=3 13413 B11R0.46 CCCCCC(=O)NCC(C)O 11a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 13414 B11R0.46 CCCCCC(=O)NCC(C)O 240690a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 13415 B11R0.46 CCCCCC(=O)NCC(C)O 527a_100000210904_100000212188 [0,2,0,0,0,0|1,0,0]=3 13416 B11R0.46 CCCCCC(=O)NCC(F)F 11a_100000765723_100000212188 [0,2,0,0,0,0|1,0,0]=3 13417 B11R0.46 CCCCCC(=O)NCC(F)F 1626a_100000765723_100000212188 [0,2,0,0,0,0|1,0,0]=3 13418 B11R0.46 CCCCCC(=O)NCC(F)F 240690a_100000765723_100000212188 [0,2,0,0,0,0|1,0,0]=3 13419 B11R0.46 CCCCCC(=O)NCC(F)F 527a_100000765723_100000212188 [0,2,0,0,0,0|1,0,0]=3 13420 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189765_100000212188 [0,2,0,0,0,0|1,0,1]=4 13421 B11R0.46 CCCCCC(=O)NNC(=O)C 22a_100000189784_100000070787 [0,2,0,0,0,0|1,0,1]=4 13422 B11R0.46 CCCCCC(=O)NNC(C)C 22a_100000741168_100000212188 [0,2,0,0,0,0|1,0,0]=3 13423 B11R0.46 CCCCCC(C)OCC(=O)C 34a_100000211253_200011218191 [0,2,0,0,0,0|1,0,1]=4 13424 B11R0.46 CCCCCC(C)OCC(C)Br 34a_100012180447_200011218191 [0,2,0,0,0,0|1,0,1]=4 13425 B11R0.46 CCCCCC(C)OCC(C)C 34a_100000210257_200011218191 [0,2,0,0,0,0|1,0,1]=4 13426 B11R0.46 CCCCCC(C)OCC(C)C 34a_100011215632_100000210624 [0,2,0,0,0,0|1,0,1]=4 13427 B11R0.46 CCCCCC(C)OCC(C)C 7a_100011215632_100000210760 [0,2,0,0,0,0|1,0,1]=4 13428 B11R0.46 CCCCCC(C)OCC(C)F 34a_100015925927_200011218191 [0,2,0,0,0,0|1,0,1]=4 13429 B11R0.46 CCCCCC(C)OCC(C)O 34a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 13430 B11R0.46 CCCCCC(C)OCC(C)O 7a_100011215632_100011218427 [0,2,0,0,0,0|1,0,1]=4 13431 B11R0.46 CCCCCC(C)OCC(F)F 34a_100000743014_200011218191 [0,2,0,0,0,0|1,0,1]=4 13432 B11R0.46 CCCCCC(C)OCC(F)F 34a_100011215632_100011934356 [0,2,0,0,0,0|1,0,1]=4 13433 B11R0.46 CCCCCC(C)OCC(F)F 7a_100011215632_100011934356 [0,2,0,0,0,0|1,0,1]=4 13434 B11R0.46 CCCCCC(C)OC[C@@H](C)Cl 34a_100016084084_200011218191 [0,2,0,0,0,0|1,0,1]=4 13435 B11R0.46 CCCCCC(C)OC[C@@H](C)N 34a_100000737577_200011218191 [0,2,0,0,0,0|1,0,1]=4 13436 B11R0.46 CCCCCC(C)OC[C@@H](C)O 34a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 13437 B11R0.46 CCCCCC(C)OC[C@@H](C)O 7a_100011215632_100009817552 [0,2,0,0,0,0|1,0,1]=4 13438 B11R0.46 CCCCCN(C)COC(C)C 2230a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 13439 B11R0.46 CCCCCN(C)COC(C)C 269982a_100000223495_100000709892 [0,2,0,0,0,0|2,0,0]=4 13440 B11R0.46 CCCCNC(=O)C=CC(C)C 11a_100000102301_100016268746 [0,2,0,0,0,0|2,0,0]=4 13441 B11R0.46 CCCCNC(=O)C=CC(C)C 1626a_100000102301_100016268746 [0,2,0,0,0,0|2,0,0]=4 13442 B11R0.46 CCCCNC(=O)C=CC(C)C 240690a_100000102301_100016268746 [0,2,0,0,0,0|2,0,0]=4 13443 B11R0.46 CCCCNC(=O)CCC(C)C 11a_100000102301_100000181311 [0,2,0,0,0,0|2,0,0]=4 13444 B11R0.46 CCCCNC(=O)CCC(C)C 1626a_100000102301_100000181311 [0,2,0,0,0,0|2,0,0]=4 13445 B11R0.46 CCCCNC(=O)CCC(C)C 240690a_100000102301_100000181311 [0,2,0,0,0,0|2,0,0]=4 13446 B11R0.46 CCCCNC(=O)CCC(C)C 527a_100000102301_100000181311 [0,2,0,0,0,0|2,0,0]=4 13447 B11R0.46 CCCCNC(=O)CCC(C)O 1626a_100000102301_100000718519 [0,2,0,0,0,0|2,0,0]=4 13448 B11R0.46 CCCCNC(=O)CCN(C)C 11a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 13449 B11R0.46 CCCCNC(=O)CCN(C)C 240690a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 13450 B11R0.46 CCCCNC(=O)CCN(C)C 527a_100000102301_100000689311 [0,2,0,0,0,0|2,0,0]=4 13451 B11R0.46 CCCCNC(=O)CC[S+](C)C 11a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 13452 B11R0.46 CCCCNC(=O)CC[S+](C)C 1626a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 13453 B11R0.46 CCCCNC(=O)CC[S+](C)C 240690a_100000102301_100009452791 [0,2,0,0,0,0|2,0,0]=4 13454 B11R0.46 CCCCNC(=O)CNC(C)C 2230a_100138425928_100000182744 [0,2,0,0,0,0|2,0,0]=4 13455 B11R0.46 CCCCNC(=O)CNC(C)C 34a_100138425928_100000182744 [0,2,0,0,0,0|2,0,0]=4 13456 B11R0.46 CCCCNC(=O)COC(=O)C 1626a_100000102301_100000183556 [0,2,0,0,0,0|1,0,1]=4 13457 B11R0.46 CCCCNC(=O)COC(=O)C 240690a_100000102301_100000183556 [0,2,0,0,0,0|1,0,1]=4 13458 B11R0.46 CCCCNC(=O)COC(=O)C 527a_100000102301_100000183556 [0,2,0,0,0,0|1,0,1]=4 13459 B11R0.46 CCCCNC(=O)COC(C)C 11a_100000102301_100000745533 [0,2,0,0,0,0|1,0,0]=3 13460 B11R0.46 CCCCNC(=O)COC(C)C 1626a_100000102301_100000745533 [0,2,0,0,0,0|1,0,0]=3 13461 B11R0.46 CCCCNC(=O)COC(C)C 240690a_100000102301_100000745533 [0,2,0,0,0,0|1,0,0]=3 13462 B11R0.46 CCCCNC(=O)COC(C)C 34a_100000212225_100000182744 [0,2,0,0,0,0|1,0,0]=3 13463 B11R0.46 CCCCNC(=O)COC(C)C 527a_100000102301_100000745533 [0,2,0,0,0,0|1,0,0]=3 13464 B11R0.46 CCCCNC(=O)COC(F)F 11a_100000102301_200000719455 [0,2,0,0,0,0|2,0,0]=4 13465 B11R0.46 CCCCNC(=O)COC(F)F 1626a_100000102301_200000719455 [0,2,0,0,0,0|2,0,0]=4 13466 B11R0.46 CCCCNC(=O)COC(F)F 240690a_100000102301_200000719455 [0,2,0,0,0,0|2,0,0]=4 13467 B11R0.46 CCCCNC(=O)COC(F)F 527a_100000102301_200000719455 [0,2,0,0,0,0|2,0,0]=4 13468 B11R0.46 CCCCNC(=O)CSC(C)C 11a_100000102301_100000241585 [0,2,0,0,0,0|1,1,0]=4 13469 B11R0.46 CCCCNC(=O)CSC(C)C 1626a_100000102301_100000241585 [0,2,0,0,0,0|1,1,0]=4 13470 B11R0.46 CCCCNC(=O)CSC(C)C 240690a_100000102301_100000241585 [0,2,0,0,0,0|1,1,0]=4 13471 B11R0.46 CCCCNC(=O)CSC(C)C 527a_100000102301_100000241585 [0,2,0,0,0,0|1,1,0]=4 13472 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000182744_100000210206 [0,2,0,0,0,0|1,1,0]=4 13473 B11R0.46 CCCCNC(=O)CSC(C)C 62a_100000210206_100000182744 [0,2,0,0,0,0|1,1,0]=4 13474 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 13475 B11R0.46 CCCCNC(=O)NCC(C)C 2708a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 13476 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 13477 B11R0.46 CCCCNC(=O)NCC(C)C 273464a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 13478 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000102301_100000210953 [0,2,0,0,0,0|2,0,0]=4 13479 B11R0.46 CCCCNC(=O)NCC(C)C 512a_100000210953_100000102301 [0,2,0,0,0,0|2,0,0]=4 13480 B11R0.46 CCCCNC(=O)NCC(C)O 2708a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 13481 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 13482 B11R0.46 CCCCNC(=O)NCC(C)O 273464a_100000210904_100000102301 [0,2,0,0,0,0|2,0,0]=4 13483 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000102301_100000210904 [0,2,0,0,0,0|2,0,0]=4 13484 B11R0.46 CCCCNC(=O)NCC(C)O 512a_100000210904_100000102301 [0,2,0,0,0,0|2,0,0]=4 13485 B11R0.46 CCCCNC(=O)NCC(F)F 2708a_100000102301_100000765723 [0,2,0,0,0,0|2,0,0]=4 13486 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000102301_100000765723 [0,2,0,0,0,0|2,0,0]=4 13487 B11R0.46 CCCCNC(=O)NCC(F)F 273464a_100000765723_100000102301 [0,2,0,0,0,0|2,0,0]=4 13488 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000102301_100000765723 [0,2,0,0,0,0|2,0,0]=4 13489 B11R0.46 CCCCNC(=O)NCC(F)F 512a_100000765723_100000102301 [0,2,0,0,0,0|2,0,0]=4 13490 B11R0.46 CCCCNC(=O)NNC(C)C 273464a_100000102301_100000741168 [0,2,0,0,0,0|2,0,0]=4 13491 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000102301_100000741168 [0,2,0,0,0,0|2,0,0]=4 13492 B11R0.46 CCCCNC(=O)NNC(C)C 512a_100000741168_100000102301 [0,2,0,0,0,0|2,0,0]=4 13493 B11R0.46 CCCCOC(=O)CNC(C)C 2230a_100138425928_100000211628 [0,2,0,0,0,0|2,0,0]=4 13494 B11R0.46 CCCCOC(=O)CNC(C)C 34a_100138425928_100000211628 [0,2,0,0,0,0|2,0,0]=4 13495 B11R0.46 CCCCOC(=O)COC(C)C 34a_100000212225_100000211628 [0,2,0,0,0,0|1,0,0]=3 13496 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000210206_100000211628 [0,2,0,0,0,0|1,1,0]=4 13497 B11R0.46 CCCCOC(=O)CSC(C)C 62a_100000211628_100000210206 [0,2,0,0,0,0|1,1,0]=4 13498 B11R0.46 CCCNNC(=O)COC(C)C 22a_100000740057_100000745533 [0,2,0,0,0,0|2,0,0]=4 13499 B11R0.46 CCCOCC(=O)CCC(C)C 1458a_100000745993_100000210312 [0,2,0,0,0,0|2,0,0]=4 13500 B11R0.46 CCCOCC(=O)CCC(C)O 1458a_100000745993_100012276601 [0,2,0,0,0,0|2,0,0]=4 13501 B11R0.46 CCCOCC(=O)COC(=O)C 34a_100000210258_100000036994 [0,2,0,0,0,0|1,0,1]=4 13502 B11R0.46 CCCOCC(=O)NCC(C)C 11a_100000210953_100000745993 [0,2,0,0,0,0|2,0,0]=4 13503 B11R0.46 CCCOCC(=O)NCC(C)C 1626a_100000210953_100000745993 [0,2,0,0,0,0|2,0,0]=4 13504 B11R0.46 CCCOCC(=O)NCC(C)C 240690a_100000210953_100000745993 [0,2,0,0,0,0|2,0,0]=4 13505 B11R0.46 CCCOCC(=O)NCC(C)C 34a_100000210258_100000183291 [0,2,0,0,0,0|2,0,0]=4 13506 B11R0.46 CCCOCC(=O)NCC(C)C 527a_100000210953_100000745993 [0,2,0,0,0,0|2,0,0]=4 13507 B11R0.46 CCCOCC(=O)NCC(C)O 11a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 13508 B11R0.46 CCCOCC(=O)NCC(C)O 240690a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 13509 B11R0.46 CCCOCC(=O)NCC(C)O 527a_100000210904_100000745993 [0,2,0,0,0,0|2,0,0]=4 13510 B11R0.46 CCCOCC(=O)NCC(F)F 11a_100000765723_100000745993 [0,2,0,0,0,0|2,0,0]=4 13511 B11R0.46 CCCOCC(=O)NCC(F)F 1626a_100000765723_100000745993 [0,2,0,0,0,0|2,0,0]=4 13512 B11R0.46 CCCOCC(=O)NCC(F)F 240690a_100000765723_100000745993 [0,2,0,0,0,0|2,0,0]=4 13513 B11R0.46 CCCOCC(=O)NCC(F)F 527a_100000765723_100000745993 [0,2,0,0,0,0|2,0,0]=4 13514 B11R0.46 CCCOCC(=O)NNC(C)C 22a_100000741168_100000745993 [0,2,0,0,0,0|2,0,0]=4 13515 B11R0.46 CCCSCC(=O)CCC(C)C 1458a_100000217233_100000210312 [0,2,0,0,0,0|2,0,0]=4 13516 B11R0.46 CCCSCC(=O)CCC(C)O 1458a_100000217233_100012276601 [0,2,0,0,0,0|2,0,0]=4 13517 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000036994_100000210303 [0,2,0,0,0,0|1,0,1]=4 13518 B11R0.46 CCCSCC(=O)COC(=O)C 62a_100000210303_100000036994 [0,2,0,0,0,0|1,0,1]=4 13519 B11R0.46 CCCSCC(=O)NCC(C)C 11a_100000210953_100000217233 [0,2,0,0,0,0|2,0,0]=4 13520 B11R0.46 CCCSCC(=O)NCC(C)C 1626a_100000210953_100000217233 [0,2,0,0,0,0|2,0,0]=4 13521 B11R0.46 CCCSCC(=O)NCC(C)C 240690a_100000210953_100000217233 [0,2,0,0,0,0|2,0,0]=4 13522 B11R0.46 CCCSCC(=O)NCC(C)C 527a_100000210953_100000217233 [0,2,0,0,0,0|2,0,0]=4 13523 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000183291_100000210303 [0,2,0,0,0,0|2,0,0]=4 13524 B11R0.46 CCCSCC(=O)NCC(C)C 62a_100000210303_100000183291 [0,2,0,0,0,0|2,0,0]=4 13525 B11R0.46 CCCSCC(=O)NCC(C)O 11a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 13526 B11R0.46 CCCSCC(=O)NCC(C)O 240690a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 13527 B11R0.46 CCCSCC(=O)NCC(C)O 527a_100000210904_100000217233 [0,2,0,0,0,0|2,0,0]=4 13528 B11R0.46 CCCSCC(=O)NCC(F)F 11a_100000765723_100000217233 [0,2,0,0,0,0|2,0,0]=4 13529 B11R0.46 CCCSCC(=O)NCC(F)F 1626a_100000765723_100000217233 [0,2,0,0,0,0|2,0,0]=4 13530 B11R0.46 CCCSCC(=O)NCC(F)F 240690a_100000765723_100000217233 [0,2,0,0,0,0|2,0,0]=4 13531 B11R0.46 CCCSCC(=O)NCC(F)F 527a_100000765723_100000217233 [0,2,0,0,0,0|2,0,0]=4 13532 B11R0.46 CCCSCC(=O)NNC(C)C 22a_100000741168_100000217233 [0,2,0,0,0,0|2,0,0]=4 13533 B11R0.46 CCOCCC(=O)C=CC(C)C 1458a_100016268746_100011215890 [0,2,0,0,0,0|2,0,0]=4 13534 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000181311_100011215890 [0,2,0,0,0,0|2,0,0]=4 13535 B11R0.46 CCOCCC(=O)CCC(C)C 1458a_100000749530_100000210312 [0,2,0,0,0,0|2,0,0]=4 13536 B11R0.46 CCOCCC(=O)CCC(C)O 1458a_100000749530_100012276601 [0,2,0,0,0,0|2,0,0]=4 13537 B11R0.46 CCOCCC(=O)CC[S+](C)C 1458a_100009452791_100011215890 [0,2,0,0,0,0|2,0,0]=4 13538 B11R0.46 CCOCCC(=O)COC(=O)C 1458a_100000183556_100011215890 [0,2,0,0,0,0|1,0,1]=4 13539 B11R0.46 CCOCCC(=O)COC(C)C 1458a_100000745533_100011215890 [0,2,0,0,0,0|1,0,0]=3 13540 B11R0.46 CCOCCC(=O)COC(F)F 1458a_200000719455_100011215890 [0,2,0,0,0,0|2,0,0]=4 13541 B11R0.46 CCOCCC(=O)CSC(C)C 1458a_100000241585_100011215890 [0,2,0,0,0,0|1,1,0]=4 13542 B11R0.46 CCOCCC(=O)NCC(C)C 11a_100000210953_100000749530 [0,2,0,0,0,0|2,0,0]=4 13543 B11R0.46 CCOCCC(=O)NCC(C)C 1626a_100000210953_100000749530 [0,2,0,0,0,0|2,0,0]=4 13544 B11R0.46 CCOCCC(=O)NCC(C)C 240690a_100000210953_100000749530 [0,2,0,0,0,0|2,0,0]=4 13545 B11R0.46 CCOCCC(=O)NCC(C)C 527a_100000210953_100000749530 [0,2,0,0,0,0|2,0,0]=4 13546 B11R0.46 CCOCCC(=O)NCC(C)O 11a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 13547 B11R0.46 CCOCCC(=O)NCC(C)O 240690a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 13548 B11R0.46 CCOCCC(=O)NCC(C)O 527a_100000210904_100000749530 [0,2,0,0,0,0|2,0,0]=4 13549 B11R0.46 CCOCCC(=O)NCC(F)F 11a_100000765723_100000749530 [0,2,0,0,0,0|2,0,0]=4 13550 B11R0.46 CCOCCC(=O)NCC(F)F 1626a_100000765723_100000749530 [0,2,0,0,0,0|2,0,0]=4 13551 B11R0.46 CCOCCC(=O)NCC(F)F 240690a_100000765723_100000749530 [0,2,0,0,0,0|2,0,0]=4 13552 B11R0.46 CCOCCC(=O)NCC(F)F 527a_100000765723_100000749530 [0,2,0,0,0,0|2,0,0]=4 13553 B11R0.46 CCOCCC(=O)NNC(C)C 22a_100000741168_100000749530 [0,2,0,0,0,0|2,0,0]=4 13554 B11R0.46 CCSCCC(=O)C=CC(C)C 1458a_100016268746_100000757381 [0,2,0,0,0,0|2,0,0]=4 13555 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000181311_100000757381 [0,2,0,0,0,0|2,0,0]=4 13556 B11R0.46 CCSCCC(=O)CCC(C)C 1458a_100000230768_100000210312 [0,2,0,0,0,0|2,0,0]=4 13557 B11R0.46 CCSCCC(=O)CCC(C)O 1458a_100000230768_100012276601 [0,2,0,0,0,0|2,0,0]=4 13558 B11R0.46 CCSCCC(=O)CC[S+](C)C 1458a_100009452791_100000757381 [0,2,0,0,0,0|2,0,0]=4 13559 B11R0.46 CCSCCC(=O)COC(=O)C 1458a_100000183556_100000757381 [0,2,0,0,0,0|1,0,1]=4 13560 B11R0.46 CCSCCC(=O)COC(C)C 1458a_100000745533_100000757381 [0,2,0,0,0,0|1,0,0]=3 13561 B11R0.46 CCSCCC(=O)COC(F)F 1458a_200000719455_100000757381 [0,2,0,0,0,0|2,0,0]=4 13562 B11R0.46 CCSCCC(=O)CSC(C)C 1458a_100000241585_100000757381 [0,2,0,0,0,0|1,1,0]=4 13563 B11R0.46 CCSCCC(=O)NCC(C)C 11a_100000210953_100000230768 [0,2,0,0,0,0|2,0,0]=4 13564 B11R0.46 CCSCCC(=O)NCC(C)C 1626a_100000210953_100000230768 [0,2,0,0,0,0|2,0,0]=4 13565 B11R0.46 CCSCCC(=O)NCC(C)C 240690a_100000210953_100000230768 [0,2,0,0,0,0|2,0,0]=4 13566 B11R0.46 CCSCCC(=O)NCC(C)C 527a_100000210953_100000230768 [0,2,0,0,0,0|2,0,0]=4 13567 B11R0.46 CCSCCC(=O)NCC(C)O 11a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 13568 B11R0.46 CCSCCC(=O)NCC(C)O 240690a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 13569 B11R0.46 CCSCCC(=O)NCC(C)O 527a_100000210904_100000230768 [0,2,0,0,0,0|2,0,0]=4 13570 B11R0.46 CCSCCC(=O)NCC(F)F 11a_100000765723_100000230768 [0,2,0,0,0,0|2,0,0]=4 13571 B11R0.46 CCSCCC(=O)NCC(F)F 1626a_100000765723_100000230768 [0,2,0,0,0,0|2,0,0]=4 13572 B11R0.46 CCSCCC(=O)NCC(F)F 240690a_100000765723_100000230768 [0,2,0,0,0,0|2,0,0]=4 13573 B11R0.46 CCSCCC(=O)NCC(F)F 527a_100000765723_100000230768 [0,2,0,0,0,0|2,0,0]=4 13574 B11R0.46 CCSCCC(=O)NNC(C)C 22a_100000741168_100000230768 [0,2,0,0,0,0|2,0,0]=4 13575 B11R0.46 CNCCCC(=O)NCC(C)C 2230a_106832991635_100011194448 [0,2,0,0,0,0|2,0,0]=4 13576 B11R0.46 CNCCCC(=O)NCC(C)C 34a_100102657272_100011194448 [0,2,0,0,0,0|2,0,0]=4 13577 B11R0.46 CNCCCC(=O)NCC(C)C 7a_106832991635_100011194448 [0,2,0,0,0,0|2,0,0]=4 13578 B11R0.46 COCCCC(=O)C=CC(C)C 1458a_100016268746_100000740836 [0,2,0,0,0,0|2,0,0]=4 13579 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000181311_100000740836 [0,2,0,0,0,0|2,0,0]=4 13580 B11R0.46 COCCCC(=O)CCC(C)C 1458a_100000741012_100000210312 [0,2,0,0,0,0|2,0,0]=4 13581 B11R0.46 COCCCC(=O)CCC(C)O 1458a_100000741012_100012276601 [0,2,0,0,0,0|2,0,0]=4 13582 B11R0.46 COCCCC(=O)CC[S+](C)C 1458a_100009452791_100000740836 [0,2,0,0,0,0|2,0,0]=4 13583 B11R0.46 COCCCC(=O)COC(=O)C 1458a_100000183556_100000740836 [0,2,0,0,0,0|1,0,1]=4 13584 B11R0.46 COCCCC(=O)COC(C)C 1458a_100000745533_100000740836 [0,2,0,0,0,0|1,0,0]=3 13585 B11R0.46 COCCCC(=O)COC(F)F 1458a_200000719455_100000740836 [0,2,0,0,0,0|2,0,0]=4 13586 B11R0.46 COCCCC(=O)CSC(C)C 1458a_100000241585_100000740836 [0,2,0,0,0,0|1,1,0]=4 13587 B11R0.46 COCCCC(=O)NCC(C)C 11a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 13588 B11R0.46 COCCCC(=O)NCC(C)C 1626a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 13589 B11R0.46 COCCCC(=O)NCC(C)C 240690a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 13590 B11R0.46 COCCCC(=O)NCC(C)C 34a_100138415774_100011194448 [0,2,0,0,0,0|2,0,0]=4 13591 B11R0.46 COCCCC(=O)NCC(C)C 527a_100000210953_100000741012 [0,2,0,0,0,0|2,0,0]=4 13592 B11R0.46 COCCCC(=O)NCC(C)O 11a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 13593 B11R0.46 COCCCC(=O)NCC(C)O 240690a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 13594 B11R0.46 COCCCC(=O)NCC(C)O 527a_100000210904_100000741012 [0,2,0,0,0,0|2,0,0]=4 13595 B11R0.46 COCCCC(=O)NCC(F)F 11a_100000765723_100000741012 [0,2,0,0,0,0|2,0,0]=4 13596 B11R0.46 COCCCC(=O)NCC(F)F 1626a_100000765723_100000741012 [0,2,0,0,0,0|2,0,0]=4 13597 B11R0.46 COCCCC(=O)NCC(F)F 240690a_100000765723_100000741012 [0,2,0,0,0,0|2,0,0]=4 13598 B11R0.46 COCCCC(=O)NCC(F)F 527a_100000765723_100000741012 [0,2,0,0,0,0|2,0,0]=4 13599 B11R0.46 COCCCC(=O)NNC(C)C 22a_100000741168_100000741012 [0,2,0,0,0,0|2,0,0]=4 13600 B11R0.46 COCCNC(=O)COC(C)C 1626a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 13601 B11R0.46 COCCNC(=O)COC(C)C 240690a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 13602 B11R0.46 COCCNC(=O)COC(C)C 34a_100000212225_100000183275 [0,2,0,0,0,0|2,0,0]=4 13603 B11R0.46 COCCNC(=O)COC(C)C 527a_100000209980_100000745533 [0,2,0,0,0,0|2,0,0]=4 13604 B11R0.46 COCCOC(=O)COC(C)C 34a_100000212225_200000040189 [0,2,0,0,0,0|2,0,0]=4 13605 B11R0.46 CSCCCC(=O)CCC(C)C 1458a_100000173376_100000210312 [0,2,0,0,0,0|2,0,0]=4 13606 B11R0.46 CSCCCC(=O)CCC(C)O 1458a_100000173376_100012276601 [0,2,0,0,0,0|2,0,0]=4 13607 B11R0.46 CSCCCC(=O)NCC(C)C 11a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 13608 B11R0.46 CSCCCC(=O)NCC(C)C 1626a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 13609 B11R0.46 CSCCCC(=O)NCC(C)C 240690a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 13610 B11R0.46 CSCCCC(=O)NCC(C)C 527a_100000210953_100000173376 [0,2,0,0,0,0|2,0,0]=4 13611 B11R0.46 CSCCCC(=O)NCC(C)C 62a_100011194448_200000210301 [0,2,0,0,0,0|2,0,0]=4 13612 B11R0.46 CSCCCC(=O)NCC(C)C 62a_200000210301_100011194448 [0,2,0,0,0,0|2,0,0]=4 13613 B11R0.46 CSCCCC(=O)NCC(C)O 11a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 13614 B11R0.46 CSCCCC(=O)NCC(C)O 240690a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 13615 B11R0.46 CSCCCC(=O)NCC(C)O 527a_100000210904_100000173376 [0,2,0,0,0,0|2,0,0]=4 13616 B11R0.46 CSCCCC(=O)NCC(F)F 11a_100000765723_100000173376 [0,2,0,0,0,0|2,0,0]=4 13617 B11R0.46 CSCCCC(=O)NCC(F)F 1626a_100000765723_100000173376 [0,2,0,0,0,0|2,0,0]=4 13618 B11R0.46 CSCCCC(=O)NCC(F)F 240690a_100000765723_100000173376 [0,2,0,0,0,0|2,0,0]=4 13619 B11R0.46 CSCCCC(=O)NCC(F)F 527a_100000765723_100000173376 [0,2,0,0,0,0|2,0,0]=4 13620 B11R0.46 CSCCCC(=O)NNC(C)C 22a_100000741168_100000173376 [0,2,0,0,0,0|2,0,0]=4 13621 B11R0.46 CSCCNC(=O)COC(C)C 11a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 13622 B11R0.46 CSCCNC(=O)COC(C)C 1626a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 13623 B11R0.46 CSCCNC(=O)COC(C)C 240690a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 13624 B11R0.46 CSCCNC(=O)COC(C)C 527a_100020590264_100000745533 [0,2,0,0,0,0|2,0,0]=4 13625 B11R0.46 C[S+](C)CCC(=O)CCCCF 1458a_100009452791_100000729493 [0,2,0,0,0,0|2,0,0]=4 13626 B11R0.46 C[S+](C)CCC(=O)CCCCO 1458a_100009452791_100000210776 [0,2,0,0,0,0|2,0,0]=4 13627 B11R0.46 O=C(CCCCF)COC(F)F 1458a_200000719455_100000729493 [0,2,0,0,0,0|2,0,0]=4 13628 B11R0.46 O=C(CCCCO)COC(F)F 1458a_200000719455_100000210776 [0,2,0,0,0,0|2,0,0]=4 13629 B11R0.46 O=C(CCCCO)NCC(F)F 1626a_100000765723_100000695505 [0,2,0,0,0,0|2,0,0]=4 13630 B11R0.70 C#CCCC(=O)CCC(C)CC 1458a_100000701222_100000753159 [0,2,0,0,0,0|1,0,1]=4 13631 B11R0.70 C#CCNC(=O)CCC(C)CC 11a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 13632 B11R0.70 C#CCNC(=O)CCC(C)CC 1626a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 13633 B11R0.70 C#CCNC(=O)CCC(C)CC 240690a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 13634 B11R0.70 C#CCNC(=O)CCC(C)CC 527a_100000212058_100000701222 [0,2,0,0,0,0|1,0,1]=4 13635 B11R0.70 C#CCNC(=O)CCC(O)CC 1626a_100000212058_203496584001 [0,2,0,0,0,0|1,0,1]=4 13636 B11R0.70 C#CCNC(=O)CCC(O)CC 240690a_100000212058_203496584001 [0,2,0,0,0,0|1,0,1]=4 13637 B11R0.70 C/C=C/CC(=O)CCC(C)CC 1458a_100000701222_100102629194 [0,2,0,0,0,0|1,0,1]=4 13638 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000042856_100000758301 [0,2,0,0,0,0|2,0,0]=4 13639 B11R0.70 C=C(CSC(C)CC)OCOC 62a_100000758301_100000042856 [0,2,0,0,0,0|2,0,0]=4 13640 B11R0.70 C=CCCC(=O)CCC(C)CC 1458a_100000701222_100000754431 [0,2,0,0,0,0|1,0,1]=4 13641 B11R0.70 C=CCNC(=O)CCC(C)CC 1626a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 13642 B11R0.70 C=CCNC(=O)CCC(C)CC 240690a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 13643 B11R0.70 C=CCNC(=O)CCC(C)CC 527a_100020586998_100000701222 [0,2,0,0,0,0|1,0,1]=4 13644 B11R0.70 C=CCNC(=O)CCC(O)CC 1626a_100020586998_203496584001 [0,2,0,0,0,0|1,0,1]=4 13645 B11R0.70 C=CCNC(=O)CCC(O)CC 240690a_100020586998_203496584001 [0,2,0,0,0,0|1,0,1]=4 13646 B11R0.70 C=CCOC(=O)CNC(C)CC 2230a_100000209981_100000033060 [0,2,0,0,0,0|1,0,1]=4 13647 B11R0.70 C=CCOC(=O)COC(C)CC 7a_100000210228_100000033060 [0,2,0,0,0,0|1,0,1]=4 13648 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000033060_100000758301 [0,2,0,0,0,0|1,0,1]=4 13649 B11R0.70 C=CCOC(=O)CSC(C)CC 62a_100000758301_100000033060 [0,2,0,0,0,0|1,0,1]=4 13650 B11R0.70 CC#CCC(=O)CCC(C)CC 1458a_100000701222_100000748600 [0,2,0,0,0,0|1,0,1]=4 13651 B11R0.70 CC=CCC(=O)CCC(C)CC 1458a_100000701222_100000070051 [0,2,0,0,0,0|1,0,1]=4 13652 B11R0.70 CCC(C)CCC(=O)CCC#N 1458a_100000701222_100011215226 [0,2,0,0,0,0|1,0,1]=4 13653 B11R0.70 CCC(C)CCC(=O)CCCF 1458a_100000701222_100011934791 [0,2,0,0,0,0|1,0,0]=3 13654 B11R0.70 CCC(C)CCC(=O)CCCO 1458a_100000701222_100011215043 [0,2,0,0,0,0|1,0,0]=3 13655 B11R0.70 CCC(C)CCC(=O)CCOC 1458a_100000701222_100000233755 [0,2,0,0,0,0|1,0,0]=3 13656 B11R0.70 CCC(C)CCC(=O)CCSC 1458a_100000701222_100000751147 [0,2,0,0,0,0|1,0,0]=3 13657 B11R0.70 CCC(C)CCC(=O)NCC#N 1626a_100000734998_100000701222 [0,2,0,0,0,0|1,0,1]=4 13658 B11R0.70 CCC(C)CCC(=O)NCC#N 527a_100000734998_100000701222 [0,2,0,0,0,0|1,0,1]=4 13659 B11R0.70 CCC(C)CCC(=O)NCCF 11a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 13660 B11R0.70 CCC(C)CCC(=O)NCCF 1626a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 13661 B11R0.70 CCC(C)CCC(=O)NCCF 240690a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 13662 B11R0.70 CCC(C)CCC(=O)NCCF 527a_100000724931_100000701222 [0,2,0,0,0,0|1,0,0]=3 13663 B11R0.70 CCC(C)CCC(=O)NCCO 240690a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 13664 B11R0.70 CCC(C)CCC(=O)NCCO 527a_100000210304_100000701222 [0,2,0,0,0,0|1,0,0]=3 13665 B11R0.70 CCC(C)CCC(C)OCCF 7a_200011216552_100011217306 [0,2,0,0,0,0|1,0,1]=4 13666 B11R0.70 CCC(C)CCC(C)OCCO 7a_200011216552_100000211926 [0,2,0,0,0,0|1,0,1]=4 13667 B11R0.70 CCC(C)CNC(=O)CCOC 11a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 13668 B11R0.70 CCC(C)CNC(=O)CCOC 1626a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 13669 B11R0.70 CCC(C)CNC(=O)CCOC 240690a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 13670 B11R0.70 CCC(C)CNC(=O)CCOC 527a_100020588543_100000749529 [0,2,0,0,0,0|2,0,0]=4 13671 B11R0.70 CCC(C)CNC(=O)CCSC 11a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 13672 B11R0.70 CCC(C)CNC(=O)CCSC 1626a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 13673 B11R0.70 CCC(C)CNC(=O)CCSC 240690a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 13674 B11R0.70 CCC(C)CNC(=O)CCSC 527a_100020588543_100000174002 [0,2,0,0,0,0|2,0,0]=4 13675 B11R0.70 CCC(C)CNC(=O)NCCF 2708a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 13676 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100000724931_100020588543 [0,2,0,0,0,0|2,0,0]=4 13677 B11R0.70 CCC(C)CNC(=O)NCCF 273464a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 13678 B11R0.70 CCC(C)CNC(=O)NCCF 512a_100020588543_100000724931 [0,2,0,0,0,0|2,0,0]=4 13679 B11R0.70 CCC(C)CNC(=O)NCCO 2708a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 13680 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100000210304_100020588543 [0,2,0,0,0,0|2,0,0]=4 13681 B11R0.70 CCC(C)CNC(=O)NCCO 273464a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 13682 B11R0.70 CCC(C)CNC(=O)NCCO 512a_100020588543_100000210304 [0,2,0,0,0,0|2,0,0]=4 13683 B11R0.70 CCC(C)NCC(=O)NCCF 2230a_100000725713_100000758301 [0,2,0,0,0,0|2,0,0]=4 13684 B11R0.70 CCC(O)CCC(=O)NCC#N 1626a_100000734998_203496584001 [0,2,0,0,0,0|1,0,1]=4 13685 B11R0.70 CCC(O)CCC(=O)NCCF 1626a_100000724931_203496584001 [0,2,0,0,0,0|1,0,0]=3 13686 B11R0.70 CCC(O)CCC(=O)NCCF 240690a_100000724931_203496584001 [0,2,0,0,0,0|1,0,0]=3 13687 B11R0.70 CCC(O)CCC(=O)NCCO 240690a_100000210304_203496584001 [0,2,0,0,0,0|1,0,0]=3 13688 B11R0.70 CCC(O)CNC(=O)CCOC 11a_100011218483_100000749529 [0,2,0,0,0,0|2,0,0]=4 13689 B11R0.70 CCC(O)CNC(=O)CCOC 240690a_100011218483_100000749529 [0,2,0,0,0,0|2,0,0]=4 13690 B11R0.70 CCC(O)CNC(=O)CCOC 527a_100011218483_100000749529 [0,2,0,0,0,0|2,0,0]=4 13691 B11R0.70 CCC(O)CNC(=O)CCSC 11a_100011218483_100000174002 [0,2,0,0,0,0|2,0,0]=4 13692 B11R0.70 CCC(O)CNC(=O)CCSC 240690a_100011218483_100000174002 [0,2,0,0,0,0|2,0,0]=4 13693 B11R0.70 CCC(O)CNC(=O)CCSC 527a_100011218483_100000174002 [0,2,0,0,0,0|2,0,0]=4 13694 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100000724931_100011218483 [0,2,0,0,0,0|2,0,0]=4 13695 B11R0.70 CCC(O)CNC(=O)NCCF 273464a_100011218483_100000724931 [0,2,0,0,0,0|2,0,0]=4 13696 B11R0.70 CCC(O)CNC(=O)NCCF 512a_100011218483_100000724931 [0,2,0,0,0,0|2,0,0]=4 13697 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100000210304_100011218483 [0,2,0,0,0,0|2,0,0]=4 13698 B11R0.70 CCC(O)CNC(=O)NCCO 273464a_100011218483_100000210304 [0,2,0,0,0,0|2,0,0]=4 13699 B11R0.70 CCC(O)CNC(=O)NCCO 512a_100011218483_100000210304 [0,2,0,0,0,0|2,0,0]=4 13700 B11R0.70 CCC=CC(=O)NCC(C)CC 11a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 13701 B11R0.70 CCC=CC(=O)NCC(C)CC 1626a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 13702 B11R0.70 CCC=CC(=O)NCC(C)CC 240690a_100020588543_100000212282 [0,2,0,0,0,0|2,0,0]=4 13703 B11R0.70 CCC=CC(=O)NCC(O)CC 11a_100011218483_100000212282 [0,2,0,0,0,0|2,0,0]=4 13704 B11R0.70 CCC=CC(=O)NCC(O)CC 240690a_100011218483_100000212282 [0,2,0,0,0,0|2,0,0]=4 13705 B11R0.70 CCCCC(=O)CCC(C)CC 1458a_100000701222_100000210211 [0,2,0,0,0,0|1,0,0]=3 13706 B11R0.70 CCCCC(=O)CCN(C)CC 1458a_100000755305_100000210211 [0,2,0,0,0,0|2,0,0]=4 13707 B11R0.70 CCCCC(=O)CCS(=O)CC 1458a_100011387550_100000210211 [0,2,0,0,0,0|2,0,0]=4 13708 B11R0.70 CCCCC(=O)NCC(C)CC 11a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 13709 B11R0.70 CCCCC(=O)NCC(C)CC 1626a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 13710 B11R0.70 CCCCC(=O)NCC(C)CC 240690a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 13711 B11R0.70 CCCCC(=O)NCC(C)CC 527a_100020588543_100000210183 [0,2,0,0,0,0|2,0,0]=4 13712 B11R0.70 CCCCC(=O)NCC(O)CC 11a_100011218483_100000210183 [0,2,0,0,0,0|2,0,0]=4 13713 B11R0.70 CCCCC(=O)NCC(O)CC 240690a_100011218483_100000210183 [0,2,0,0,0,0|2,0,0]=4 13714 B11R0.70 CCCCC(=O)NCC(O)CC 527a_100011218483_100000210183 [0,2,0,0,0,0|2,0,0]=4 13715 B11R0.70 CCCNC(=O)CCC(=O)CC 1458a_100000199543_100000210202 [0,2,0,0,0,0|1,0,1]=4 13716 B11R0.70 CCCNC(=O)CCC(C)CC 11a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 13717 B11R0.70 CCCNC(=O)CCC(C)CC 1626a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 13718 B11R0.70 CCCNC(=O)CCC(C)CC 240690a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 13719 B11R0.70 CCCNC(=O)CCC(C)CC 527a_100020643023_100000701222 [0,2,0,0,0,0|1,0,0]=3 13720 B11R0.70 CCCNC(=O)CCC(O)CC 1626a_100020643023_203496584001 [0,2,0,0,0,0|1,0,0]=3 13721 B11R0.70 CCCNC(=O)CCC(O)CC 240690a_100020643023_203496584001 [0,2,0,0,0,0|1,0,0]=3 13722 B11R0.70 CCCNC(=O)CCN(C)CC 240690a_100020643023_100000755305 [0,2,0,0,0,0|2,0,0]=4 13723 B11R0.70 CCCNC(=O)CCS(=O)CC 11a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 13724 B11R0.70 CCCNC(=O)CCS(=O)CC 1626a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 13725 B11R0.70 CCCNC(=O)CCS(=O)CC 240690a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 13726 B11R0.70 CCCNC(=O)CCS(=O)CC 527a_100020643023_100011387550 [0,2,0,0,0,0|2,0,0]=4 13727 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000174927_100000758301 [0,2,0,0,0,0|2,0,0]=4 13728 B11R0.70 CCCNC(=O)CNC(C)CC 2230a_100000209981_100000183358 [0,2,0,0,0,0|2,0,0]=4 13729 B11R0.70 CCCNC(=O)COC(C)CC 7a_100000210228_100000183358 [0,2,0,0,0,0|2,0,0]=4 13730 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000183358_100000758301 [0,2,0,0,0,0|2,0,0]=4 13731 B11R0.70 CCCNC(=O)CSC(C)CC 62a_100000758301_100000183358 [0,2,0,0,0,0|2,0,0]=4 13732 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 13733 B11R0.70 CCCNC(=O)NCC(C)CC 2708a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 13734 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 13735 B11R0.70 CCCNC(=O)NCC(C)CC 273464a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 13736 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020588543_100020643023 [0,2,0,0,0,0|2,0,0]=4 13737 B11R0.70 CCCNC(=O)NCC(C)CC 512a_100020643023_100020588543 [0,2,0,0,0,0|2,0,0]=4 13738 B11R0.70 CCCNC(=O)NCC(O)CC 2708a_100020643023_100011218483 [0,2,0,0,0,0|2,0,0]=4 13739 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100011218483_100020643023 [0,2,0,0,0,0|2,0,0]=4 13740 B11R0.70 CCCNC(=O)NCC(O)CC 273464a_100020643023_100011218483 [0,2,0,0,0,0|2,0,0]=4 13741 B11R0.70 CCCNC(=O)NCC(O)CC 512a_100011218483_100020643023 [0,2,0,0,0,0|2,0,0]=4 13742 B11R0.70 CCCOC(=O)CNC(C)CC 2230a_100000209981_200011215008 [0,2,0,0,0,0|1,0,0]=3 13743 B11R0.70 CCCOC(=O)CN[C@H](C)CO 2230a_100000737577_200011215008 [0,2,0,0,0,0|2,0,0]=4 13744 B11R0.70 CCCOC(=O)COC(C)CC 7a_100000210228_200011215008 [0,2,0,0,0,0|1,0,0]=3 13745 B11R0.70 CCCOC(=O)COC(C)CF 34a_100016041109_200011215008 [0,2,0,0,0,0|2,0,0]=4 13746 B11R0.70 CCCOC(=O)COC(C)CF 7a_100016041109_200011215008 [0,2,0,0,0,0|2,0,0]=4 13747 B11R0.70 CCCOC(=O)COC(C)CN 34a_100000210904_200011215008 [0,2,0,0,0,0|2,0,0]=4 13748 B11R0.70 CCCOC(=O)CSC(C)CC 62a_100000758301_200011215008 [0,2,0,0,0,0|1,0,0]=3 13749 B11R0.70 CCCOC(=O)CSC(C)CC 62a_200011215008_100000758301 [0,2,0,0,0,0|1,0,0]=3 13750 B11R0.70 CCCOC(=O)CSC(C)CO 62a_100012180447_200011215008 [0,2,0,0,0,0|2,0,0]=4 13751 B11R0.70 CCCOC(=O)CSC(C)OC 62a_100009879195_200011215008 [0,2,0,0,0,0|2,0,0]=4 13752 B11R0.70 CCCOC(=O)CSC(C)OC 62a_200011215008_100009879195 [0,2,0,0,0,0|2,0,0]=4 13753 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_100016084084_200011215008 [0,2,0,0,0,0|2,0,0]=4 13754 B11R0.70 CCCOC(=O)CS[C@H](C)CO 62a_200011215008_100016084084 [0,2,0,0,0,0|2,0,0]=4 13755 B11R0.70 CCCOC(=O)OCC(=O)CC 1458a_100000210414_200000139673 [0,2,0,0,0,0|1,0,1]=4 13756 B11R0.70 CCCOC(=O)OCN(C)CC 269982a_100000225621_200000139673 [0,2,0,0,0,0|2,0,0]=4 13757 B11R0.70 CCCOC(C)CCC(C)CC 7a_200011216552_100000210303 [0,2,0,0,0,0|1,0,1]=4 13758 B11R0.70 CCN(C)CCC(=O)CCCF 1458a_100000755305_100011934791 [0,2,0,0,0,0|2,0,0]=4 13759 B11R0.70 CCN(C)CCC(=O)CCCO 1458a_100000755305_100011215043 [0,2,0,0,0,0|2,0,0]=4 13760 B11R0.70 CCN(C)CCC(=O)CCOC 1458a_100000755305_100000233755 [0,2,0,0,0,0|2,0,0]=4 13761 B11R0.70 CCN(C)CCC(=O)CCSC 1458a_100000755305_100000751147 [0,2,0,0,0,0|2,0,0]=4 13762 B11R0.70 CCN(C)CCC(=O)NCCF 240690a_100000724931_100000755305 [0,2,0,0,0,0|2,0,0]=4 13763 B11R0.70 CCN(C)CCC(=O)NCCO 240690a_100000210304_100000755305 [0,2,0,0,0,0|2,0,0]=4 13764 B11R0.70 CCNNC(=O)CCC(C)CC 22a_100000756455_100000701222 [0,2,0,0,0,0|1,0,0]=3 13765 B11R0.70 CCNNC(=O)CCC(O)CC 22a_100000756455_203496584001 [0,2,0,0,0,0|1,0,0]=3 13766 B11R0.70 CCNNC(=O)CCN(C)CC 22a_100000756455_100000755305 [0,2,0,0,0,0|2,0,0]=4 13767 B11R0.70 CCNNC(=O)NCC(C)CC 273464a_100020588543_100000756455 [0,2,0,0,0,0|2,0,0]=4 13768 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100000756455_100020588543 [0,2,0,0,0,0|2,0,0]=4 13769 B11R0.70 CCNNC(=O)NCC(C)CC 512a_100020588543_100000756455 [0,2,0,0,0,0|2,0,0]=4 13770 B11R0.70 CCNNC(=O)NCC(O)CC 273464a_100011218483_100000756455 [0,2,0,0,0,0|2,0,0]=4 13771 B11R0.70 CCNNC(=O)NCC(O)CC 512a_100011218483_100000756455 [0,2,0,0,0,0|2,0,0]=4 13772 B11R0.70 CCOCC(=O)CCC(=O)OC 34a_100121572206_100000691467 [0,2,0,0,0,0|1,0,1]=4 13773 B11R0.70 CCOCC(=O)NCC(C)CC 11a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 13774 B11R0.70 CCOCC(=O)NCC(C)CC 1626a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 13775 B11R0.70 CCOCC(=O)NCC(C)CC 240690a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 13776 B11R0.70 CCOCC(=O)NCC(C)CC 527a_100020588543_100000211967 [0,2,0,0,0,0|1,0,0]=3 13777 B11R0.70 CCOCC(=O)NCC(C)CO 240690a_100000744482_100000211967 [0,2,0,0,0,0|2,0,0]=4 13778 B11R0.70 CCOCC(=O)NCC(C)CO 527a_100000744482_100000211967 [0,2,0,0,0,0|2,0,0]=4 13779 B11R0.70 CCOCC(=O)NCC(O)CC 11a_100011218483_100000211967 [0,2,0,0,0,0|1,0,0]=3 13780 B11R0.70 CCOCC(=O)NCC(O)CC 240690a_100011218483_100000211967 [0,2,0,0,0,0|1,0,0]=3 13781 B11R0.70 CCOCC(=O)NCC(O)CC 527a_100011218483_100000211967 [0,2,0,0,0,0|1,0,0]=3 13782 B11R0.70 CCOCC(=O)NCC(O)CO 34a_100121572206_200012027429 [0,2,0,0,0,0|2,0,0]=4 13783 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 11a_100020591295_100000211967 [0,2,0,0,0,0|2,0,0]=4 13784 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 1626a_100020591295_100000211967 [0,2,0,0,0,0|2,0,0]=4 13785 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 240690a_100020591295_100000211967 [0,2,0,0,0,0|2,0,0]=4 13786 B11R0.70 CCOCC(=O)NC[C@@H](C)OC 527a_100020591295_100000211967 [0,2,0,0,0,0|2,0,0]=4 13787 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 240690a_100015665980_100000211967 [0,2,0,0,0,0|2,0,0]=4 13788 B11R0.70 CCOCC(=O)NC[C@@H](F)CO 527a_100015665980_100000211967 [0,2,0,0,0,0|2,0,0]=4 13789 B11R0.70 CCOCC(=O)NC[C@H](O)CO 240690a_100020644852_100000211967 [0,2,0,0,0,0|2,0,0]=4 13790 B11R0.70 CCOCC(=O)NC[C@H](O)CO 527a_100020644852_100000211967 [0,2,0,0,0,0|2,0,0]=4 13791 B11R0.70 CCOCC(=O)NNC(C)CC 22a_100000718999_100000211967 [0,2,0,0,0,0|2,0,0]=4 13792 B11R0.70 CCS(=O)CCC(=O)CCCF 1458a_100011387550_100011934791 [0,2,0,0,0,0|2,0,0]=4 13793 B11R0.70 CCS(=O)CCC(=O)CCCO 1458a_100011387550_100011215043 [0,2,0,0,0,0|2,0,0]=4 13794 B11R0.70 CCS(=O)CCC(=O)CCOC 1458a_100011387550_100000233755 [0,2,0,0,0,0|2,0,0]=4 13795 B11R0.70 CCS(=O)CCC(=O)CCSC 1458a_100011387550_100000751147 [0,2,0,0,0,0|2,0,0]=4 13796 B11R0.70 CCS(=O)CCC(=O)NCCF 11a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 13797 B11R0.70 CCS(=O)CCC(=O)NCCF 1626a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 13798 B11R0.70 CCS(=O)CCC(=O)NCCF 240690a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 13799 B11R0.70 CCS(=O)CCC(=O)NCCF 527a_100000724931_100011387550 [0,2,0,0,0,0|2,0,0]=4 13800 B11R0.70 CCS(=O)CCC(=O)NCCO 240690a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 13801 B11R0.70 CCS(=O)CCC(=O)NCCO 527a_100000210304_100011387550 [0,2,0,0,0,0|2,0,0]=4 13802 B11R0.70 CCSCC(=O)NCC(C)CC 11a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 13803 B11R0.70 CCSCC(=O)NCC(C)CC 1626a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 13804 B11R0.70 CCSCC(=O)NCC(C)CC 240690a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 13805 B11R0.70 CCSCC(=O)NCC(C)CC 527a_100020588543_100000230394 [0,2,0,0,0,0|1,1,0]=4 13806 B11R0.70 CCSCC(=O)NCC(O)CC 11a_100011218483_100000230394 [0,2,0,0,0,0|1,1,0]=4 13807 B11R0.70 CCSCC(=O)NCC(O)CC 240690a_100011218483_100000230394 [0,2,0,0,0,0|1,1,0]=4 13808 B11R0.70 CCSCC(=O)NCC(O)CC 527a_100011218483_100000230394 [0,2,0,0,0,0|1,1,0]=4 13809 B11R0.140 C#CCCCC(=O)C=COCC 1458a_100016266692_100000731252 [0,2,0,0,0,0|0,0,2]=4 13810 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000212188_100000731252 [0,2,0,0,0,0|1,0,0]=3 13811 B11R0.140 C#CCCCC(=O)CCCCC 1458a_100000690238_100000210326 [0,2,0,0,0,0|1,0,0]=3 13812 B11R0.140 C#CCCCC(=O)CCCCF 1458a_100000690238_100000729493 [0,2,0,0,0,0|2,0,0]=4 13813 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000690238_100000210776 [0,2,0,0,0,0|2,0,0]=4 13814 B11R0.140 C#CCCCC(=O)CCCCO 1458a_100000695505_100000731252 [0,2,0,0,0,0|2,0,0]=4 13815 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000690238_100000740836 [0,2,0,0,0,0|2,0,0]=4 13816 B11R0.140 C#CCCCC(=O)CCCOC 1458a_100000741012_100000731252 [0,2,0,0,0,0|2,0,0]=4 13817 B11R0.140 C#CCCCC(=O)CCCSC 1458a_100000173376_100000731252 [0,2,0,0,0,0|2,0,0]=4 13818 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000690238_100011215890 [0,2,0,0,0,0|0,0,2]=4 13819 B11R0.140 C#CCCCC(=O)CCOCC 1458a_100000749530_100000731252 [0,2,0,0,0,0|0,0,2]=4 13820 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000230768_100000731252 [0,2,0,0,0,0|2,0,0]=4 13821 B11R0.140 C#CCCCC(=O)CCSCC 1458a_100000690238_100000757381 [0,2,0,0,0,0|2,0,0]=4 13822 B11R0.140 C#CCCCC(=O)COCCC 1458a_100000745993_100000731252 [0,2,0,0,0,0|0,0,2]=4 13823 B11R0.140 C#CCCCC(=O)COCCO 1458a_100000708028_100000731252 [0,2,0,0,0,0|0,0,2]=4 13824 B11R0.140 C#CCCCC(=O)CSCCC 1458a_100000217233_100000731252 [0,2,0,0,0,0|2,0,0]=4 13825 B11R0.140 C#CCCCC(=O)NCCCC 11a_100000102301_100000690238 [0,2,0,0,0,0|2,0,0]=4 13826 B11R0.140 C#CCCCC(=O)NCCCC 1626a_100000102301_100000690238 [0,2,0,0,0,0|2,0,0]=4 13827 B11R0.140 C#CCCCC(=O)NCCCC 240690a_100000102301_100000690238 [0,2,0,0,0,0|2,0,0]=4 13828 B11R0.140 C#CCCCC(=O)NCCCC 527a_100000102301_100000690238 [0,2,0,0,0,0|2,0,0]=4 13829 B11R0.140 C#CCCNC(=O)CCCCC 11a_100000755551_100000212188 [0,2,0,0,0,0|1,0,0]=3 13830 B11R0.140 C#CCCNC(=O)CCCCC 1626a_100000755551_100000212188 [0,2,0,0,0,0|1,0,0]=3 13831 B11R0.140 C#CCCNC(=O)CCCCC 240690a_100000755551_100000212188 [0,2,0,0,0,0|1,0,0]=3 13832 B11R0.140 C#CCCNC(=O)CCCCC 527a_100000755551_100000212188 [0,2,0,0,0,0|1,0,0]=3 13833 B11R0.140 C#CCCNC(=O)CCCCO 1626a_100000755551_100000695505 [0,2,0,0,0,0|2,0,0]=4 13834 B11R0.140 C#CCCNC(=O)CCCOC 11a_100000755551_100000741012 [0,2,0,0,0,0|2,0,0]=4 13835 B11R0.140 C#CCCNC(=O)CCCOC 1626a_100000755551_100000741012 [0,2,0,0,0,0|2,0,0]=4 13836 B11R0.140 C#CCCNC(=O)CCCOC 240690a_100000755551_100000741012 [0,2,0,0,0,0|2,0,0]=4 13837 B11R0.140 C#CCCNC(=O)CCCOC 527a_100000755551_100000741012 [0,2,0,0,0,0|2,0,0]=4 13838 B11R0.140 C#CCCNC(=O)CCCSC 11a_100000755551_100000173376 [0,2,0,0,0,0|2,0,0]=4 13839 B11R0.140 C#CCCNC(=O)CCCSC 1626a_100000755551_100000173376 [0,2,0,0,0,0|2,0,0]=4 13840 B11R0.140 C#CCCNC(=O)CCCSC 240690a_100000755551_100000173376 [0,2,0,0,0,0|2,0,0]=4 13841 B11R0.140 C#CCCNC(=O)CCCSC 527a_100000755551_100000173376 [0,2,0,0,0,0|2,0,0]=4 13842 B11R0.140 C#CCCNC(=O)CCOCC 11a_100000755551_100000749530 [0,2,0,0,0,0|2,0,0]=4 13843 B11R0.140 C#CCCNC(=O)CCOCC 1626a_100000755551_100000749530 [0,2,0,0,0,0|2,0,0]=4 13844 B11R0.140 C#CCCNC(=O)CCOCC 240690a_100000755551_100000749530 [0,2,0,0,0,0|2,0,0]=4 13845 B11R0.140 C#CCCNC(=O)CCOCC 527a_100000755551_100000749530 [0,2,0,0,0,0|2,0,0]=4 13846 B11R0.140 C#CCCNC(=O)CCSCC 11a_100000755551_100000230768 [0,2,0,0,0,0|2,0,0]=4 13847 B11R0.140 C#CCCNC(=O)CCSCC 1626a_100000755551_100000230768 [0,2,0,0,0,0|2,0,0]=4 13848 B11R0.140 C#CCCNC(=O)CCSCC 240690a_100000755551_100000230768 [0,2,0,0,0,0|2,0,0]=4 13849 B11R0.140 C#CCCNC(=O)CCSCC 527a_100000755551_100000230768 [0,2,0,0,0,0|2,0,0]=4 13850 B11R0.140 C#CCCNC(=O)COCCC 11a_100000755551_100000745993 [0,2,0,0,0,0|2,0,0]=4 13851 B11R0.140 C#CCCNC(=O)COCCC 1626a_100000755551_100000745993 [0,2,0,0,0,0|2,0,0]=4 13852 B11R0.140 C#CCCNC(=O)COCCC 240690a_100000755551_100000745993 [0,2,0,0,0,0|2,0,0]=4 13853 B11R0.140 C#CCCNC(=O)COCCC 527a_100000755551_100000745993 [0,2,0,0,0,0|2,0,0]=4 13854 B11R0.140 C#CCCNC(=O)CSCCC 11a_100000755551_100000217233 [0,2,0,0,0,0|2,0,0]=4 13855 B11R0.140 C#CCCNC(=O)CSCCC 1626a_100000755551_100000217233 [0,2,0,0,0,0|2,0,0]=4 13856 B11R0.140 C#CCCNC(=O)CSCCC 240690a_100000755551_100000217233 [0,2,0,0,0,0|2,0,0]=4 13857 B11R0.140 C#CCCNC(=O)CSCCC 527a_100000755551_100000217233 [0,2,0,0,0,0|2,0,0]=4 13858 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000102301_100000755551 [0,2,0,0,0,0|2,0,0]=4 13859 B11R0.140 C#CCCNC(=O)NCCCC 2708a_100000755551_100000102301 [0,2,0,0,0,0|2,0,0]=4 13860 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000102301_100000755551 [0,2,0,0,0,0|2,0,0]=4 13861 B11R0.140 C#CCCNC(=O)NCCCC 273464a_100000755551_100000102301 [0,2,0,0,0,0|2,0,0]=4 13862 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000102301_100000755551 [0,2,0,0,0,0|2,0,0]=4 13863 B11R0.140 C#CCCNC(=O)NCCCC 512a_100000755551_100000102301 [0,2,0,0,0,0|2,0,0]=4 13864 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215631_200011218191 [0,2,0,0,0,0|1,0,1]=4 13865 B11R0.140 C#CCCOC(C)CCCCC 34a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 13866 B11R0.140 C#CCCOC(C)CCCCC 7a_100011215632_100000688953 [0,2,0,0,0,0|1,0,1]=4 13867 B11R0.140 C#CCNCC(=O)CCCCC 34a_100000212058_200012276598 [0,2,0,0,0,0|1,0,1]=4 13868 B11R0.140 C#CCOCC(=O)CCCCC 1458a_100011251226_100000210326 [0,2,0,0,0,0|0,0,1]=3 13869 B11R0.140 C#CCOCC(=O)CCCCC 34a_100000210247_200012276598 [0,2,0,0,0,0|0,0,1]=3 13870 B11R0.140 C#CCOCC(=O)CCCCF 1458a_100011251226_100000729493 [0,2,0,0,0,0|1,0,1]=4 13871 B11R0.140 C#CCOCC(=O)CCCCO 1458a_100011251226_100000210776 [0,2,0,0,0,0|1,0,1]=4 13872 B11R0.140 C#CCOCC(=O)CCCOC 1458a_100011251226_100000740836 [0,2,0,0,0,0|1,0,1]=4 13873 B11R0.140 C#CCOCC(=O)CCOCC 1458a_100011251226_100011215890 [0,2,0,0,0,0|1,0,1]=4 13874 B11R0.140 C#CCOCC(=O)CCSCC 1458a_100011251226_100000757381 [0,2,0,0,0,0|1,0,1]=4 13875 B11R0.140 C#CCOCC(=O)NCCCC 11a_100000102301_100011251226 [0,2,0,0,0,0|1,0,1]=4 13876 B11R0.140 C#CCOCC(=O)NCCCC 1626a_100000102301_100011251226 [0,2,0,0,0,0|1,0,1]=4 13877 B11R0.140 C#CCOCC(=O)NCCCC 34a_100000210247_100000182744 [0,2,0,0,0,0|1,0,1]=4 13878 B11R0.140 C#CCOCC(=O)NCCCC 527a_100000102301_100011251226 [0,2,0,0,0,0|1,0,1]=4 13879 B11R0.140 C#CCOCC(=O)OCCCC 34a_100000210247_100000211628 [0,2,0,0,0,0|1,0,1]=4 13880 B11R0.140 C#CCSCC(=O)CCCCC 62a_100000038162_200012276598 [0,2,0,0,0,0|0,1,1]=4 13881 B11R0.140 C/C=C/C=CC(=O)CCCCC 1458a_100000185730_100000210326 [0,2,0,0,0,0|1,0,1]=4 13882 B11R0.140 C/C=C/COC(C)CCCCC 34a_100011215632_100102629194 [0,2,0,0,0,0|1,0,1]=4 13883 B11R0.140 C/C=C/COC(C)CCCCC 34a_100016270725_200011218191 [0,2,0,0,0,0|1,0,1]=4 13884 B11R0.140 C/C=C/COC(C)CCCCC 7a_100011215632_100102629194 [0,2,0,0,0,0|1,0,1]=4 13885 B11R0.140 C=CCCCC(=O)C=COCC 1458a_100016266692_100000757094 [0,2,0,0,0,0|0,0,2]=4 13886 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000212188_100000757094 [0,2,0,0,0,0|1,0,0]=3 13887 B11R0.140 C=CCCCC(=O)CCCCC 1458a_100000766728_100000210326 [0,2,0,0,0,0|1,0,0]=3 13888 B11R0.140 C=CCCCC(=O)CCCCF 1458a_100000766728_100000729493 [0,2,0,0,0,0|2,0,0]=4 13889 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000695505_100000757094 [0,2,0,0,0,0|2,0,0]=4 13890 B11R0.140 C=CCCCC(=O)CCCCO 1458a_100000766728_100000210776 [0,2,0,0,0,0|2,0,0]=4 13891 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000741012_100000757094 [0,2,0,0,0,0|2,0,0]=4 13892 B11R0.140 C=CCCCC(=O)CCCOC 1458a_100000766728_100000740836 [0,2,0,0,0,0|2,0,0]=4 13893 B11R0.140 C=CCCCC(=O)CCCSC 1458a_100000173376_100000757094 [0,2,0,0,0,0|2,0,0]=4 13894 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000749530_100000757094 [0,2,0,0,0,0|0,0,2]=4 13895 B11R0.140 C=CCCCC(=O)CCOCC 1458a_100000766728_100011215890 [0,2,0,0,0,0|0,0,2]=4 13896 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000230768_100000757094 [0,2,0,0,0,0|2,0,0]=4 13897 B11R0.140 C=CCCCC(=O)CCSCC 1458a_100000766728_100000757381 [0,2,0,0,0,0|2,0,0]=4 13898 B11R0.140 C=CCCCC(=O)COCCC 1458a_100000745993_100000757094 [0,2,0,0,0,0|0,0,2]=4 13899 B11R0.140 C=CCCCC(=O)COCCO 1458a_100000708028_100000757094 [0,2,0,0,0,0|0,0,2]=4 13900 B11R0.140 C=CCCCC(=O)CSCCC 1458a_100000217233_100000757094 [0,2,0,0,0,0|2,0,0]=4 13901 B11R0.140 C=CCCCC(=O)NCCCC 11a_100000102301_100000766728 [0,2,0,0,0,0|2,0,0]=4 13902 B11R0.140 C=CCCCC(=O)NCCCC 1626a_100000102301_100000766728 [0,2,0,0,0,0|2,0,0]=4 13903 B11R0.140 C=CCCCC(=O)NCCCC 240690a_100000102301_100000766728 [0,2,0,0,0,0|2,0,0]=4 13904 B11R0.140 C=CCCCC(=O)NCCCC 527a_100000102301_100000766728 [0,2,0,0,0,0|2,0,0]=4 13905 B11R0.140 C=CCCNC(=O)CCCCC 11a_100015191253_100000212188 [0,2,0,0,0,0|1,0,0]=3 13906 B11R0.140 C=CCCNC(=O)CCCCC 1626a_100015191253_100000212188 [0,2,0,0,0,0|1,0,0]=3 13907 B11R0.140 C=CCCNC(=O)CCCCC 240690a_100015191253_100000212188 [0,2,0,0,0,0|1,0,0]=3 13908 B11R0.140 C=CCCNC(=O)CCCCC 527a_100015191253_100000212188 [0,2,0,0,0,0|1,0,0]=3 13909 B11R0.140 C=CCCNC(=O)CCCCO 1626a_100015191253_100000695505 [0,2,0,0,0,0|2,0,0]=4 13910 B11R0.140 C=CCCNC(=O)CCCOC 11a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 13911 B11R0.140 C=CCCNC(=O)CCCOC 1626a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 13912 B11R0.140 C=CCCNC(=O)CCCOC 240690a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 13913 B11R0.140 C=CCCNC(=O)CCCOC 527a_100015191253_100000741012 [0,2,0,0,0,0|2,0,0]=4 13914 B11R0.140 C=CCCNC(=O)CCCSC 11a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 13915 B11R0.140 C=CCCNC(=O)CCCSC 1626a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 13916 B11R0.140 C=CCCNC(=O)CCCSC 240690a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 13917 B11R0.140 C=CCCNC(=O)CCCSC 527a_100015191253_100000173376 [0,2,0,0,0,0|2,0,0]=4 13918 B11R0.140 C=CCCNC(=O)CCOCC 11a_100015191253_100000749530 [0,2,0,0,0,0|2,0,0]=4 13919 B11R0.140 C=CCCNC(=O)CCOCC 1626a_100015191253_100000749530 [0,2,0,0,0,0|2,0,0]=4 13920 B11R0.140 C=CCCNC(=O)CCOCC 240690a_100015191253_100000749530 [0,2,0,0,0,0|2,0,0]=4 13921 B11R0.140 C=CCCNC(=O)CCOCC 527a_100015191253_100000749530 [0,2,0,0,0,0|2,0,0]=4 13922 B11R0.140 C=CCCNC(=O)CCSCC 11a_100015191253_100000230768 [0,2,0,0,0,0|2,0,0]=4 13923 B11R0.140 C=CCCNC(=O)CCSCC 1626a_100015191253_100000230768 [0,2,0,0,0,0|2,0,0]=4 13924 B11R0.140 C=CCCNC(=O)CCSCC 240690a_100015191253_100000230768 [0,2,0,0,0,0|2,0,0]=4 13925 B11R0.140 C=CCCNC(=O)CCSCC 527a_100015191253_100000230768 [0,2,0,0,0,0|2,0,0]=4 13926 B11R0.140 C=CCCNC(=O)COCCC 11a_100015191253_100000745993 [0,2,0,0,0,0|2,0,0]=4 13927 B11R0.140 C=CCCNC(=O)COCCC 1626a_100015191253_100000745993 [0,2,0,0,0,0|2,0,0]=4 13928 B11R0.140 C=CCCNC(=O)COCCC 240690a_100015191253_100000745993 [0,2,0,0,0,0|2,0,0]=4 13929 B11R0.140 C=CCCNC(=O)COCCC 527a_100015191253_100000745993 [0,2,0,0,0,0|2,0,0]=4 13930 B11R0.140 C=CCCNC(=O)CSCCC 11a_100015191253_100000217233 [0,2,0,0,0,0|2,0,0]=4 13931 B11R0.140 C=CCCNC(=O)CSCCC 1626a_100015191253_100000217233 [0,2,0,0,0,0|2,0,0]=4 13932 B11R0.140 C=CCCNC(=O)CSCCC 240690a_100015191253_100000217233 [0,2,0,0,0,0|2,0,0]=4 13933 B11R0.140 C=CCCNC(=O)CSCCC 527a_100015191253_100000217233 [0,2,0,0,0,0|2,0,0]=4 13934 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 13935 B11R0.140 C=CCCNC(=O)NCCCC 2708a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 13936 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 13937 B11R0.140 C=CCCNC(=O)NCCCC 273464a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 13938 B11R0.140 C=CCCNC(=O)NCCCC 512a_100000102301_100015191253 [0,2,0,0,0,0|2,0,0]=4 13939 B11R0.140 C=CCCNC(=O)NCCCC 512a_100015191253_100000102301 [0,2,0,0,0,0|2,0,0]=4 13940 B11R0.140 C=CCCOC(C)CCCCC 34a_100011205117_200011218191 [0,2,0,0,0,0|1,0,1]=4 13941 B11R0.140 C=CCCOC(C)CCCCC 34a_100011215632_100000754431 [0,2,0,0,0,0|1,0,1]=4 13942 B11R0.140 C=CCCOC(C)CCCCC 7a_100011215632_100000754431 [0,2,0,0,0,0|1,0,1]=4 13943 B11R0.140 C=CCNCC(=O)CCCCC 2230a_100020586998_200012276598 [0,2,0,0,0,0|1,0,1]=4 13944 B11R0.140 C=CCNNC(=O)CCCCC 22a_100020588587_100000212188 [0,2,0,0,0,0|1,0,1]=4 13945 B11R0.140 C=CCOCC(=O)CCCCC 34a_200000210373_200012276598 [0,2,0,0,0,0|0,0,1]=3 13946 B11R0.140 C=CCOCC(=O)NCCCC 34a_200000210373_100000182744 [0,2,0,0,0,0|1,0,1]=4 13947 B11R0.140 C=CCOCC(=O)OCCCC 34a_200000210373_100000211628 [0,2,0,0,0,0|1,0,1]=4 13948 B11R0.140 C=CCSCC(=O)CCCCC 1458a_100000230395_100000210326 [0,2,0,0,0,0|0,1,1]=4 13949 B11R0.140 C=CCSCC(=O)CCCCC 62a_100000210623_200012276598 [0,2,0,0,0,0|0,1,1]=4 13950 B11R0.140 C=CCSCC(=O)CCCCC 62a_200012276598_100000210623 [0,2,0,0,0,0|0,1,1]=4 13951 B11R0.140 C=COCCC(=O)CCCCC 1458a_100000212188_100000039644 [0,2,0,0,0,0|0,0,2]=4 13952 B11R0.140 CC#CCNC(=O)CCCCC 11a_100000685387_100000212188 [0,2,0,0,0,0|1,0,0]=3 13953 B11R0.140 CC#CCNC(=O)CCCCC 1626a_100000685387_100000212188 [0,2,0,0,0,0|1,0,0]=3 13954 B11R0.140 CC#CCNC(=O)CCCCC 527a_100000685387_100000212188 [0,2,0,0,0,0|1,0,0]=3 13955 B11R0.140 CC#CCNC(=O)CCCCO 1626a_100000685387_100000695505 [0,2,0,0,0,0|2,0,0]=4 13956 B11R0.140 CC#CCNC(=O)CCCOC 11a_100000685387_100000741012 [0,2,0,0,0,0|2,0,0]=4 13957 B11R0.140 CC#CCNC(=O)CCCOC 1626a_100000685387_100000741012 [0,2,0,0,0,0|2,0,0]=4 13958 B11R0.140 CC#CCNC(=O)CCCOC 527a_100000685387_100000741012 [0,2,0,0,0,0|2,0,0]=4 13959 B11R0.140 CC#CCNC(=O)CCCSC 11a_100000685387_100000173376 [0,2,0,0,0,0|2,0,0]=4 13960 B11R0.140 CC#CCNC(=O)CCCSC 1626a_100000685387_100000173376 [0,2,0,0,0,0|2,0,0]=4 13961 B11R0.140 CC#CCNC(=O)CCCSC 527a_100000685387_100000173376 [0,2,0,0,0,0|2,0,0]=4 13962 B11R0.140 CC#CCNC(=O)CCOCC 11a_100000685387_100000749530 [0,2,0,0,0,0|2,0,0]=4 13963 B11R0.140 CC#CCNC(=O)CCOCC 1626a_100000685387_100000749530 [0,2,0,0,0,0|2,0,0]=4 13964 B11R0.140 CC#CCNC(=O)CCOCC 527a_100000685387_100000749530 [0,2,0,0,0,0|2,0,0]=4 13965 B11R0.140 CC#CCNC(=O)CCSCC 11a_100000685387_100000230768 [0,2,0,0,0,0|2,0,0]=4 13966 B11R0.140 CC#CCNC(=O)CCSCC 1626a_100000685387_100000230768 [0,2,0,0,0,0|2,0,0]=4 13967 B11R0.140 CC#CCNC(=O)CCSCC 527a_100000685387_100000230768 [0,2,0,0,0,0|2,0,0]=4 13968 B11R0.140 CC#CCNC(=O)COCCC 11a_100000685387_100000745993 [0,2,0,0,0,0|2,0,0]=4 13969 B11R0.140 CC#CCNC(=O)COCCC 1626a_100000685387_100000745993 [0,2,0,0,0,0|2,0,0]=4 13970 B11R0.140 CC#CCNC(=O)COCCC 527a_100000685387_100000745993 [0,2,0,0,0,0|2,0,0]=4 13971 B11R0.140 CC#CCNC(=O)CSCCC 11a_100000685387_100000217233 [0,2,0,0,0,0|2,0,0]=4 13972 B11R0.140 CC#CCNC(=O)CSCCC 1626a_100000685387_100000217233 [0,2,0,0,0,0|2,0,0]=4 13973 B11R0.140 CC#CCNC(=O)CSCCC 527a_100000685387_100000217233 [0,2,0,0,0,0|2,0,0]=4 13974 B11R0.140 CC#CCNC(=O)NCCCC 2708a_100000102301_100000685387 [0,2,0,0,0,0|2,0,0]=4 13975 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000102301_100000685387 [0,2,0,0,0,0|2,0,0]=4 13976 B11R0.140 CC#CCNC(=O)NCCCC 273464a_100000685387_100000102301 [0,2,0,0,0,0|2,0,0]=4 13977 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000102301_100000685387 [0,2,0,0,0,0|2,0,0]=4 13978 B11R0.140 CC#CCNC(=O)NCCCC 512a_100000685387_100000102301 [0,2,0,0,0,0|2,0,0]=4 13979 B11R0.140 CC#CCOC(C)CCCCC 34a_100000761923_200011218191 [0,2,0,0,0,0|1,0,1]=4 13980 B11R0.140 CC#CCOC(C)CCCCC 34a_100011215632_100000748600 [0,2,0,0,0,0|1,0,1]=4 13981 B11R0.140 CC#CCOC(C)CCCCC 7a_100011215632_100000748600 [0,2,0,0,0,0|1,0,1]=4 13982 B11R0.140 CC/C=C/CC(=O)CCCCC 1458a_100016274230_100000210326 [0,2,0,0,0,0|1,0,0]=3 13983 B11R0.140 CC/C=C/CC(=O)CCCCF 1458a_100016274230_100000729493 [0,2,0,0,0,0|2,0,0]=4 13984 B11R0.140 CC/C=C/CC(=O)CCCCO 1458a_100016274230_100000210776 [0,2,0,0,0,0|2,0,0]=4 13985 B11R0.140 CC/C=C/CC(=O)CCCOC 1458a_100016274230_100000740836 [0,2,0,0,0,0|2,0,0]=4 13986 B11R0.140 CC/C=C/CC(=O)CCOCC 1458a_100016274230_100011215890 [0,2,0,0,0,0|0,0,2]=4 13987 B11R0.140 CC/C=C/CC(=O)CCSCC 1458a_100016274230_100000757381 [0,2,0,0,0,0|2,0,0]=4 13988 B11R0.140 CC/C=C/CC(=O)NCCCC 11a_100000102301_100016274230 [0,2,0,0,0,0|2,0,0]=4 13989 B11R0.140 CC/C=C/CC(=O)NCCCC 1626a_100000102301_100016274230 [0,2,0,0,0,0|2,0,0]=4 13990 B11R0.140 CC/C=C/CC(=O)NCCCC 240690a_100000102301_100016274230 [0,2,0,0,0,0|2,0,0]=4 13991 B11R0.140 CC/C=C/CC(=O)NCCCC 527a_100000102301_100016274230 [0,2,0,0,0,0|2,0,0]=4 13992 B11R0.140 CC/C=C\CC(=O)C=COCC 1458a_100016266692_100103147603 [0,2,0,0,0,0|0,0,2]=4 13993 B11R0.140 CC/C=C\CC(=O)CCCCC 1458a_100000212188_100103147603 [0,2,0,0,0,0|1,0,0]=3 13994 B11R0.140 CC/C=C\CC(=O)CCCCO 1458a_100000695505_100103147603 [0,2,0,0,0,0|2,0,0]=4 13995 B11R0.140 CC/C=C\CC(=O)CCCOC 1458a_100000741012_100103147603 [0,2,0,0,0,0|2,0,0]=4 13996 B11R0.140 CC/C=C\CC(=O)CCCSC 1458a_100000173376_100103147603 [0,2,0,0,0,0|2,0,0]=4 13997 B11R0.140 CC/C=C\CC(=O)CCOCC 1458a_100000749530_100103147603 [0,2,0,0,0,0|0,0,2]=4 13998 B11R0.140 CC/C=C\CC(=O)CCSCC 1458a_100000230768_100103147603 [0,2,0,0,0,0|2,0,0]=4 13999 B11R0.140 CC/C=C\CC(=O)COCCC 1458a_100000745993_100103147603 [0,2,0,0,0,0|0,0,2]=4 14000 B11R0.140 CC/C=C\CC(=O)COCCO 1458a_100000708028_100103147603 [0,2,0,0,0,0|0,0,2]=4 14001 B11R0.140 CC/C=C\CC(=O)CSCCC 1458a_100000217233_100103147603 [0,2,0,0,0,0|2,0,0]=4 14002 B11R0.140 CC=CCOC(C)CCCCC 34a_100011215632_100000070051 [0,2,0,0,0,0|1,0,1]=4 14003 B11R0.140 CC=CCOC(C)CCCCC 7a_100011215632_100000070051 [0,2,0,0,0,0|1,0,1]=4 14004 B11R0.140 CCC#CCC(=O)C=COCC 1458a_100016266692_100009813939 [0,2,0,0,0,0|0,0,2]=4 14005 B11R0.140 CCC#CCC(=O)CCCCC 1458a_100000212188_100009813939 [0,2,0,0,0,0|1,0,0]=3 14006 B11R0.140 CCC#CCC(=O)CCCCO 1458a_100000695505_100009813939 [0,2,0,0,0,0|2,0,0]=4 14007 B11R0.140 CCC#CCC(=O)CCCOC 1458a_100000741012_100009813939 [0,2,0,0,0,0|2,0,0]=4 14008 B11R0.140 CCC#CCC(=O)CCCSC 1458a_100000173376_100009813939 [0,2,0,0,0,0|2,0,0]=4 14009 B11R0.140 CCC#CCC(=O)CCOCC 1458a_100000749530_100009813939 [0,2,0,0,0,0|0,0,2]=4 14010 B11R0.140 CCC#CCC(=O)CCSCC 1458a_100000230768_100009813939 [0,2,0,0,0,0|2,0,0]=4 14011 B11R0.140 CCC#CCC(=O)COCCC 1458a_100000745993_100009813939 [0,2,0,0,0,0|0,0,2]=4 14012 B11R0.140 CCC#CCC(=O)COCCO 1458a_100000708028_100009813939 [0,2,0,0,0,0|0,0,2]=4 14013 B11R0.140 CCC#CCC(=O)CSCCC 1458a_100000217233_100009813939 [0,2,0,0,0,0|2,0,0]=4 14014 B11R0.140 CCC=NNC(=O)CCCCC 4a_100000189784_100000210100 [0,2,0,0,0,0|1,0,0]=3 14015 B11R0.140 CCCC#CC(=O)CCCCC 1458a_200011218047_100000210326 [0,2,0,0,0,0|1,0,0]=3 14016 B11R0.140 CCCC#CC(=O)CCCCF 1458a_200011218047_100000729493 [0,2,0,0,0,0|2,0,0]=4 14017 B11R0.140 CCCC#CC(=O)CCCCO 1458a_200011218047_100000210776 [0,2,0,0,0,0|2,0,0]=4 14018 B11R0.140 CCCC#CC(=O)CCCOC 1458a_200011218047_100000740836 [0,2,0,0,0,0|2,0,0]=4 14019 B11R0.140 CCCC#CC(=O)CCOCC 1458a_200011218047_100011215890 [0,2,0,0,0,0|0,0,2]=4 14020 B11R0.140 CCCC#CC(=O)CCSCC 1458a_200011218047_100000757381 [0,2,0,0,0,0|2,0,0]=4 14021 B11R0.140 CCCC#CC(=O)NCCCC 240690a_100000102301_200011218047 [0,2,0,0,0,0|2,0,0]=4 14022 B11R0.140 CCCC=CC(=O)CCCCC 1458a_100000212230_100000210326 [0,2,0,0,0,0|1,0,0]=3 14023 B11R0.140 CCCC=CC(=O)CCCCF 1458a_100000212230_100000729493 [0,2,0,0,0,0|2,0,0]=4 14024 B11R0.140 CCCC=CC(=O)CCCCO 1458a_100000212230_100000210776 [0,2,0,0,0,0|2,0,0]=4 14025 B11R0.140 CCCC=CC(=O)CCCOC 1458a_100000212230_100000740836 [0,2,0,0,0,0|2,0,0]=4 14026 B11R0.140 CCCC=CC(=O)CCOCC 1458a_100000212230_100011215890 [0,2,0,0,0,0|0,0,2]=4 14027 B11R0.140 CCCC=CC(=O)CCSCC 1458a_100000212230_100000757381 [0,2,0,0,0,0|2,0,0]=4 14028 B11R0.140 CCCC=CC(=O)NCCCC 11a_100000102301_100000212230 [0,2,0,0,0,0|2,0,0]=4 14029 B11R0.140 CCCC=CC(=O)NCCCC 1626a_100000102301_100000212230 [0,2,0,0,0,0|2,0,0]=4 14030 B11R0.140 CCCC=CC(=O)NCCCC 240690a_100000102301_100000212230 [0,2,0,0,0,0|2,0,0]=4 14031 B11R0.140 CCCCCC(=NNCCC)C 4a_100000740057_100000211708 [0,2,0,0,0,0|2,0,0]=4 14032 B11R0.140 CCCCCC(=NNCCO)C 4a_100000210001_100000211708 [0,2,0,0,0,0|2,0,0]=4 14033 B11R0.140 CCCCCC(=O)C=CCOC 1458a_100016285016_100000210326 [0,2,0,0,0,0|1,0,0]=3 14034 B11R0.140 CCCCCC(=O)C=COCC 1458a_100016266692_100000210326 [0,2,0,0,0,0|0,0,0]=2 14035 B11R0.140 CCCCCC(=O)CC#CCO 1458a_100000212188_200000047223 [0,2,0,0,0,0|1,0,1]=4 14036 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000075515_100000210326 [0,2,0,0,0,0|1,0,0]=3 14037 B11R0.140 CCCCCC(=O)CCCC#N 1458a_100000212188_100000211468 [0,2,0,0,0,0|1,0,0]=3 14038 B11R0.140 CCCCCC(=O)CCCCC 1458a_100000212188_100000210326 [0,2,0,0,0,0|1,0,0]=3 14039 B11R0.140 CCCCCC(=O)CCCCF 1458a_100000212188_100000729493 [0,2,0,0,0,0|1,0,0]=3 14040 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000212188_100000210776 [0,2,0,0,0,0|1,0,0]=3 14041 B11R0.140 CCCCCC(=O)CCCCO 1458a_100000695505_100000210326 [0,2,0,0,0,0|1,0,0]=3 14042 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000212188_100000740836 [0,2,0,0,0,0|1,0,0]=3 14043 B11R0.140 CCCCCC(=O)CCCOC 1458a_100000741012_100000210326 [0,2,0,0,0,0|1,0,0]=3 14044 B11R0.140 CCCCCC(=O)CCCSC 1458a_100000173376_100000210326 [0,2,0,0,0,0|1,0,0]=3 14045 B11R0.140 CCCCCC(=O)CCN=[N+]=[N-] 1458a_100000688302_100000210326 [0,2,0,0,0,0|2,0,0]=4 14046 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000212188_100011215890 [0,2,0,0,0,0|0,0,0]=2 14047 B11R0.140 CCCCCC(=O)CCOCC 1458a_100000749530_100000210326 [0,2,0,0,0,0|0,0,0]=2 14048 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000212188_100000757381 [0,2,0,0,0,0|0,1,0]=3 14049 B11R0.140 CCCCCC(=O)CCSCC 1458a_100000230768_100000210326 [0,2,0,0,0,0|0,1,0]=3 14050 B11R0.140 CCCCCC(=O)CNCCF 34a_100000724931_200012276598 [0,2,0,0,0,0|1,0,0]=3 14051 B11R0.140 CCCCCC(=O)CNCCO 2230a_100016997473_200012276598 [0,2,0,0,0,0|1,0,0]=3 14052 B11R0.140 CCCCCC(=O)CNCCO 34a_100016990907_200012276598 [0,2,0,0,0,0|1,0,0]=3 14053 B11R0.140 CCCCCC(=O)COCCBr 34a_100000211926_200012276598 [0,2,0,0,0,0|0,0,0]=2 14054 B11R0.140 CCCCCC(=O)COCCC 1458a_100000745993_100000210326 [0,2,0,0,0,0|0,0,0]=2 14055 B11R0.140 CCCCCC(=O)COCCC 34a_100000210258_200012276598 [0,2,0,0,0,0|0,0,0]=2 14056 B11R0.140 CCCCCC(=O)COCCN 34a_100000210304_200012276598 [0,2,0,0,0,0|0,0,0]=2 14057 B11R0.140 CCCCCC(=O)COCCO 1458a_100000708028_100000210326 [0,2,0,0,0,0|0,0,0]=2 14058 B11R0.140 CCCCCC(=O)CSCC#N 1458a_100000150266_100000210326 [0,2,0,0,0,0|0,1,1]=4 14059 B11R0.140 CCCCCC(=O)CSCC#N 62a_100011215382_200012276598 [0,2,0,0,0,0|0,1,1]=4 14060 B11R0.140 CCCCCC(=O)CSCC#N 62a_200012276598_100011215382 [0,2,0,0,0,0|0,1,1]=4 14061 B11R0.140 CCCCCC(=O)CSCC=O 62a_200012276598_200015260668 [0,2,0,0,0,0|0,1,1]=4 14062 B11R0.140 CCCCCC(=O)CSCC=O 62a_200015260668_200012276598 [0,2,0,0,0,0|0,1,1]=4 14063 B11R0.140 CCCCCC(=O)CSCCC 1458a_100000217233_100000210326 [0,2,0,0,0,0|0,1,0]=3 14064 B11R0.140 CCCCCC(=O)CSCCC 62a_100000210303_200012276598 [0,2,0,0,0,0|0,1,0]=3 14065 B11R0.140 CCCCCC(=O)CSCCC 62a_200012276598_100000210303 [0,2,0,0,0,0|0,1,0]=3 14066 B11R0.140 CCCCCC(=O)CSCCF 62a_100011217306_200012276598 [0,2,0,0,0,0|0,1,0]=3 14067 B11R0.140 CCCCCC(=O)CSCCF 62a_200012276598_100011217306 [0,2,0,0,0,0|0,1,0]=3 14068 B11R0.140 CCCCCC(=O)CSCCO 62a_100000211926_200012276598 [0,2,0,0,0,0|0,1,0]=3 14069 B11R0.140 CCCCCC(=O)CSCCO 62a_200012276598_100000211926 [0,2,0,0,0,0|0,1,0]=3 14070 B11R0.140 CCCCCC(=O)CSCOC 62a_100000766300_200012276598 [0,2,0,0,0,0|0,1,0]=3 14071 B11R0.140 CCCCCC(=O)CSCOC 62a_200012276598_100000766300 [0,2,0,0,0,0|0,1,0]=3 14072 B11R0.140 CCCCCC(=O)CSCSC 62a_100011218213_200012276598 [0,2,0,0,0,0|0,1,0]=3 14073 B11R0.140 CCCCCC(=O)CSCSC 62a_200012276598_100011218213 [0,2,0,0,0,0|0,1,0]=3 14074 B11R0.140 CCCCCC(=O)NCCC#N 11a_100000720768_100000212188 [0,2,0,0,0,0|1,0,0]=3 14075 B11R0.140 CCCCCC(=O)NCCC#N 1626a_100000720768_100000212188 [0,2,0,0,0,0|1,0,0]=3 14076 B11R0.140 CCCCCC(=O)NCCC#N 240690a_100000720768_100000212188 [0,2,0,0,0,0|1,0,0]=3 14077 B11R0.140 CCCCCC(=O)NCCC#N 527a_100000720768_100000212188 [0,2,0,0,0,0|1,0,0]=3 14078 B11R0.140 CCCCCC(=O)NCCCC 11a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 14079 B11R0.140 CCCCCC(=O)NCCCC 1626a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 14080 B11R0.140 CCCCCC(=O)NCCCC 240690a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 14081 B11R0.140 CCCCCC(=O)NCCCC 527a_100000102301_100000212188 [0,2,0,0,0,0|1,0,0]=3 14082 B11R0.140 CCCCCC(=O)NCCCF 11a_100015189416_100000212188 [0,2,0,0,0,0|1,0,0]=3 14083 B11R0.140 CCCCCC(=O)NCCCF 1626a_100015189416_100000212188 [0,2,0,0,0,0|1,0,0]=3 14084 B11R0.140 CCCCCC(=O)NCCCF 240690a_100015189416_100000212188 [0,2,0,0,0,0|1,0,0]=3 14085 B11R0.140 CCCCCC(=O)NCCCF 527a_100015189416_100000212188 [0,2,0,0,0,0|1,0,0]=3 14086 B11R0.140 CCCCCC(=O)NCCCO 240690a_100000182051_100000212188 [0,2,0,0,0,0|1,0,0]=3 14087 B11R0.140 CCCCCC(=O)NCCCO 527a_100000182051_100000212188 [0,2,0,0,0,0|1,0,0]=3 14088 B11R0.140 CCCCCC(=O)NCCOC 1626a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 14089 B11R0.140 CCCCCC(=O)NCCOC 240690a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 14090 B11R0.140 CCCCCC(=O)NCCOC 527a_100000209980_100000212188 [0,2,0,0,0,0|1,0,0]=3 14091 B11R0.140 CCCCCC(=O)NCCSC 11a_100020590264_100000212188 [0,2,0,0,0,0|1,0,0]=3 14092 B11R0.140 CCCCCC(=O)NCCSC 1626a_100020590264_100000212188 [0,2,0,0,0,0|1,0,0]=3 14093 B11R0.140 CCCCCC(=O)NCCSC 240690a_100020590264_100000212188 [0,2,0,0,0,0|1,0,0]=3 14094 B11R0.140 CCCCCC(=O)NCCSC 527a_100020590264_100000212188 [0,2,0,0,0,0|1,0,0]=3 14095 B11R0.140 CCCCCC(=O)NNCCC 22a_100000740057_100000212188 [0,2,0,0,0,0|1,0,0]=3 14096 B11R0.140 CCCCCC(=O)NNCCO 22a_100000210001_100000212188 [0,2,0,0,0,0|1,0,0]=3 14097 B11R0.140 CCCCCC(C)OCCC#N 7a_100011215632_100000184422 [0,2,0,0,0,0|1,0,1]=4 14098 B11R0.140 CCCCCC(C)OCCCBr 34a_100011217188_200011218191 [0,2,0,0,0,0|1,0,1]=4 14099 B11R0.140 CCCCCC(C)OCCCC 34a_100000210227_200011218191 [0,2,0,0,0,0|1,0,1]=4 14100 B11R0.140 CCCCCC(C)OCCCC 34a_100011215632_100000210210 [0,2,0,0,0,0|1,0,1]=4 14101 B11R0.140 CCCCCC(C)OCCCC 7a_100000210227_200011218191 [0,2,0,0,0,0|1,0,1]=4 14102 B11R0.140 CCCCCC(C)OCCCC 7a_100011215632_100000210211 [0,2,0,0,0,0|1,0,1]=4 14103 B11R0.140 CCCCCC(C)OCCCCl 34a_100000230001_200011218191 [0,2,0,0,0,0|1,0,1]=4 14104 B11R0.140 CCCCCC(C)OCCCF 34a_100000759539_200011218191 [0,2,0,0,0,0|1,0,1]=4 14105 B11R0.140 CCCCCC(C)OCCCF 34a_100011215632_100011934791 [0,2,0,0,0,0|1,0,1]=4 14106 B11R0.140 CCCCCC(C)OCCCF 7a_100011215632_100011934791 [0,2,0,0,0,0|1,0,1]=4 14107 B11R0.140 CCCCCC(C)OCCCN 34a_100000182051_200011218191 [0,2,0,0,0,0|1,0,1]=4 14108 B11R0.140 CCCCCC(C)OCCCO 34a_100011215632_100000230001 [0,2,0,0,0,0|1,0,1]=4 14109 B11R0.140 CCCCCC(C)OCCCO 7a_100011215632_100011215043 [0,2,0,0,0,0|1,0,1]=4 14110 B11R0.140 CCCCCC(C)OCCOC 34a_100000210237_200011218191 [0,2,0,0,0,0|1,0,1]=4 14111 B11R0.140 CCCCCC(C)OCCOC 34a_100011215632_100011201679 [0,2,0,0,0,0|1,0,1]=4 14112 B11R0.140 CCCCCC(C)OCCOC 7a_100011215632_100000233755 [0,2,0,0,0,0|1,0,1]=4 14113 B11R0.140 CCCCCC(C)OCCON 34a_100000700252_200011218191 [0,2,0,0,0,0|1,0,1]=4 14114 B11R0.140 CCCCCC(C)OCCSC 34a_100000230434_200011218191 [0,2,0,0,0,0|1,0,1]=4 14115 B11R0.140 CCCCCC(C)OCCSC 34a_100011215632_100000212216 [0,2,0,0,0,0|1,0,1]=4 14116 B11R0.140 CCCCCC(C)OCCSC 7a_100000230434_200011218191 [0,2,0,0,0,0|1,0,1]=4 14117 B11R0.140 CCCCCC(C)OCCSC 7a_100011215632_100000212216 [0,2,0,0,0,0|1,0,1]=4 14118 B11R0.140 CCCCCC(C)SCOCC 62a_100000739092_200011218191 [0,2,0,0,0,0|1,0,1]=4 14119 B11R0.140 CCCCCC(C)SCOCC 62a_200011218191_100000739092 [0,2,0,0,0,0|1,0,1]=4 14120 B11R0.140 CCCCCN(C)CCOCC 2230a_100000223495_100011215890 [0,2,0,0,0,0|2,0,0]=4 14121 B11R0.140 CCCCCN(C)CCOCC 269982a_100000223495_100011215890 [0,2,0,0,0,0|2,0,0]=4 14122 B11R0.140 CCCCNC(=O)C=CCOC 11a_100000102301_100016285016 [0,2,0,0,0,0|2,0,0]=4 14123 B11R0.140 CCCCNC(=O)C=CCOC 1626a_100000102301_100016285016 [0,2,0,0,0,0|2,0,0]=4 14124 B11R0.140 CCCCNC(=O)C=CCOC 240690a_100000102301_100016285016 [0,2,0,0,0,0|2,0,0]=4 14125 B11R0.140 CCCCNC(=O)C=COCC 11a_100000102301_100016266692 [0,2,0,0,0,0|1,0,0]=3 14126 B11R0.140 CCCCNC(=O)C=COCC 1626a_100000102301_100016266692 [0,2,0,0,0,0|1,0,0]=3 14127 B11R0.140 CCCCNC(=O)C=COCC 240690a_100000102301_100016266692 [0,2,0,0,0,0|1,0,0]=3 14128 B11R0.140 CCCCNC(=O)CCCC#N 11a_100000102301_100000075515 [0,2,0,0,0,0|2,0,0]=4 14129 B11R0.140 CCCCNC(=O)CCCC#N 1626a_100000102301_100000075515 [0,2,0,0,0,0|2,0,0]=4 14130 B11R0.140 CCCCNC(=O)CCCC#N 240690a_100000102301_100000075515 [0,2,0,0,0,0|2,0,0]=4 14131 B11R0.140 CCCCNC(=O)CCCC#N 527a_100000102301_100000075515 [0,2,0,0,0,0|2,0,0]=4 14132 B11R0.140 CCCCNC(=O)CCCCO 1626a_100000102301_100000695505 [0,2,0,0,0,0|2,0,0]=4 14133 B11R0.140 CCCCNC(=O)CCCOC 11a_100000102301_100000741012 [0,2,0,0,0,0|2,0,0]=4 14134 B11R0.140 CCCCNC(=O)CCCOC 1626a_100000102301_100000741012 [0,2,0,0,0,0|2,0,0]=4 14135 B11R0.140 CCCCNC(=O)CCCOC 240690a_100000102301_100000741012 [0,2,0,0,0,0|2,0,0]=4 14136 B11R0.140 CCCCNC(=O)CCCOC 527a_100000102301_100000741012 [0,2,0,0,0,0|2,0,0]=4 14137 B11R0.140 CCCCNC(=O)CCCSC 11a_100000102301_100000173376 [0,2,0,0,0,0|2,0,0]=4 14138 B11R0.140 CCCCNC(=O)CCCSC 1626a_100000102301_100000173376 [0,2,0,0,0,0|2,0,0]=4 14139 B11R0.140 CCCCNC(=O)CCCSC 240690a_100000102301_100000173376 [0,2,0,0,0,0|2,0,0]=4 14140 B11R0.140 CCCCNC(=O)CCCSC 527a_100000102301_100000173376 [0,2,0,0,0,0|2,0,0]=4 14141 B11R0.140 CCCCNC(=O)CCOCC 11a_100000102301_100000749530 [0,2,0,0,0,0|1,0,0]=3 14142 B11R0.140 CCCCNC(=O)CCOCC 1626a_100000102301_100000749530 [0,2,0,0,0,0|1,0,0]=3 14143 B11R0.140 CCCCNC(=O)CCOCC 240690a_100000102301_100000749530 [0,2,0,0,0,0|1,0,0]=3 14144 B11R0.140 CCCCNC(=O)CCOCC 527a_100000102301_100000749530 [0,2,0,0,0,0|1,0,0]=3 14145 B11R0.140 CCCCNC(=O)CCSCC 11a_100000102301_100000230768 [0,2,0,0,0,0|1,1,0]=4 14146 B11R0.140 CCCCNC(=O)CCSCC 1626a_100000102301_100000230768 [0,2,0,0,0,0|1,1,0]=4 14147 B11R0.140 CCCCNC(=O)CCSCC 240690a_100000102301_100000230768 [0,2,0,0,0,0|1,1,0]=4 14148 B11R0.140 CCCCNC(=O)CCSCC 527a_100000102301_100000230768 [0,2,0,0,0,0|1,1,0]=4 14149 B11R0.140 CCCCNC(=O)CNCCF 34a_100000724931_100000182744 [0,2,0,0,0,0|2,0,0]=4 14150 B11R0.140 CCCCNC(=O)CNCCO 2230a_100016997473_100000182744 [0,2,0,0,0,0|2,0,0]=4 14151 B11R0.140 CCCCNC(=O)CNCCO 34a_100016990907_100000182744 [0,2,0,0,0,0|2,0,0]=4 14152 B11R0.140 CCCCNC(=O)COCCBr 34a_100000211926_100000182744 [0,2,0,0,0,0|1,0,0]=3 14153 B11R0.140 CCCCNC(=O)COCCC 11a_100000102301_100000745993 [0,2,0,0,0,0|1,0,0]=3 14154 B11R0.140 CCCCNC(=O)COCCC 1626a_100000102301_100000745993 [0,2,0,0,0,0|1,0,0]=3 14155 B11R0.140 CCCCNC(=O)COCCC 240690a_100000102301_100000745993 [0,2,0,0,0,0|1,0,0]=3 14156 B11R0.140 CCCCNC(=O)COCCC 34a_100000210258_100000182744 [0,2,0,0,0,0|1,0,0]=3 14157 B11R0.140 CCCCNC(=O)COCCC 527a_100000102301_100000745993 [0,2,0,0,0,0|1,0,0]=3 14158 B11R0.140 CCCCNC(=O)COCCN 34a_100000210304_100000182744 [0,2,0,0,0,0|1,0,0]=3 14159 B11R0.140 CCCCNC(=O)COCCO 1626a_100000102301_100000708028 [0,2,0,0,0,0|1,0,0]=3 14160 B11R0.140 CCCCNC(=O)COCCO 240690a_100000102301_100000708028 [0,2,0,0,0,0|1,0,0]=3 14161 B11R0.140 CCCCNC(=O)CSCCC 11a_100000102301_100000217233 [0,2,0,0,0,0|1,1,0]=4 14162 B11R0.140 CCCCNC(=O)CSCCC 1626a_100000102301_100000217233 [0,2,0,0,0,0|1,1,0]=4 14163 B11R0.140 CCCCNC(=O)CSCCC 240690a_100000102301_100000217233 [0,2,0,0,0,0|1,1,0]=4 14164 B11R0.140 CCCCNC(=O)CSCCC 527a_100000102301_100000217233 [0,2,0,0,0,0|1,1,0]=4 14165 B11R0.140 CCCCNC(=O)CSCCC 62a_100000182744_100000210303 [0,2,0,0,0,0|1,1,0]=4 14166 B11R0.140 CCCCNC(=O)CSCCC 62a_100000210303_100000182744 [0,2,0,0,0,0|1,1,0]=4 14167 B11R0.140 CCCCNC(=O)CSCCF 62a_100000182744_100011217306 [0,2,0,0,0,0|1,1,0]=4 14168 B11R0.140 CCCCNC(=O)CSCCF 62a_100011217306_100000182744 [0,2,0,0,0,0|1,1,0]=4 14169 B11R0.140 CCCCNC(=O)CSCCO 62a_100000182744_100000211926 [0,2,0,0,0,0|1,1,0]=4 14170 B11R0.140 CCCCNC(=O)CSCCO 62a_100000211926_100000182744 [0,2,0,0,0,0|1,1,0]=4 14171 B11R0.140 CCCCNC(=O)CSCOC 62a_100000182744_100000766300 [0,2,0,0,0,0|1,1,0]=4 14172 B11R0.140 CCCCNC(=O)CSCOC 62a_100000766300_100000182744 [0,2,0,0,0,0|1,1,0]=4 14173 B11R0.140 CCCCNC(=O)CSCSC 62a_100000182744_100011218213 [0,2,0,0,0,0|1,1,0]=4 14174 B11R0.140 CCCCNC(=O)CSCSC 62a_100011218213_100000182744 [0,2,0,0,0,0|1,1,0]=4 14175 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000102301_100000720768 [0,2,0,0,0,0|2,0,0]=4 14176 B11R0.140 CCCCNC(=O)NCCC#N 2708a_100000720768_100000102301 [0,2,0,0,0,0|2,0,0]=4 14177 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000102301_100000720768 [0,2,0,0,0,0|2,0,0]=4 14178 B11R0.140 CCCCNC(=O)NCCC#N 273464a_100000720768_100000102301 [0,2,0,0,0,0|2,0,0]=4 14179 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000102301_100000720768 [0,2,0,0,0,0|2,0,0]=4 14180 B11R0.140 CCCCNC(=O)NCCC#N 512a_100000720768_100000102301 [0,2,0,0,0,0|2,0,0]=4 14181 B11R0.140 CCCCNC(=O)NCCCC 2708a_100000102301_100000102301 [0,2,0,0,0,0|2,0,0]=4 14182 B11R0.140 CCCCNC(=O)NCCCC 273464a_100000102301_100000102301 [0,2,0,0,0,0|2,0,0]=4 14183 B11R0.140 CCCCNC(=O)NCCCC 512a_100000102301_100000102301 [0,2,0,0,0,0|2,0,0]=4 14184 B11R0.140 CCCCNC(=O)NCCCF 2708a_100000102301_100015189416 [0,2,0,0,0,0|2,0,0]=4 14185 B11R0.140 CCCCNC(=O)NCCCF 2708a_100015189416_100000102301 [0,2,0,0,0,0|2,0,0]=4 14186 B11R0.140 CCCCNC(=O)NCCCF 273464a_100000102301_100015189416 [0,2,0,0,0,0|2,0,0]=4 14187 B11R0.140 CCCCNC(=O)NCCCF 273464a_100015189416_100000102301 [0,2,0,0,0,0|2,0,0]=4 14188 B11R0.140 CCCCNC(=O)NCCCF 512a_100000102301_100015189416 [0,2,0,0,0,0|2,0,0]=4 14189 B11R0.140 CCCCNC(=O)NCCCF 512a_100015189416_100000102301 [0,2,0,0,0,0|2,0,0]=4 14190 B11R0.140 CCCCNC(=O)NCCCO 2708a_100000102301_100000182051 [0,2,0,0,0,0|2,0,0]=4 14191 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000102301_100000182051 [0,2,0,0,0,0|2,0,0]=4 14192 B11R0.140 CCCCNC(=O)NCCCO 273464a_100000182051_100000102301 [0,2,0,0,0,0|2,0,0]=4 14193 B11R0.140 CCCCNC(=O)NCCCO 512a_100000102301_100000182051 [0,2,0,0,0,0|2,0,0]=4 14194 B11R0.140 CCCCNC(=O)NCCOC 2708a_100000102301_100000209980 [0,2,0,0,0,0|2,0,0]=4 14195 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000102301_100000209980 [0,2,0,0,0,0|2,0,0]=4 14196 B11R0.140 CCCCNC(=O)NCCOC 273464a_100000209980_100000102301 [0,2,0,0,0,0|2,0,0]=4 14197 B11R0.140 CCCCNC(=O)NCCSC 2708a_100000102301_100020590264 [0,2,0,0,0,0|2,0,0]=4 14198 B11R0.140 CCCCNC(=O)NCCSC 2708a_100020590264_100000102301 [0,2,0,0,0,0|2,0,0]=4 14199 B11R0.140 CCCCNC(=O)NCCSC 273464a_100000102301_100020590264 [0,2,0,0,0,0|2,0,0]=4 14200 B11R0.140 CCCCNC(=O)NCCSC 273464a_100020590264_100000102301 [0,2,0,0,0,0|2,0,0]=4 14201 B11R0.140 CCCCNC(=O)NCCSC 512a_100000102301_100020590264 [0,2,0,0,0,0|2,0,0]=4 14202 B11R0.140 CCCCNC(=O)NCCSC 512a_100020590264_100000102301 [0,2,0,0,0,0|2,0,0]=4 14203 B11R0.140 CCCCNC(=O)NNCCC 273464a_100000102301_100000740057 [0,2,0,0,0,0|2,0,0]=4 14204 B11R0.140 CCCCNC(=O)NNCCC 512a_100000102301_100000740057 [0,2,0,0,0,0|2,0,0]=4 14205 B11R0.140 CCCCNC(=O)NNCCC 512a_100000740057_100000102301 [0,2,0,0,0,0|2,0,0]=4 14206 B11R0.140 CCCCNC(=O)NNCCO 273464a_100000102301_100000210001 [0,2,0,0,0,0|2,0,0]=4 14207 B11R0.140 CCCCNC(=O)NNCCO 512a_100000102301_100000210001 [0,2,0,0,0,0|2,0,0]=4 14208 B11R0.140 CCCCOC(=O)CNCCF 34a_100000724931_100000211628 [0,2,0,0,0,0|2,0,0]=4 14209 B11R0.140 CCCCOC(=O)CNCCO 2230a_100016997473_100000211628 [0,2,0,0,0,0|2,0,0]=4 14210 B11R0.140 CCCCOC(=O)CNCCO 34a_100016990907_100000211628 [0,2,0,0,0,0|2,0,0]=4 14211 B11R0.140 CCCCOC(=O)COCCBr 34a_100000211926_100000211628 [0,2,0,0,0,0|1,0,0]=3 14212 B11R0.140 CCCCOC(=O)COCCC 34a_100000210258_100000211628 [0,2,0,0,0,0|1,0,0]=3 14213 B11R0.140 CCCCOC(=O)COCCN 34a_100000210304_100000211628 [0,2,0,0,0,0|1,0,0]=3 14214 B11R0.140 CCCCOC(=O)CSCCC 62a_100000210303_100000211628 [0,2,0,0,0,0|1,0,0]=3 14215 B11R0.140 CCCCOC(=O)CSCCC 62a_100000211628_100000210303 [0,2,0,0,0,0|1,0,0]=3 14216 B11R0.140 CCCCOC(=O)CSCCF 62a_100000211628_100011217306 [0,2,0,0,0,0|1,1,0]=4 14217 B11R0.140 CCCCOC(=O)CSCCF 62a_100011217306_100000211628 [0,2,0,0,0,0|1,1,0]=4 14218 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211628_100000211926 [0,2,0,0,0,0|1,1,0]=4 14219 B11R0.140 CCCCOC(=O)CSCCO 62a_100000211926_100000211628 [0,2,0,0,0,0|1,1,0]=4 14220 B11R0.140 CCCCOC(=O)CSCOC 62a_100000211628_100000766300 [0,2,0,0,0,0|1,1,0]=4 14221 B11R0.140 CCCCOC(=O)CSCOC 62a_100000766300_100000211628 [0,2,0,0,0,0|1,1,0]=4 14222 B11R0.140 CCCCOC(=O)CSCSC 62a_100000211628_100011218213 [0,2,0,0,0,0|1,1,0]=4 14223 B11R0.140 CCCCOC(=O)CSCSC 62a_100011218213_100000211628 [0,2,0,0,0,0|1,1,0]=4 14224 B11R0.140 CCCNCC(=O)NCCOC 2230a_100000754632_100000210303 [0,2,0,0,0,0|2,0,0]=4 14225 B11R0.140 CCCNNC(=O)C=COCC 22a_100000740057_100016266692 [0,2,0,0,0,0|2,0,0]=4 14226 B11R0.140 CCCNNC(=O)CCCOC 22a_100000740057_100000741012 [0,2,0,0,0,0|2,0,0]=4 14227 B11R0.140 CCCNNC(=O)CCCSC 22a_100000740057_100000173376 [0,2,0,0,0,0|2,0,0]=4 14228 B11R0.140 CCCNNC(=O)CCOCC 22a_100000740057_100000749530 [0,2,0,0,0,0|2,0,0]=4 14229 B11R0.140 CCCNNC(=O)CCSCC 22a_100000740057_100000230768 [0,2,0,0,0,0|2,0,0]=4 14230 B11R0.140 CCCNNC(=O)COCCC 22a_100000740057_100000745993 [0,2,0,0,0,0|2,0,0]=4 14231 B11R0.140 CCCNNC(=O)CSCCC 22a_100000740057_100000217233 [0,2,0,0,0,0|2,0,0]=4 14232 B11R0.140 CCCOCC(=O)CCCC#N 1458a_100000745993_100000211468 [0,2,0,0,0,0|1,0,1]=4 14233 B11R0.140 CCCOCC(=O)CCCCF 1458a_100000745993_100000729493 [0,2,0,0,0,0|1,0,0]=3 14234 B11R0.140 CCCOCC(=O)CCCCO 1458a_100000745993_100000210776 [0,2,0,0,0,0|1,0,0]=3 14235 B11R0.140 CCCOCC(=O)CCCOC 1458a_100000745993_100000740836 [0,2,0,0,0,0|1,0,0]=3 14236 B11R0.140 CCCOCC(=O)CCOCC 1458a_100000745993_100011215890 [0,2,0,0,0,0|1,0,0]=3 14237 B11R0.140 CCCOCC(=O)CCSCC 1458a_100000745993_100000757381 [0,2,0,0,0,0|1,0,0]=3 14238 B11R0.140 CCCOCC(=O)NCCC#N 11a_100000720768_100000745993 [0,2,0,0,0,0|2,0,0]=4 14239 B11R0.140 CCCOCC(=O)NCCC#N 1626a_100000720768_100000745993 [0,2,0,0,0,0|2,0,0]=4 14240 B11R0.140 CCCOCC(=O)NCCC#N 240690a_100000720768_100000745993 [0,2,0,0,0,0|2,0,0]=4 14241 B11R0.140 CCCOCC(=O)NCCC#N 527a_100000720768_100000745993 [0,2,0,0,0,0|2,0,0]=4 14242 B11R0.140 CCCOCC(=O)NCCCF 11a_100015189416_100000745993 [0,2,0,0,0,0|2,0,0]=4 14243 B11R0.140 CCCOCC(=O)NCCCF 1626a_100015189416_100000745993 [0,2,0,0,0,0|2,0,0]=4 14244 B11R0.140 CCCOCC(=O)NCCCF 240690a_100015189416_100000745993 [0,2,0,0,0,0|2,0,0]=4 14245 B11R0.140 CCCOCC(=O)NCCCF 527a_100015189416_100000745993 [0,2,0,0,0,0|2,0,0]=4 14246 B11R0.140 CCCOCC(=O)NCCCO 240690a_100000182051_100000745993 [0,2,0,0,0,0|2,0,0]=4 14247 B11R0.140 CCCOCC(=O)NCCCO 527a_100000182051_100000745993 [0,2,0,0,0,0|2,0,0]=4 14248 B11R0.140 CCCOCC(=O)NCCOC 1626a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 14249 B11R0.140 CCCOCC(=O)NCCOC 240690a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 14250 B11R0.140 CCCOCC(=O)NCCOC 34a_100000210258_100000183275 [0,2,0,0,0,0|2,0,0]=4 14251 B11R0.140 CCCOCC(=O)NCCOC 527a_100000209980_100000745993 [0,2,0,0,0,0|2,0,0]=4 14252 B11R0.140 CCCOCC(=O)NCCSC 11a_100020590264_100000745993 [0,2,0,0,0,0|2,0,0]=4 14253 B11R0.140 CCCOCC(=O)NCCSC 1626a_100020590264_100000745993 [0,2,0,0,0,0|2,0,0]=4 14254 B11R0.140 CCCOCC(=O)NCCSC 240690a_100020590264_100000745993 [0,2,0,0,0,0|2,0,0]=4 14255 B11R0.140 CCCOCC(=O)NCCSC 527a_100020590264_100000745993 [0,2,0,0,0,0|2,0,0]=4 14256 B11R0.140 CCCOCC(=O)NNCCO 22a_100000210001_100000745993 [0,2,0,0,0,0|2,0,0]=4 14257 B11R0.140 CCCOCC(=O)OCCOC 34a_100000210258_200000040189 [0,2,0,0,0,0|1,0,0]=3 14258 B11R0.140 CCCSCC(=O)CCCC#N 1458a_100000217233_100000211468 [0,2,0,0,0,0|2,0,0]=4 14259 B11R0.140 CCCSCC(=O)CCCCF 1458a_100000217233_100000729493 [0,2,0,0,0,0|1,1,0]=4 14260 B11R0.140 CCCSCC(=O)CCCCO 1458a_100000217233_100000210776 [0,2,0,0,0,0|1,1,0]=4 14261 B11R0.140 CCCSCC(=O)CCCOC 1458a_100000217233_100000740836 [0,2,0,0,0,0|1,1,0]=4 14262 B11R0.140 CCCSCC(=O)CCOCC 1458a_100000217233_100011215890 [0,2,0,0,0,0|1,0,0]=3 14263 B11R0.140 CCCSCC(=O)CCSCC 1458a_100000217233_100000757381 [0,2,0,0,0,0|1,1,0]=4 14264 B11R0.140 CCCSCC(=O)NCCC#N 11a_100000720768_100000217233 [0,2,0,0,0,0|2,0,0]=4 14265 B11R0.140 CCCSCC(=O)NCCC#N 1626a_100000720768_100000217233 [0,2,0,0,0,0|2,0,0]=4 14266 B11R0.140 CCCSCC(=O)NCCC#N 240690a_100000720768_100000217233 [0,2,0,0,0,0|2,0,0]=4 14267 B11R0.140 CCCSCC(=O)NCCC#N 527a_100000720768_100000217233 [0,2,0,0,0,0|2,0,0]=4 14268 B11R0.140 CCCSCC(=O)NCCCF 11a_100015189416_100000217233 [0,2,0,0,0,0|2,0,0]=4 14269 B11R0.140 CCCSCC(=O)NCCCF 1626a_100015189416_100000217233 [0,2,0,0,0,0|2,0,0]=4 14270 B11R0.140 CCCSCC(=O)NCCCF 240690a_100015189416_100000217233 [0,2,0,0,0,0|2,0,0]=4 14271 B11R0.140 CCCSCC(=O)NCCCF 527a_100015189416_100000217233 [0,2,0,0,0,0|2,0,0]=4 14272 B11R0.140 CCCSCC(=O)NCCCO 240690a_100000182051_100000217233 [0,2,0,0,0,0|2,0,0]=4 14273 B11R0.140 CCCSCC(=O)NCCCO 527a_100000182051_100000217233 [0,2,0,0,0,0|2,0,0]=4 14274 B11R0.140 CCCSCC(=O)NCCOC 1626a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 14275 B11R0.140 CCCSCC(=O)NCCOC 240690a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 14276 B11R0.140 CCCSCC(=O)NCCOC 527a_100000209980_100000217233 [0,2,0,0,0,0|2,0,0]=4 14277 B11R0.140 CCCSCC(=O)NCCOC 62a_100000183275_100000210303 [0,2,0,0,0,0|2,0,0]=4 14278 B11R0.140 CCCSCC(=O)NCCOC 62a_100000210303_100000183275 [0,2,0,0,0,0|2,0,0]=4 14279 B11R0.140 CCCSCC(=O)NCCSC 11a_100020590264_100000217233 [0,2,0,0,0,0|2,0,0]=4 14280 B11R0.140 CCCSCC(=O)NCCSC 1626a_100020590264_100000217233 [0,2,0,0,0,0|2,0,0]=4 14281 B11R0.140 CCCSCC(=O)NCCSC 240690a_100020590264_100000217233 [0,2,0,0,0,0|2,0,0]=4 14282 B11R0.140 CCCSCC(=O)NCCSC 527a_100020590264_100000217233 [0,2,0,0,0,0|2,0,0]=4 14283 B11R0.140 CCCSCC(=O)NNCCO 22a_100000210001_100000217233 [0,2,0,0,0,0|2,0,0]=4 14284 B11R0.140 CCCSCC(=O)OCCOC 62a_100000210303_200000040189 [0,2,0,0,0,0|1,0,0]=3 14285 B11R0.140 CCCSCC(=O)OCCOC 62a_200000040189_100000210303 [0,2,0,0,0,0|1,0,0]=3 14286 B11R0.140 CCOC=CC(=O)CCCC#N 1458a_100016266692_100000211468 [0,2,0,0,0,0|1,0,1]=4 14287 B11R0.140 CCOC=CC(=O)CCCCF 1458a_100016266692_100000729493 [0,2,0,0,0,0|1,0,0]=3 14288 B11R0.140 CCOC=CC(=O)CCCCO 1458a_100016266692_100000210776 [0,2,0,0,0,0|1,0,0]=3 14289 B11R0.140 CCOC=CC(=O)CCCOC 1458a_100016266692_100000740836 [0,2,0,0,0,0|1,0,0]=3 14290 B11R0.140 CCOC=CC(=O)CCOCC 1458a_100016266692_100011215890 [0,2,0,0,0,0|1,0,0]=3 14291 B11R0.140 CCOC=CC(=O)CCSCC 1458a_100016266692_100000757381 [0,2,0,0,0,0|1,0,0]=3 14292 B11R0.140 CCOC=CC(=O)NCCCF 11a_100015189416_100016266692 [0,2,0,0,0,0|2,0,0]=4 14293 B11R0.140 CCOC=CC(=O)NCCCF 1626a_100015189416_100016266692 [0,2,0,0,0,0|2,0,0]=4 14294 B11R0.140 CCOC=CC(=O)NCCCF 240690a_100015189416_100016266692 [0,2,0,0,0,0|2,0,0]=4 14295 B11R0.140 CCOC=CC(=O)NCCCO 240690a_100000182051_100016266692 [0,2,0,0,0,0|2,0,0]=4 14296 B11R0.140 CCOC=CC(=O)NCCOC 1626a_100000209980_100016266692 [0,2,0,0,0,0|2,0,0]=4 14297 B11R0.140 CCOC=CC(=O)NCCOC 240690a_100000209980_100016266692 [0,2,0,0,0,0|2,0,0]=4 14298 B11R0.140 CCOC=CC(=O)NCCSC 11a_100020590264_100016266692 [0,2,0,0,0,0|2,0,0]=4 14299 B11R0.140 CCOC=CC(=O)NCCSC 1626a_100020590264_100016266692 [0,2,0,0,0,0|2,0,0]=4 14300 B11R0.140 CCOC=CC(=O)NCCSC 240690a_100020590264_100016266692 [0,2,0,0,0,0|2,0,0]=4 14301 B11R0.140 CCOCCC(=O)C=CCOC 1458a_100016285016_100011215890 [0,2,0,0,0,0|2,0,0]=4 14302 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000075515_100011215890 [0,2,0,0,0,0|1,0,1]=4 14303 B11R0.140 CCOCCC(=O)CCCC#N 1458a_100000749530_100000211468 [0,2,0,0,0,0|1,0,1]=4 14304 B11R0.140 CCOCCC(=O)CCCCF 1458a_100000749530_100000729493 [0,2,0,0,0,0|1,0,0]=3 14305 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000695505_100011215890 [0,2,0,0,0,0|1,0,0]=3 14306 B11R0.140 CCOCCC(=O)CCCCO 1458a_100000749530_100000210776 [0,2,0,0,0,0|1,0,0]=3 14307 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000741012_100011215890 [0,2,0,0,0,0|1,0,0]=3 14308 B11R0.140 CCOCCC(=O)CCCOC 1458a_100000749530_100000740836 [0,2,0,0,0,0|1,0,0]=3 14309 B11R0.140 CCOCCC(=O)CCCSC 1458a_100000173376_100011215890 [0,2,0,0,0,0|1,0,0]=3 14310 B11R0.140 CCOCCC(=O)CCOCC 1458a_100000749530_100011215890 [0,2,0,0,0,0|1,0,0]=3 14311 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000230768_100011215890 [0,2,0,0,0,0|1,0,0]=3 14312 B11R0.140 CCOCCC(=O)CCSCC 1458a_100000749530_100000757381 [0,2,0,0,0,0|1,0,0]=3 14313 B11R0.140 CCOCCC(=O)COCCO 1458a_100000708028_100011215890 [0,2,0,0,0,0|1,0,0]=3 14314 B11R0.140 CCOCCC(=O)NCCC#N 11a_100000720768_100000749530 [0,2,0,0,0,0|2,0,0]=4 14315 B11R0.140 CCOCCC(=O)NCCC#N 1626a_100000720768_100000749530 [0,2,0,0,0,0|2,0,0]=4 14316 B11R0.140 CCOCCC(=O)NCCC#N 240690a_100000720768_100000749530 [0,2,0,0,0,0|2,0,0]=4 14317 B11R0.140 CCOCCC(=O)NCCC#N 527a_100000720768_100000749530 [0,2,0,0,0,0|2,0,0]=4 14318 B11R0.140 CCOCCC(=O)NCCCF 11a_100015189416_100000749530 [0,2,0,0,0,0|2,0,0]=4 14319 B11R0.140 CCOCCC(=O)NCCCF 1626a_100015189416_100000749530 [0,2,0,0,0,0|2,0,0]=4 14320 B11R0.140 CCOCCC(=O)NCCCF 240690a_100015189416_100000749530 [0,2,0,0,0,0|2,0,0]=4 14321 B11R0.140 CCOCCC(=O)NCCCF 527a_100015189416_100000749530 [0,2,0,0,0,0|2,0,0]=4 14322 B11R0.140 CCOCCC(=O)NCCCO 240690a_100000182051_100000749530 [0,2,0,0,0,0|2,0,0]=4 14323 B11R0.140 CCOCCC(=O)NCCCO 527a_100000182051_100000749530 [0,2,0,0,0,0|2,0,0]=4 14324 B11R0.140 CCOCCC(=O)NCCOC 1626a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 14325 B11R0.140 CCOCCC(=O)NCCOC 240690a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 14326 B11R0.140 CCOCCC(=O)NCCOC 527a_100000209980_100000749530 [0,2,0,0,0,0|2,0,0]=4 14327 B11R0.140 CCOCCC(=O)NCCSC 11a_100020590264_100000749530 [0,2,0,0,0,0|2,0,0]=4 14328 B11R0.140 CCOCCC(=O)NCCSC 1626a_100020590264_100000749530 [0,2,0,0,0,0|2,0,0]=4 14329 B11R0.140 CCOCCC(=O)NCCSC 240690a_100020590264_100000749530 [0,2,0,0,0,0|2,0,0]=4 14330 B11R0.140 CCOCCC(=O)NCCSC 527a_100020590264_100000749530 [0,2,0,0,0,0|2,0,0]=4 14331 B11R0.140 CCOCCC(=O)NNCCO 22a_100000210001_100000749530 [0,2,0,0,0,0|2,0,0]=4 14332 B11R0.140 CCSCCC(=O)C=CCOC 1458a_100016285016_100000757381 [0,2,0,0,0,0|2,0,0]=4 14333 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000075515_100000757381 [0,2,0,0,0,0|2,0,0]=4 14334 B11R0.140 CCSCCC(=O)CCCC#N 1458a_100000230768_100000211468 [0,2,0,0,0,0|2,0,0]=4 14335 B11R0.140 CCSCCC(=O)CCCCF 1458a_100000230768_100000729493 [0,2,0,0,0,0|1,1,0]=4 14336 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000230768_100000210776 [0,2,0,0,0,0|1,1,0]=4 14337 B11R0.140 CCSCCC(=O)CCCCO 1458a_100000695505_100000757381 [0,2,0,0,0,0|1,1,0]=4 14338 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000230768_100000740836 [0,2,0,0,0,0|1,1,0]=4 14339 B11R0.140 CCSCCC(=O)CCCOC 1458a_100000741012_100000757381 [0,2,0,0,0,0|1,1,0]=4 14340 B11R0.140 CCSCCC(=O)CCCSC 1458a_100000173376_100000757381 [0,2,0,0,0,0|1,1,0]=4 14341 B11R0.140 CCSCCC(=O)CCSCC 1458a_100000230768_100000757381 [0,2,0,0,0,0|1,1,0]=4 14342 B11R0.140 CCSCCC(=O)COCCO 1458a_100000708028_100000757381 [0,2,0,0,0,0|1,0,0]=3 14343 B11R0.140 CCSCCC(=O)NCCC#N 11a_100000720768_100000230768 [0,2,0,0,0,0|2,0,0]=4 14344 B11R0.140 CCSCCC(=O)NCCC#N 1626a_100000720768_100000230768 [0,2,0,0,0,0|2,0,0]=4 14345 B11R0.140 CCSCCC(=O)NCCC#N 240690a_100000720768_100000230768 [0,2,0,0,0,0|2,0,0]=4 14346 B11R0.140 CCSCCC(=O)NCCC#N 527a_100000720768_100000230768 [0,2,0,0,0,0|2,0,0]=4 14347 B11R0.140 CCSCCC(=O)NCCCF 11a_100015189416_100000230768 [0,2,0,0,0,0|2,0,0]=4 14348 B11R0.140 CCSCCC(=O)NCCCF 1626a_100015189416_100000230768 [0,2,0,0,0,0|2,0,0]=4 14349 B11R0.140 CCSCCC(=O)NCCCF 240690a_100015189416_100000230768 [0,2,0,0,0,0|2,0,0]=4 14350 B11R0.140 CCSCCC(=O)NCCCF 527a_100015189416_100000230768 [0,2,0,0,0,0|2,0,0]=4 14351 B11R0.140 CCSCCC(=O)NCCCO 240690a_100000182051_100000230768 [0,2,0,0,0,0|2,0,0]=4 14352 B11R0.140 CCSCCC(=O)NCCCO 527a_100000182051_100000230768 [0,2,0,0,0,0|2,0,0]=4 14353 B11R0.140 CCSCCC(=O)NCCOC 1626a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 14354 B11R0.140 CCSCCC(=O)NCCOC 240690a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 14355 B11R0.140 CCSCCC(=O)NCCOC 527a_100000209980_100000230768 [0,2,0,0,0,0|2,0,0]=4 14356 B11R0.140 CCSCCC(=O)NCCSC 11a_100020590264_100000230768 [0,2,0,0,0,0|2,0,0]=4 14357 B11R0.140 CCSCCC(=O)NCCSC 1626a_100020590264_100000230768 [0,2,0,0,0,0|2,0,0]=4 14358 B11R0.140 CCSCCC(=O)NCCSC 240690a_100020590264_100000230768 [0,2,0,0,0,0|2,0,0]=4 14359 B11R0.140 CCSCCC(=O)NCCSC 527a_100020590264_100000230768 [0,2,0,0,0,0|2,0,0]=4 14360 B11R0.140 CCSCCC(=O)NNCCO 22a_100000210001_100000230768 [0,2,0,0,0,0|2,0,0]=4 14361 B11R0.140 COCC=CC(=O)CCCCF 1458a_100016285016_100000729493 [0,2,0,0,0,0|2,0,0]=4 14362 B11R0.140 COCC=CC(=O)CCCCO 1458a_100016285016_100000210776 [0,2,0,0,0,0|2,0,0]=4 14363 B11R0.140 COCC=CC(=O)CCCOC 1458a_100016285016_100000740836 [0,2,0,0,0,0|2,0,0]=4 14364 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000075515_100000740836 [0,2,0,0,0,0|2,0,0]=4 14365 B11R0.140 COCCCC(=O)CCCC#N 1458a_100000741012_100000211468 [0,2,0,0,0,0|2,0,0]=4 14366 B11R0.140 COCCCC(=O)CCCCF 1458a_100000741012_100000729493 [0,2,0,0,0,0|2,0,0]=4 14367 B11R0.140 COCCCC(=O)CCCCO 1458a_100000695505_100000740836 [0,2,0,0,0,0|2,0,0]=4 14368 B11R0.140 COCCCC(=O)CCCCO 1458a_100000741012_100000210776 [0,2,0,0,0,0|2,0,0]=4 14369 B11R0.140 COCCCC(=O)CCCOC 1458a_100000741012_100000740836 [0,2,0,0,0,0|2,0,0]=4 14370 B11R0.140 COCCCC(=O)CCCSC 1458a_100000173376_100000740836 [0,2,0,0,0,0|2,0,0]=4 14371 B11R0.140 COCCCC(=O)COCCO 1458a_100000708028_100000740836 [0,2,0,0,0,0|1,0,0]=3 14372 B11R0.140 COCCCC(=O)NCCC#N 11a_100000720768_100000741012 [0,2,0,0,0,0|2,0,0]=4 14373 B11R0.140 COCCCC(=O)NCCC#N 1626a_100000720768_100000741012 [0,2,0,0,0,0|2,0,0]=4 14374 B11R0.140 COCCCC(=O)NCCC#N 240690a_100000720768_100000741012 [0,2,0,0,0,0|2,0,0]=4 14375 B11R0.140 COCCCC(=O)NCCC#N 527a_100000720768_100000741012 [0,2,0,0,0,0|2,0,0]=4 14376 B11R0.140 COCCCC(=O)NCCCF 11a_100015189416_100000741012 [0,2,0,0,0,0|2,0,0]=4 14377 B11R0.140 COCCCC(=O)NCCCF 1626a_100015189416_100000741012 [0,2,0,0,0,0|2,0,0]=4 14378 B11R0.140 COCCCC(=O)NCCCF 240690a_100015189416_100000741012 [0,2,0,0,0,0|2,0,0]=4 14379 B11R0.140 COCCCC(=O)NCCCF 527a_100015189416_100000741012 [0,2,0,0,0,0|2,0,0]=4 14380 B11R0.140 COCCCC(=O)NCCCO 240690a_100000182051_100000741012 [0,2,0,0,0,0|2,0,0]=4 14381 B11R0.140 COCCCC(=O)NCCCO 527a_100000182051_100000741012 [0,2,0,0,0,0|2,0,0]=4 14382 B11R0.140 COCCCC(=O)NCCOC 1626a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 14383 B11R0.140 COCCCC(=O)NCCOC 240690a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 14384 B11R0.140 COCCCC(=O)NCCOC 527a_100000209980_100000741012 [0,2,0,0,0,0|2,0,0]=4 14385 B11R0.140 COCCCC(=O)NCCSC 11a_100020590264_100000741012 [0,2,0,0,0,0|2,0,0]=4 14386 B11R0.140 COCCCC(=O)NCCSC 1626a_100020590264_100000741012 [0,2,0,0,0,0|2,0,0]=4 14387 B11R0.140 COCCCC(=O)NCCSC 240690a_100020590264_100000741012 [0,2,0,0,0,0|2,0,0]=4 14388 B11R0.140 COCCCC(=O)NCCSC 527a_100020590264_100000741012 [0,2,0,0,0,0|2,0,0]=4 14389 B11R0.140 COCCCC(=O)NNCCO 22a_100000210001_100000741012 [0,2,0,0,0,0|2,0,0]=4 14390 B11R0.140 COCCNC(=O)CCCCO 1626a_100000209980_100000695505 [0,2,0,0,0,0|2,0,0]=4 14391 B11R0.140 COCCNC(=O)CCCSC 1626a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 14392 B11R0.140 COCCNC(=O)CCCSC 240690a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 14393 B11R0.140 COCCNC(=O)CCCSC 527a_100000209980_100000173376 [0,2,0,0,0,0|2,0,0]=4 14394 B11R0.140 COCCNC(=O)COCCBr 34a_100000211926_100000183275 [0,2,0,0,0,0|2,0,0]=4 14395 B11R0.140 COCCNC(=O)COCCN 34a_100000210304_100000183275 [0,2,0,0,0,0|2,0,0]=4 14396 B11R0.140 COCCNC(=O)COCCO 1626a_100000209980_100000708028 [0,2,0,0,0,0|2,0,0]=4 14397 B11R0.140 COCCNC(=O)COCCO 240690a_100000209980_100000708028 [0,2,0,0,0,0|2,0,0]=4 14398 B11R0.140 COCCOC(=O)CNCCF 34a_100000724931_200000040189 [0,2,0,0,0,0|2,0,0]=4 14399 B11R0.140 COCCOC(=O)CNCCO 2230a_100016997473_200000040189 [0,2,0,0,0,0|2,0,0]=4 14400 B11R0.140 COCCOC(=O)CNCCO 34a_100016990907_200000040189 [0,2,0,0,0,0|2,0,0]=4 14401 B11R0.140 COCCOC(=O)COCCBr 34a_100000211926_200000040189 [0,2,0,0,0,0|2,0,0]=4 14402 B11R0.140 COCCOC(=O)COCCN 34a_100000210304_200000040189 [0,2,0,0,0,0|2,0,0]=4 14403 B11R0.140 COCCOC(=O)CSCCF 62a_100011217306_200000040189 [0,2,0,0,0,0|2,0,0]=4 14404 B11R0.140 COCCOC(=O)CSCCF 62a_200000040189_100011217306 [0,2,0,0,0,0|2,0,0]=4 14405 B11R0.140 COCCOC(=O)CSCCO 62a_100000211926_200000040189 [0,2,0,0,0,0|2,0,0]=4 14406 B11R0.140 COCCOC(=O)CSCCO 62a_200000040189_100000211926 [0,2,0,0,0,0|2,0,0]=4 14407 B11R0.140 COCCOC(=O)CSCOC 62a_100000766300_200000040189 [0,2,0,0,0,0|2,0,0]=4 14408 B11R0.140 COCCOC(=O)CSCOC 62a_200000040189_100000766300 [0,2,0,0,0,0|2,0,0]=4 14409 B11R0.140 COCCOC(=O)CSCSC 62a_100011218213_200000040189 [0,2,0,0,0,0|2,0,0]=4 14410 B11R0.140 COCCOC(=O)CSCSC 62a_200000040189_100011218213 [0,2,0,0,0,0|2,0,0]=4 14411 B11R0.140 CSCCCC(=O)CCCC#N 1458a_100000173376_100000211468 [0,2,0,0,0,0|2,0,0]=4 14412 B11R0.140 CSCCCC(=O)CCCCF 1458a_100000173376_100000729493 [0,2,0,0,0,0|2,0,0]=4 14413 B11R0.140 CSCCCC(=O)CCCCO 1458a_100000173376_100000210776 [0,2,0,0,0,0|2,0,0]=4 14414 B11R0.140 CSCCCC(=O)NCCC#N 11a_100000720768_100000173376 [0,2,0,0,0,0|2,0,0]=4 14415 B11R0.140 CSCCCC(=O)NCCC#N 1626a_100000720768_100000173376 [0,2,0,0,0,0|2,0,0]=4 14416 B11R0.140 CSCCCC(=O)NCCC#N 240690a_100000720768_100000173376 [0,2,0,0,0,0|2,0,0]=4 14417 B11R0.140 CSCCCC(=O)NCCC#N 527a_100000720768_100000173376 [0,2,0,0,0,0|2,0,0]=4 14418 B11R0.140 CSCCCC(=O)NCCCF 11a_100015189416_100000173376 [0,2,0,0,0,0|2,0,0]=4 14419 B11R0.140 CSCCCC(=O)NCCCF 1626a_100015189416_100000173376 [0,2,0,0,0,0|2,0,0]=4 14420 B11R0.140 CSCCCC(=O)NCCCF 240690a_100015189416_100000173376 [0,2,0,0,0,0|2,0,0]=4 14421 B11R0.140 CSCCCC(=O)NCCCF 527a_100015189416_100000173376 [0,2,0,0,0,0|2,0,0]=4 14422 B11R0.140 CSCCCC(=O)NCCCO 240690a_100000182051_100000173376 [0,2,0,0,0,0|2,0,0]=4 14423 B11R0.140 CSCCCC(=O)NCCCO 527a_100000182051_100000173376 [0,2,0,0,0,0|2,0,0]=4 14424 B11R0.140 CSCCCC(=O)NCCSC 11a_100020590264_100000173376 [0,2,0,0,0,0|2,0,0]=4 14425 B11R0.140 CSCCCC(=O)NCCSC 1626a_100020590264_100000173376 [0,2,0,0,0,0|2,0,0]=4 14426 B11R0.140 CSCCCC(=O)NCCSC 240690a_100020590264_100000173376 [0,2,0,0,0,0|2,0,0]=4 14427 B11R0.140 CSCCCC(=O)NCCSC 527a_100020590264_100000173376 [0,2,0,0,0,0|2,0,0]=4 14428 B11R0.140 CSCCCC(=O)NNCCO 22a_100000210001_100000173376 [0,2,0,0,0,0|2,0,0]=4 14429 B11R0.140 CSCCNC(=O)CCCCO 1626a_100020590264_100000695505 [0,2,0,0,0,0|2,0,0]=4 14430 B11R0.140 CSCCNC(=O)COCCO 1626a_100020590264_100000708028 [0,2,0,0,0,0|2,0,0]=4 14431 B11R0.140 CSCCNC(=O)COCCO 240690a_100020590264_100000708028 [0,2,0,0,0,0|2,0,0]=4 14432 B11R0.140 N#CCCCC(=O)CCCCF 1458a_100000075515_100000729493 [0,2,0,0,0,0|2,0,0]=4 14433 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000075515_100000210776 [0,2,0,0,0,0|2,0,0]=4 14434 B11R0.140 N#CCCCC(=O)CCCCO 1458a_100000695505_100000211468 [0,2,0,0,0,0|2,0,0]=4 14435 B11R0.140 N#CCCCC(=O)COCCO 1458a_100000708028_100000211468 [0,2,0,0,0,0|1,0,1]=4 14436 B11R0.140 N#CCCNC(=O)CCCCO 1626a_100000720768_100000695505 [0,2,0,0,0,0|2,0,0]=4 14437 B11R0.140 O=C(CCCCF)COCCO 1458a_100000708028_100000729493 [0,2,0,0,0,0|1,0,0]=3 14438 B11R0.140 O=C(CCCCO)CCCCF 1458a_100000695505_100000729493 [0,2,0,0,0,0|2,0,0]=4 14439 B11R0.140 O=C(CCCCO)CCCCO 1458a_100000695505_100000210776 [0,2,0,0,0,0|2,0,0]=4 14440 B11R0.140 O=C(CCCCO)COCCO 1458a_100000708028_100000210776 [0,2,0,0,0,0|1,0,0]=3 14441 B11R0.140 O=C(CCCCO)NCCCF 1626a_100015189416_100000695505 [0,2,0,0,0,0|2,0,0]=4 14442 B11R0.140 O=C(COCCO)NCCCF 1626a_100015189416_100000708028 [0,2,0,0,0,0|2,0,0]=4 14443 B11R0.140 O=C(COCCO)NCCCF 240690a_100015189416_100000708028 [0,2,0,0,0,0|2,0,0]=4 14444 B11R0.140 O=C(COCCO)NCCCO 240690a_100000182051_100000708028 [0,2,0,0,0,0|2,0,0]=4 14445 B11R0.321 CCCCCS(=O)(=O)NCCC 270084a_100020643023_100000753860 [0,2,0,0,0,0|2,0,0]=4 14446 B11R0.321 CCCCCS(=O)(=O)NCCC 274078a_100020643023_100000753860 [0,2,0,0,0,0|2,0,0]=4 14447 B11R0.321 CCCCCS(=O)(=O)NCCF 270084a_100000724931_100000753860 [0,2,0,0,0,0|2,0,0]=4 14448 B11R0.321 CCCCCS(=O)(=O)NCCF 274078a_100000724931_100000753860 [0,2,0,0,0,0|2,0,0]=4 14449 B11R0.321 CCCCCS(=O)(=O)NCCO 270084a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 14450 B11R0.321 CCCCCS(=O)(=O)NCCO 274078a_100000210304_100000753860 [0,2,0,0,0,0|2,0,0]=4 14451 B11R0.9 C#CC(CC)OCC(=O)CCC 7a_100000758843_100000747444 [0,2,0,0,0,0|2,0,0]=4 14452 B11R0.9 C#CC(CC)OCC(=O)NCC 34a_100000758843_100000183381 [0,2,0,0,0,0|2,0,0]=4 14453 B11R0.9 C#CC(CC)OCC(=O)NCC 7a_100000758843_100000183381 [0,2,0,0,0,0|2,0,0]=4 14454 B11R0.9 C#CC(CC)OCC(=O)OCC 34a_100000758843_100000188475 [0,2,0,0,0,0|1,0,0]=3 14455 B11R0.9 C#CC(CC)OCC(=O)OCC 7a_100000758843_100000188475 [0,2,0,0,0,0|1,0,0]=3 14456 B11R0.9 C=CC(CC)OCC(=O)CCC 7a_100000766422_100000747444 [0,2,0,0,0,0|2,0,0]=4 14457 B11R0.9 C=CC(CC)OCC(=O)NCC 34a_100000766422_100000183381 [0,2,0,0,0,0|2,0,0]=4 14458 B11R0.9 C=CC(CC)OCC(=O)NCC 7a_100000766422_100000183381 [0,2,0,0,0,0|2,0,0]=4 14459 B11R0.9 C=CC(CC)OCC(=O)OCC 34a_100000766422_100000188475 [0,2,0,0,0,0|1,0,0]=3 14460 B11R0.9 C=CC(CC)OCC(=O)OCC 7a_100000766422_100000188475 [0,2,0,0,0,0|1,0,0]=3 14461 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 2230a_100016989147_100000188475 [0,2,0,0,0,0|2,0,0]=4 14462 B11R0.9 C=C[C@@H](CO)NCC(=O)OCC 34a_100016989147_100000188475 [0,2,0,0,0,0|2,0,0]=4 14463 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_100000211992_100000139399 [0,2,0,0,0,0|2,0,0]=4 14464 B11R0.9 CCCC(=O)CCC(OC)OC 1458a_200000082759_100000210303 [0,2,0,0,0,0|2,0,0]=4 14465 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000211992_100000700428 [0,2,0,0,0,0|2,0,0]=4 14466 B11R0.9 CCCC(=O)CCN(CC)CC 1458a_100000750416_100000210303 [0,2,0,0,0,0|2,0,0]=4 14467 B11R0.9 CCCC(=O)CNC(CC)CC 2230a_100000199018_100000747444 [0,2,0,0,0,0|2,0,0]=4 14468 B11R0.9 CCCC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000747444 [0,2,0,0,0,0|2,0,0]=4 14469 B11R0.9 CCCC(=O)COC(CC)CC 1458a_100012002705_100000210303 [0,2,0,0,0,0|2,0,0]=4 14470 B11R0.9 CCCC(=O)COC(CC)CC 7a_100000688536_100000747444 [0,2,0,0,0,0|2,0,0]=4 14471 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000210505_100000747444 [0,2,0,0,0,0|2,0,0]=4 14472 B11R0.9 CCCC(=O)CSC(CC)CC 62a_100000747444_100000210505 [0,2,0,0,0,0|2,0,0]=4 14473 B11R0.9 CCCC(=O)NCC(CC)CC 11a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 14474 B11R0.9 CCCC(=O)NCC(CC)CC 1626a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 14475 B11R0.9 CCCC(=O)NCC(CC)CC 240690a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 14476 B11R0.9 CCCC(=O)NCC(CC)CC 527a_100102946423_100000211992 [0,2,0,0,0,0|2,0,0]=4 14477 B11R0.9 CCCC(=O)NCC(CC)OC 11a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 14478 B11R0.9 CCCC(=O)NCC(CC)OC 1626a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 14479 B11R0.9 CCCC(=O)NCC(CC)OC 240690a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 14480 B11R0.9 CCCC(=O)NCC(CC)OC 527a_100000731041_100000211992 [0,2,0,0,0,0|2,0,0]=4 14481 B11R0.9 CCNC(=O)CCC(OC)OC 11a_100015525214_200000082759 [0,2,0,0,0,0|2,0,0]=4 14482 B11R0.9 CCNC(=O)CCC(OC)OC 240690a_100015525214_200000082759 [0,2,0,0,0,0|2,0,0]=4 14483 B11R0.9 CCNC(=O)CCC(OC)OC 527a_100015525214_200000082759 [0,2,0,0,0,0|2,0,0]=4 14484 B11R0.9 CCNC(=O)CCN(CC)CC 11a_100015525214_100000750416 [0,2,0,0,0,0|2,0,0]=4 14485 B11R0.9 CCNC(=O)CCN(CC)CC 2230a_100000724800_100000737597 [0,2,0,0,0,0|2,0,0]=4 14486 B11R0.9 CCNC(=O)CCN(CC)CC 240690a_100015525214_100000750416 [0,2,0,0,0,0|2,0,0]=4 14487 B11R0.9 CCNC(=O)CCN(CC)CC 269956a_100000042499_100000737597 [0,2,0,0,0,0|2,0,0]=4 14488 B11R0.9 CCNC(=O)CCN(CC)CC 269982a_100000724800_100000737597 [0,2,0,0,0,0|2,0,0]=4 14489 B11R0.9 CCNC(=O)CNC(CC)CC 2230a_100000199018_100000183381 [0,2,0,0,0,0|2,0,0]=4 14490 B11R0.9 CCNC(=O)CNC(CC)CC 270004a_100016988866_100000210860 [0,2,0,0,0,0|2,0,0]=4 14491 B11R0.9 CCNC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000183381 [0,2,0,0,0,0|2,0,0]=4 14492 B11R0.9 CCNC(=O)COC(CC)CC 11a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 14493 B11R0.9 CCNC(=O)COC(CC)CC 240690a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 14494 B11R0.9 CCNC(=O)COC(CC)CC 527a_100015525214_100012002705 [0,2,0,0,0,0|2,0,0]=4 14495 B11R0.9 CCNC(=O)COC(CC)CC 7a_100000688536_100000183381 [0,2,0,0,0,0|2,0,0]=4 14496 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000183381_100000210505 [0,2,0,0,0,0|2,0,0]=4 14497 B11R0.9 CCNC(=O)CSC(CC)CC 62a_100000210505_100000183381 [0,2,0,0,0,0|2,0,0]=4 14498 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 14499 B11R0.9 CCNC(=O)NCC(CC)CC 2708a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 14500 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 14501 B11R0.9 CCNC(=O)NCC(CC)CC 273464a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 14502 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100015525214_100102946423 [0,2,0,0,0,0|2,0,0]=4 14503 B11R0.9 CCNC(=O)NCC(CC)CC 512a_100102946423_100015525214 [0,2,0,0,0,0|2,0,0]=4 14504 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 14505 B11R0.9 CCNC(=O)NCC(CC)OC 2708a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 14506 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 14507 B11R0.9 CCNC(=O)NCC(CC)OC 273464a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 14508 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100000731041_100015525214 [0,2,0,0,0,0|2,0,0]=4 14509 B11R0.9 CCNC(=O)NCC(CC)OC 512a_100015525214_100000731041 [0,2,0,0,0,0|2,0,0]=4 14510 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_100000724800_100011206558 [0,2,0,0,0,0|1,0,0]=3 14511 B11R0.9 CCOC(=O)CCN(CC)CC 2230a_200011277716_100000210202 [0,2,0,0,0,0|1,0,0]=3 14512 B11R0.9 CCOC(=O)CCN(CC)CC 269956a_100000042499_100000765890 [0,2,0,0,0,0|1,0,0]=3 14513 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_100000724800_100011206558 [0,2,0,0,0,0|1,0,0]=3 14514 B11R0.9 CCOC(=O)CCN(CC)CC 269982a_200011277716_100000204670 [0,2,0,0,0,0|1,0,0]=3 14515 B11R0.9 CCOC(=O)CCN(CC)CF 269982a_200011277716_100015361967 [0,2,0,0,0,0|1,0,0]=3 14516 B11R0.9 CCOC(=O)CNC(CC)CC 2230a_100000199018_100000188475 [0,2,0,0,0,0|1,0,0]=3 14517 B11R0.9 CCOC(=O)CNC(CO)CO 2230a_100000759517_100000188475 [0,2,0,0,0,0|2,0,0]=4 14518 B11R0.9 CCOC(=O)CN[C@@H](CC)CO 2230a_100000709445_100000188475 [0,2,0,0,0,0|1,0,0]=3 14519 B11R0.9 CCOC(=O)COC(CC)CC 7a_100000688536_100000188475 [0,2,0,0,0,0|1,0,0]=3 14520 B11R0.9 CCOC(=O)COC(CCl)CCl 7a_100000737055_100000188475 [0,2,0,0,0,0|2,0,0]=4 14521 B11R0.9 CCOC(=O)COC(CF)CF 34a_100000032261_100000188475 [0,2,0,0,0,0|2,0,0]=4 14522 B11R0.9 CCOC(=O)COC(CF)CF 7a_100000032261_100000188475 [0,2,0,0,0,0|2,0,0]=4 14523 B11R0.9 CCOC(=O)COC(CN)CN 34a_100000031598_100000188475 [0,2,0,0,0,0|2,0,0]=4 14524 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000188475 [0,2,0,0,0,0|2,0,0]=4 14525 B11R0.9 CCOC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000188475 [0,2,0,0,0,0|2,0,0]=4 14526 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000188475_100000210505 [0,2,0,0,0,0|1,0,0]=3 14527 B11R0.9 CCOC(=O)CSC(CC)CC 62a_100000210505_100000188475 [0,2,0,0,0,0|1,0,0]=3 14528 B11R0.170 CCCC(=O)CCS(=O)(=O)CC 1458a_100000211992_100000756660 [0,2,0,0,0,0|2,0,0]=4 14529 B11R0.170 CCCC(=O)CNC(C)(C)CC 2230a_100000211385_100000747444 [0,2,0,0,0,0|2,0,0]=4 14530 B11R0.170 CCCC(=O)COC(C)(C)CC 7a_100000210230_100000747444 [0,2,0,0,0,0|2,0,0]=4 14531 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000032637_100000747444 [0,2,0,0,0,0|2,0,0]=4 14532 B11R0.170 CCCC(=O)CSC(C)(C)CC 62a_100000747444_100000032637 [0,2,0,0,0,0|2,0,0]=4 14533 B11R0.170 CCNC(=O)CNC(C)(C)CC 2230a_100000211385_100000183381 [0,2,0,0,0,0|2,0,0]=4 14534 B11R0.170 CCNC(=O)COC(C)(C)CC 7a_100000210230_100000183381 [0,2,0,0,0,0|2,0,0]=4 14535 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000032637_100000183381 [0,2,0,0,0,0|2,0,0]=4 14536 B11R0.170 CCNC(=O)CSC(C)(C)CC 62a_100000183381_100000032637 [0,2,0,0,0,0|2,0,0]=4 14537 B11R0.170 CCOC(=O)CNC(C)(C)CC 2230a_100000211385_100000188475 [0,2,0,0,0,0|1,0,0]=3 14538 B11R0.170 CCOC(=O)CNC(C)(C)CO 2230a_100000210608_100000188475 [0,2,0,0,0,0|2,0,0]=4 14539 B11R0.170 CCOC(=O)COC(C)(C)CC 7a_100000210230_100000188475 [0,2,0,0,0,0|1,0,0]=3 14540 B11R0.170 CCOC(=O)COC(C)(C)CCl 7a_100000764493_100000188475 [0,2,0,0,0,0|2,0,0]=4 14541 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000032637_100000188475 [0,2,0,0,0,0|1,0,0]=3 14542 B11R0.170 CCOC(=O)CSC(C)(C)CC 62a_100000188475_100000032637 [0,2,0,0,0,0|1,0,0]=3 14543 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100000188475_100011217949 [0,2,0,0,0,0|2,0,0]=4 14544 B11R0.170 CCOC(=O)CSC(F)(F)CO 62a_100011217949_100000188475 [0,2,0,0,0,0|2,0,0]=4 14545 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 14546 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [1,0,0,1,0,0|1,0,0]=3 14547 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 14548 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 14549 B9R1.2 COC1CCCC(=O)C1 34a_100012613340_200000210301 [1,0,0,1,0,0|2,0,0]=4 14550 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 14551 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 14552 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 14553 B9R1.2 [13CH3]OC1CCCC(=O)C1 34a_100012613340_200025704644 [1,0,0,1,0,0|2,0,0]=4 14554 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 14555 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [1,0,0,1,0,0|1,0,1]=4 14556 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 14557 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [1,0,0,1,0,0|1,0,1]=4 14558 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [1,0,0,1,0,0|1,0,1]=4 14559 B9R1.8 CCOC1CCCCO1 34a_100000033831_100000210202 [1,0,0,1,0,0|0,0,2]=4 14560 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 14561 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 14562 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 14563 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 14564 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 14565 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 14566 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 14567 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 14568 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 14569 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 14570 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 14571 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 14572 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,0]=3 14573 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 14574 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 14575 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,0]=3 14576 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 14577 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 14578 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 14579 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,0]=3 14580 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,0]=3 14581 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 14582 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 14583 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 14584 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 14585 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 14586 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [1,0,0,1,0,0|2,0,0]=4 14587 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 14588 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [1,0,0,1,0,0|2,0,0]=4 14589 B9R1.73 CC#CC(=O)C1CCC1 1458a_100000763181_100000749161 [1,0,0,1,0,0|1,0,1]=4 14590 B9R1.73 CC=CC(=O)C1CCC1 1458a_100000210699_100000749161 [1,0,0,1,0,0|1,0,1]=4 14591 B9R1.73 CCCC(=O)C1CCC1 1458a_100000209988_100000210303 [1,0,0,1,0,0|1,0,0]=3 14592 B9R1.73 CCCC(=O)C1CCC1 1458a_100000211992_100000749161 [1,0,0,1,0,0|1,0,0]=3 14593 B9R1.73 CCCC(=O)C1CCO1 1458a_100000089072_100000210303 [1,0,0,1,0,0|2,0,0]=4 14594 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [1,0,0,1,0,0|2,0,0]=4 14595 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [1,0,0,1,0,0|2,0,0]=4 14596 B9R1.73 CCCC(=O)N1CCC1 11a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 14597 B9R1.73 CCCC(=O)N1CCC1 240690a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 14598 B9R1.73 CCCC(=O)N1CCC1 527a_100000754969_100000211992 [1,0,0,1,0,0|2,0,0]=4 14599 B9R1.73 CCNC(=O)C1CCC1 11a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 14600 B9R1.73 CCNC(=O)C1CCC1 240690a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 14601 B9R1.73 CCNC(=O)C1CCC1 527a_100015525214_100000209988 [1,0,0,1,0,0|1,0,0]=3 14602 B9R1.73 CCNC(=O)C1CCO1 11a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 14603 B9R1.73 CCNC(=O)C1CCO1 240690a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 14604 B9R1.73 CCNC(=O)C1CCO1 527a_100015525214_100000089072 [1,0,0,1,0,0|2,0,0]=4 14605 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 14606 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 14607 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [1,0,0,1,0,0|2,0,0]=4 14608 B9R1.73 CCNC(=O)N1CCC1 2708a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 14609 B9R1.73 CCNC(=O)N1CCC1 273464a_100015525214_100000754969 [1,0,0,1,0,0|2,0,0]=4 14610 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 14611 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [1,0,0,1,0,0|1,0,1]=4 14612 B9R1.73 CNCC(=O)C1CCC1 2230a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 14613 B9R1.73 CNCC(=O)C1CCC1 34a_100102657272_100000686122 [1,0,0,1,0,0|2,0,0]=4 14614 B9R1.73 CNCC(=O)C1CCC1 7a_106832991635_100000686122 [1,0,0,1,0,0|2,0,0]=4 14615 B9R1.73 CNNC(=O)C1CCC1 22a_100016993582_100000209988 [1,0,0,1,0,0|2,0,0]=4 14616 B9R1.73 COCC(=O)C1CCC1 1458a_100000210968_100000749161 [1,0,0,1,0,0|2,0,0]=4 14617 B9R1.73 COCC(=O)C1CCC1 34a_100138415774_100000686122 [1,0,0,1,0,0|2,0,0]=4 14618 B9R1.73 CSCC(=O)C1CCC1 1458a_100000184570_100000749161 [1,0,0,1,0,0|2,0,0]=4 14619 B9R1.73 CSCC(=O)C1CCC1 62a_100000686122_200000210301 [1,0,0,1,0,0|2,0,0]=4 14620 B9R1.73 CSCC(=O)C1CCC1 62a_200000210301_100000686122 [1,0,0,1,0,0|2,0,0]=4 14621 B9R1.73 O=C(CCF)C1CCC1 1458a_100000209988_100011217306 [1,0,0,1,0,0|2,0,0]=4 14622 B9R1.73 O=C(CCO)C1CCC1 1458a_100000209988_100000211926 [1,0,0,1,0,0|2,0,0]=4 14623 B9R1.73 O=C(CCO)C1CCC1 1458a_100011216618_100000749161 [1,0,0,1,0,0|2,0,0]=4 14624 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_100000686122_200025704644 [1,0,0,1,0,0|2,0,0]=4 14625 B9R1.73 [13CH3]SCC(=O)C1CCC1 62a_200025704644_100000686122 [1,0,0,1,0,0|2,0,0]=4 14626 B9R1.75 CC#CC(=O)CC1CC1 1458a_100000763181_100000742324 [1,0,0,1,0,0|1,0,1]=4 14627 B9R1.75 CC=CC(=O)CC1CC1 1458a_100000210699_100000742324 [1,0,0,1,0,0|1,0,1]=4 14628 B9R1.75 CCCC(=O)CC1CC1 1458a_100000211992_100000742324 [1,0,0,1,0,0|1,0,0]=3 14629 B9R1.75 CCCC(=O)CC1CC1 1458a_100000738066_100000210303 [1,0,0,1,0,0|1,0,0]=3 14630 B9R1.75 CCCC(=O)CC1CO1 1458a_100000211992_100011216344 [1,0,0,1,0,0|2,0,0]=4 14631 B9R1.75 CCCC(=O)CC1CS1 1458a_100000211992_100000031435 [1,0,0,1,0,0|2,0,0]=4 14632 B9R1.75 CCCC(=O)C[C@@H]1CO1 1458a_100000211992_100000745022 [1,0,0,1,0,0|2,0,0]=4 14633 B9R1.75 CCCC(=O)NC1CC1 1626a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 14634 B9R1.75 CCCC(=O)NC1CC1 240690a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 14635 B9R1.75 CCCC(=O)NC1CC1 527a_100000212008_100000211992 [1,0,0,1,0,0|2,0,0]=4 14636 B9R1.75 CCNC(=O)CC1CC1 11a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 14637 B9R1.75 CCNC(=O)CC1CC1 240690a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 14638 B9R1.75 CCNC(=O)CC1CC1 527a_100015525214_100000738066 [1,0,0,1,0,0|1,0,0]=3 14639 B9R1.75 CCNC(=O)NC1CC1 2708a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 14640 B9R1.75 CCNC(=O)NC1CC1 2708a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 14641 B9R1.75 CCNC(=O)NC1CC1 273464a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 14642 B9R1.75 CCNC(=O)NC1CC1 273464a_100015525214_100000212008 [1,0,0,1,0,0|2,0,0]=4 14643 B9R1.75 CCNC(=O)NC1CC1 512a_100000212008_100015525214 [1,0,0,1,0,0|2,0,0]=4 14644 B9R1.75 CNNC(=O)CC1CC1 22a_100016993582_100000738066 [1,0,0,1,0,0|2,0,0]=4 14645 B9R1.75 COCC(=O)CC1CC1 1458a_100000210968_100000742324 [1,0,0,1,0,0|2,0,0]=4 14646 B9R1.75 CSCC(=O)CC1CC1 1458a_100000184570_100000742324 [1,0,0,1,0,0|2,0,0]=4 14647 B9R1.75 O=C(CCF)CC1CC1 1458a_100000738066_100011217306 [1,0,0,1,0,0|2,0,0]=4 14648 B9R1.75 O=C(CCO)CC1CC1 1458a_100000738066_100000211926 [1,0,0,1,0,0|2,0,0]=4 14649 B9R1.75 O=C(CCO)CC1CC1 1458a_100011216618_100000742324 [1,0,0,1,0,0|2,0,0]=4 14650 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [1,0,0,1,0,0|1,0,0]=3 14651 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [1,0,0,1,0,0|2,0,0]=4 14652 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 14653 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 14654 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 14655 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [1,0,0,1,0,0|2,0,0]=4 14656 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [1,0,0,1,0,0|2,0,0]=4 14657 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [1,0,0,1,0,0|2,0,0]=4 14658 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [1,0,0,1,0,0|2,0,0]=4 14659 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [1,0,0,1,0,0|2,0,0]=4 14660 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [1,0,0,1,0,0|2,0,0]=4 14661 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [1,0,0,1,0,0|2,0,0]=4 14662 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [1,0,0,1,0,0|2,0,0]=4 14663 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [1,0,0,1,0,0|2,0,0]=4 14664 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [1,0,0,1,0,0|2,0,0]=4 14665 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 14666 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 14667 B9R1.183 CC1CC1C(=O)CCF 1458a_100000211227_100011217306 [1,0,0,1,0,0|2,0,0]=4 14668 B9R1.183 CC1CC1C(=O)CCO 1458a_100000211227_100000211926 [1,0,0,1,0,0|2,0,0]=4 14669 B9R1.183 CCCC(=O)C1CC1C 1458a_100000211227_100000210303 [1,0,0,1,0,0|1,0,0]=3 14670 B9R1.183 CCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210303 [1,0,0,1,0,0|2,0,0]=4 14671 B9R1.183 CCNC(=O)C1CC1C 11a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 14672 B9R1.183 CCNC(=O)C1CC1C 527a_100015525214_100000211227 [1,0,0,1,0,0|1,0,0]=3 14673 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 11a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 14674 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 240690a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 14675 B9R1.183 CCNC(=O)[C@@H]1C[C@@H]1F 527a_100015525214_100015396687 [1,0,0,1,0,0|2,0,0]=4 14676 B9R1.183 CNNC(=O)C1CC1C 22a_100016993582_100000211227 [1,0,0,1,0,0|2,0,0]=4 14677 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 14678 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [1,0,0,1,0,0|1,0,1]=4 14679 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [1,0,0,1,0,0|1,0,1]=4 14680 B9R1.16 CCCOCC1CC1C 34a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 14681 B9R1.16 CCCOCC1CC1C 7a_100000744939_100000210303 [1,0,0,1,0,0|2,0,0]=4 14682 B9R1.17 CC/C=C\CN1CCC1 269982a_100000754969_100103147603 [1,0,0,1,0,0|2,0,0]=4 14683 B9R1.17 CCCCCN1CCC1 269982a_100000754969_100000210215 [1,0,0,1,0,0|2,0,0]=4 14684 B9R1.17 CCCNCC1CCC1 2230a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 14685 B9R1.17 CCCNCC1CCC1 269862a_100020643023_100000753134 [1,0,0,1,0,0|2,0,0]=4 14686 B9R1.17 CCCNCC1CCC1 34a_100000738700_100000210303 [1,0,0,1,0,0|2,0,0]=4 14687 B9R1.17 CCCNC[C@@H]1CCO1 2230a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 14688 B9R1.17 CCCNC[C@@H]1CCO1 34a_100020831831_100000210303 [1,0,0,1,0,0|1,0,1]=4 14689 B9R1.17 CCCOCC1CCC1 34a_100000210258_100000763275 [1,0,0,1,0,0|2,0,0]=4 14690 B9R1.17 CCCOCC1CCC1 34a_100000760304_100000210303 [1,0,0,1,0,0|2,0,0]=4 14691 B9R1.17 CCCOCC1CCO1 34a_100000039022_100000210303 [1,0,0,1,0,0|1,0,1]=4 14692 B9R1.17 CCCOCC1CCO1 34a_100000210258_100000103362 [1,0,0,1,0,0|1,0,1]=4 14693 B9R1.17 CCCSCC1CCC1 62a_100000210303_100000763275 [1,0,0,1,0,0|2,0,0]=4 14694 B9R1.17 CCCSCC1CCC1 62a_100000763275_100000210303 [1,0,0,1,0,0|2,0,0]=4 14695 B9R1.17 CCCSCC1CCO1 62a_100000103362_100000210303 [1,0,0,1,0,0|1,0,1]=4 14696 B9R1.17 CCCSCC1CCO1 62a_100000210303_100000103362 [1,0,0,1,0,0|1,0,1]=4 14697 B9R1.17 CCOCCC1COC1 34a_100009855314_100000210202 [1,0,0,1,0,0|1,0,1]=4 14698 B9R1.17 CCOCCN1CCC1 269982a_100000754969_100011215890 [1,0,0,1,0,0|1,0,1]=4 14699 B9R1.17 CCOCSC1CCC1 62a_100000739092_100000749161 [1,0,0,1,0,0|1,0,1]=4 14700 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [1,0,0,1,0,0|1,0,1]=4 14701 B9R1.83 CC/C=C\CNC1CC1 34a_100000212008_100103147603 [1,0,0,1,0,0|2,0,0]=4 14702 B9R1.83 CC/C=C\COC1CC1 34a_100016268518_100000211595 [1,0,0,1,0,0|2,0,0]=4 14703 B9R1.83 CC/C=C\CSC1CC1 62a_100103147603_100000211595 [1,0,0,1,0,0|2,0,0]=4 14704 B9R1.83 CCCCCNC1CC1 34a_100000212008_100000718602 [1,0,0,1,0,0|2,0,0]=4 14705 B9R1.83 CCCCCOC1CC1 34a_100000210253_100000211595 [1,0,0,1,0,0|2,0,0]=4 14706 B9R1.83 CCCCCSC1CC1 62a_100000210326_100000211595 [1,0,0,1,0,0|2,0,0]=4 14707 B9R1.83 CCCNCCC1CC1 34a_100000764129_100000210303 [1,0,0,1,0,0|2,0,0]=4 14708 B9R1.83 CCCOCCC1CC1 34a_100000210258_100000694398 [1,0,0,1,0,0|2,0,0]=4 14709 B9R1.83 CCCOCCC1CC1 34a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 14710 B9R1.83 CCCOCCC1CC1 7a_100000754188_100000210303 [1,0,0,1,0,0|2,0,0]=4 14711 B9R1.83 CCCSCCC1CC1 62a_100000210303_100000764125 [1,0,0,1,0,0|2,0,0]=4 14712 B9R1.83 CCCSCCC1CC1 62a_100000764125_100000210303 [1,0,0,1,0,0|2,0,0]=4 14713 B9R1.83 CCOCCCC1CO1 34a_100121572206_100000733510 [1,0,0,1,0,0|1,0,1]=4 14714 B9R1.83 CCOCCNC1CC1 34a_100000212008_100000210147 [1,0,0,1,0,0|1,0,1]=4 14715 B9R1.83 CCOCCNC1CC1 34a_100000738766_100000210202 [1,0,0,1,0,0|1,0,1]=4 14716 B9R1.83 CCOCCNC1CC1 34a_102516460346_100000211595 [1,0,0,1,0,0|1,0,1]=4 14717 B9R1.83 CCOCCOC1CC1 34a_100000210136_100000211595 [1,0,0,1,0,0|1,0,1]=4 14718 B9R1.83 CCOCCSC1CC1 62a_100000210147_100000211595 [1,0,0,1,0,0|1,0,1]=4 14719 B9R1.83 CCOCSCC1CC1 62a_100000739092_100000742324 [1,0,0,1,0,0|1,0,1]=4 14720 B9R1.83 CCOCSCC1CC1 62a_100000756562_100000739092 [1,0,0,1,0,0|1,0,1]=4 14721 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 14722 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [1,0,0,1,0,0|1,0,1]=4 14723 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [1,0,0,1,0,0|1,0,1]=4 14724 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [1,0,0,1,0,0|1,0,1]=4 14725 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [1,0,0,1,0,0|1,0,1]=4 14726 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [1,0,0,1,0,0|1,0,1]=4 14727 B9R1.1 C=C1CCC(CC1)NC 270004a_106832991635_100010272673 [1,0,0,1,0,0|2,0,0]=4 14728 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [1,0,0,1,0,0|2,0,0]=4 14729 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [1,0,0,1,0,0|2,0,0]=4 14730 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [1,0,0,1,0,0|2,0,0]=4 14731 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 14732 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 14733 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [1,0,0,1,0,0|2,0,0]=4 14734 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 14735 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 14736 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [1,0,0,1,0,0|2,0,0]=4 14737 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [1,0,0,1,0,0|2,0,0]=4 14738 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [1,0,0,1,0,0|2,0,0]=4 14739 B9R1.1 CNC1CCC(=O)NC1 2230a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 14740 B9R1.1 CNC1CCC(=O)NC1 34a_100000748762_200000210301 [1,0,0,1,0,0|2,0,0]=4 14741 B9R1.1 COC1CCC(=O)CC1 34a_100000764474_200000210301 [1,0,0,1,0,0|1,0,0]=3 14742 B9R1.1 COC1CCC(=O)CC1 7a_100000764474_200000210301 [1,0,0,1,0,0|1,0,0]=3 14743 B9R1.1 COC1CCC(=O)NC1 34a_100000079199_200000210301 [1,0,0,1,0,0|2,0,0]=4 14744 B9R1.1 [13CH3]NC1CCC(=O)NC1 2230a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 14745 B9R1.1 [13CH3]NC1CCC(=O)NC1 34a_100000748762_200025704644 [1,0,0,1,0,0|2,0,0]=4 14746 B9R1.1 [13CH3]OC1CCC(=O)CC1 34a_100000764474_200025704644 [1,0,0,1,0,0|1,0,0]=3 14747 B9R1.1 [13CH3]OC1CCC(=O)CC1 7a_100000764474_200025704644 [1,0,0,1,0,0|1,0,0]=3 14748 B9R1.1 [13CH3]OC1CCC(=O)NC1 34a_100000079199_200025704644 [1,0,0,1,0,0|2,0,0]=4 14749 B9R1.3 CC1C(=O)NCCN1C 2230a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 14750 B9R1.3 CC1C(=O)NCCN1C 269982a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 14751 B9R1.3 CC1C(=O)NCCN1C 34a_100000750721_200000210301 [1,0,0,1,0,0|2,0,0]=4 14752 B9R1.3 CC1C(=O)NCCN1[13CH3] 2230a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 14753 B9R1.3 CC1C(=O)NCCN1[13CH3] 269982a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 14754 B9R1.3 CC1C(=O)NCCN1[13CH3] 34a_100000750721_200025704644 [1,0,0,1,0,0|2,0,0]=4 14755 B9R1.11 C#CC(=O)C1CCCC1 1458a_100000211873_100000179811 [1,0,0,1,0,0|0,0,2]=4 14756 B9R1.11 C=CC(=O)C1CCCC1 1458a_100000185746_100000179811 [1,0,0,1,0,0|0,0,2]=4 14757 B9R1.11 CC(O[13CH3])C1CCCC1 34a_100011216366_200025704644 [1,0,0,1,0,0|1,0,1]=4 14758 B9R1.11 CC(O[13CH3])C1CCCC1 7a_100011216366_200025704644 [1,0,0,1,0,0|1,0,1]=4 14759 B9R1.11 CCC(=O)C1=CCCC1 1458a_100000038896_100000210202 [1,0,0,1,0,0|0,0,2]=4 14760 B9R1.11 CCC(=O)C1CC=CC1 1458a_100000759439_100000210202 [1,0,0,1,0,0|0,0,2]=4 14761 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210414_100000179811 [1,0,0,1,0,0|0,0,0]=2 14762 B9R1.11 CCC(=O)C1CCCC1 1458a_100000210718_100000210202 [1,0,0,1,0,0|0,0,0]=2 14763 B9R1.11 CCC(=O)C1CCCS1 1458a_100012002731_100000210202 [1,0,0,1,0,0|1,0,0]=3 14764 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [1,0,0,1,0,0|1,0,0]=3 14765 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [1,0,0,1,0,0|1,0,0]=3 14766 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 14767 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [1,0,0,1,0,0|1,0,0]=3 14768 B9R1.11 CCC(=O)N1CCSC1 11a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 14769 B9R1.11 CCC(=O)N1CCSC1 240690a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 14770 B9R1.11 CCC(=O)N1CCSC1 527a_100011215254_100000210414 [1,0,0,1,0,0|2,0,0]=4 14771 B9R1.11 CCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210202 [1,0,0,1,0,0|1,0,0]=3 14772 B9R1.11 CCN(C)C1CCCC1 2230a_100000207505_100000210202 [1,0,0,1,0,0|2,0,0]=4 14773 B9R1.11 CCN(C)C1CCCC1 2230a_100000225621_100000179811 [1,0,0,1,0,0|2,0,0]=4 14774 B9R1.11 CCN(C)C1CCCC1 269982a_100000207505_100000204670 [1,0,0,1,0,0|2,0,0]=4 14775 B9R1.11 CCN(C)C1CCCC1 269982a_100000225621_100000179811 [1,0,0,1,0,0|2,0,0]=4 14776 B9R1.11 CCN(C)C1CCCC1 34a_100000207505_100000210202 [1,0,0,1,0,0|2,0,0]=4 14777 B9R1.11 CNC(=O)C1CCCC1 11a_106832991635_100000210718 [1,0,0,1,0,0|1,0,0]=3 14778 B9R1.11 CNC(=O)C1CCCC1 1626a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 14779 B9R1.11 CNC(=O)C1CCCC1 240690a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 14780 B9R1.11 CNC(=O)C1CCCC1 527a_100102657272_100000210718 [1,0,0,1,0,0|1,0,0]=3 14781 B9R1.11 CNC(=O)C1CCCS1 11a_106832991635_100012002731 [1,0,0,1,0,0|2,0,0]=4 14782 B9R1.11 CNC(=O)C1CCCS1 1626a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 14783 B9R1.11 CNC(=O)C1CCCS1 240690a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 14784 B9R1.11 CNC(=O)C1CCCS1 527a_100102657272_100012002731 [1,0,0,1,0,0|2,0,0]=4 14785 B9R1.11 CNC(=O)C1CCOC1 11a_106832991635_100011219752 [1,0,0,1,0,0|2,0,0]=4 14786 B9R1.11 CNC(=O)C1CCOC1 1626a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 14787 B9R1.11 CNC(=O)C1CCOC1 240690a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 14788 B9R1.11 CNC(=O)C1CCOC1 527a_100102657272_100011219752 [1,0,0,1,0,0|2,0,0]=4 14789 B9R1.11 CNC(=O)N1CCCC1 2708a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 14790 B9R1.11 CNC(=O)N1CCCC1 273464a_100102657272_100000188435 [1,0,0,1,0,0|2,0,0]=4 14791 B9R1.11 CNC(=O)[C@@H]1CCCO1 11a_106832991635_100000686382 [1,0,0,1,0,0|2,0,0]=4 14792 B9R1.11 CNC(=O)[C@@H]1CCCO1 1626a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 14793 B9R1.11 CNC(=O)[C@@H]1CCCO1 240690a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 14794 B9R1.11 CNC(=O)[C@@H]1CCCO1 527a_100102657272_100000686382 [1,0,0,1,0,0|2,0,0]=4 14795 B9R1.11 COC(C)C1CCCC1 34a_100011216366_200000210301 [1,0,0,1,0,0|1,0,1]=4 14796 B9R1.11 COC(C)C1CCCC1 7a_100011216366_200000210301 [1,0,0,1,0,0|1,0,1]=4 14797 B9R1.11 O=C(CF)C1CCCC1 1458a_100000210718_100015361967 [1,0,0,1,0,0|1,0,0]=3 14798 B9R1.11 O=C(CF)C1CCCS1 1458a_100012002731_100015361967 [1,0,0,1,0,0|2,0,0]=4 14799 B9R1.11 O=C(CF)C1CCOC1 1458a_100011219752_100015361967 [1,0,0,1,0,0|2,0,0]=4 14800 B9R1.11 O=C(CF)[C@@H]1CCCO1 1458a_100000686382_100015361967 [1,0,0,1,0,0|2,0,0]=4 14801 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [1,0,0,1,0,0|1,0,0]=3 14802 B9R1.11 O=C(CO)C1CCOC1 1458a_100000210174_100000690089 [1,0,0,1,0,0|2,0,0]=4 14803 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 14804 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [1,0,0,1,0,0|2,0,0]=4 14805 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 14806 B9R1.78 CCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000210414 [1,0,0,1,0,0|2,0,0]=4 14807 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 14808 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 14809 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 14810 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000210414 [1,0,0,1,0,0|2,0,0]=4 14811 B9R1.79 C#CC(=O)CC1CCC1 1458a_100000211873_100000763275 [1,0,0,1,0,0|0,0,2]=4 14812 B9R1.79 C=CC(=O)CC1CCC1 1458a_100000185746_100000763275 [1,0,0,1,0,0|0,0,2]=4 14813 B9R1.79 CCC(=O)C=C1CCC1 1458a_100000686340_100000210202 [1,0,0,1,0,0|0,0,2]=4 14814 B9R1.79 CCC(=O)CC1CCC1 1458a_100000210414_100000763275 [1,0,0,1,0,0|0,0,0]=2 14815 B9R1.79 CCC(=O)CC1CCC1 1458a_100000763092_100000210202 [1,0,0,1,0,0|0,0,0]=2 14816 B9R1.79 CCC(=O)CC1CCO1 1458a_100000210414_100000103362 [1,0,0,1,0,0|1,0,0]=3 14817 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [1,0,0,1,0,0|1,0,0]=3 14818 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [1,0,0,1,0,0|1,0,0]=3 14819 B9R1.79 CCC(=O)CN1CCC1 269982a_100000754969_100000747405 [1,0,0,1,0,0|1,0,0]=3 14820 B9R1.79 CCC(=O)NC1CCC1 11a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 14821 B9R1.79 CCC(=O)NC1CCC1 1626a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 14822 B9R1.79 CCC(=O)NC1CCC1 240690a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 14823 B9R1.79 CCC(=O)NC1CCC1 527a_100000749019_100000210414 [1,0,0,1,0,0|1,0,0]=3 14824 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 14825 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 14826 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 14827 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [1,0,0,1,0,0|2,0,0]=4 14828 B9R1.79 CCC(=O)NC1CSC1 11a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 14829 B9R1.79 CCC(=O)NC1CSC1 1626a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 14830 B9R1.79 CCC(=O)NC1CSC1 240690a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 14831 B9R1.79 CCC(=O)NC1CSC1 527a_100016994217_100000210414 [1,0,0,1,0,0|2,0,0]=4 14832 B9R1.79 CCN(C)CC1CCC1 2230a_100000225621_100000763275 [1,0,0,1,0,0|2,0,0]=4 14833 B9R1.79 CCN(C)CC1CCC1 2230a_200000750244_100000210202 [1,0,0,1,0,0|2,0,0]=4 14834 B9R1.79 CCN(C)CC1CCC1 269982a_100000225621_100000763275 [1,0,0,1,0,0|2,0,0]=4 14835 B9R1.79 CCN(C)CC1CCC1 269982a_200000750244_100000204670 [1,0,0,1,0,0|2,0,0]=4 14836 B9R1.79 CCN(C)CC1CCC1 34a_200000750244_100000210202 [1,0,0,1,0,0|2,0,0]=4 14837 B9R1.79 CNC(=O)CC1CCC1 11a_106832991635_100000763092 [1,0,0,1,0,0|1,0,0]=3 14838 B9R1.79 CNC(=O)CC1CCC1 1626a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 14839 B9R1.79 CNC(=O)CC1CCC1 240690a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 14840 B9R1.79 CNC(=O)CC1CCC1 527a_100102657272_100000763092 [1,0,0,1,0,0|1,0,0]=3 14841 B9R1.79 CNC(=O)CC1COC1 11a_106832991635_100000687760 [1,0,0,1,0,0|2,0,0]=4 14842 B9R1.79 CNC(=O)CC1COC1 1626a_100102657272_100000687760 [1,0,0,1,0,0|2,0,0]=4 14843 B9R1.79 CNC(=O)CN1CCC1 269982a_100000754969_100000183359 [1,0,0,1,0,0|2,0,0]=4 14844 B9R1.79 CNC(=O)NC1CCC1 2708a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 14845 B9R1.79 CNC(=O)NC1CCC1 273464a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 14846 B9R1.79 CNC(=O)NC1CCC1 273464a_100102657272_100000749019 [1,0,0,1,0,0|2,0,0]=4 14847 B9R1.79 CNC(=O)NC1CCC1 512a_100000749019_100102657272 [1,0,0,1,0,0|2,0,0]=4 14848 B9R1.79 CNC(=O)NC1CCC1 512a_106832991638_100000749019 [1,0,0,1,0,0|2,0,0]=4 14849 B9R1.79 COC(=O)CN1CCC1 269982a_100000754969_100000747449 [1,0,0,1,0,0|1,0,0]=3 14850 B9R1.79 O=C(CF)CC1CCC1 1458a_100000763092_100015361967 [1,0,0,1,0,0|1,0,0]=3 14851 B9R1.79 O=C(CF)CC1COC1 1458a_100000687760_100015361967 [1,0,0,1,0,0|2,0,0]=4 14852 B9R1.79 O=C(CO)CC1CCC1 1458a_100000210174_100000763275 [1,0,0,1,0,0|1,0,0]=3 14853 B9R1.79 O=C(CO)CC1CCO1 1458a_100000210174_100000103362 [1,0,0,1,0,0|2,0,0]=4 14854 B9R1.79 O=C(CO)CC1COC1 1458a_100000210174_100010264016 [1,0,0,1,0,0|2,0,0]=4 14855 B9R1.79 O=C(CO)NC1CCC1 240690a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 14856 B9R1.79 O=C(CO)NC1CCC1 527a_100000749019_100000210174 [1,0,0,1,0,0|2,0,0]=4 14857 B9R1.80 C#CC(=O)CCC1CC1 1458a_100000211873_100000694398 [1,0,0,1,0,0|0,0,2]=4 14858 B9R1.80 C=CC(=O)CCC1CC1 1458a_100000185746_100000694398 [1,0,0,1,0,0|0,0,2]=4 14859 B9R1.80 CCC(=O)C=CC1CC1 1458a_100102529529_100000210202 [1,0,0,1,0,0|0,0,2]=4 14860 B9R1.80 CCC(=O)CCC1CC1 1458a_100000210414_100000694398 [1,0,0,1,0,0|0,0,0]=2 14861 B9R1.80 CCC(=O)CCC1CC1 1458a_100000756386_100000210202 [1,0,0,1,0,0|0,0,0]=2 14862 B9R1.80 CCC(=O)CCC1CO1 1458a_100000210414_100000732470 [1,0,0,1,0,0|1,0,0]=3 14863 B9R1.80 CCC(=O)COC1CC1 34a_100000725409_100000211595 [1,0,0,1,0,0|1,0,0]=3 14864 B9R1.80 CCC(=O)CSC1CC1 62a_100000747405_100000211595 [1,0,0,1,0,0|1,0,0]=3 14865 B9R1.80 CCC(=O)NCC1CC1 11a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 14866 B9R1.80 CCC(=O)NCC1CC1 1626a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 14867 B9R1.80 CCC(=O)NCC1CC1 240690a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 14868 B9R1.80 CCC(=O)NCC1CC1 527a_100000735609_100000210414 [1,0,0,1,0,0|1,0,0]=3 14869 B9R1.80 CCC(=O)NNC1CC1 22a_100000701032_100000210414 [1,0,0,1,0,0|2,0,0]=4 14870 B9R1.80 CCN(C)CCC1CC1 2230a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 14871 B9R1.80 CCN(C)CCC1CC1 269982a_100000225621_100000694398 [1,0,0,1,0,0|2,0,0]=4 14872 B9R1.80 CNC(=O)CCC1CC1 11a_106832991635_100000756386 [1,0,0,1,0,0|1,0,0]=3 14873 B9R1.80 CNC(=O)CCC1CC1 1626a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 14874 B9R1.80 CNC(=O)CCC1CC1 240690a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 14875 B9R1.80 CNC(=O)CCC1CC1 527a_100102657272_100000756386 [1,0,0,1,0,0|1,0,0]=3 14876 B9R1.80 CNC(=O)CNC1CC1 34a_100000212008_100000183359 [1,0,0,1,0,0|2,0,0]=4 14877 B9R1.80 CNC(=O)COC1CC1 34a_100000750040_100000211595 [1,0,0,1,0,0|2,0,0]=4 14878 B9R1.80 CNC(=O)CSC1CC1 62a_100000183359_100000211595 [1,0,0,1,0,0|2,0,0]=4 14879 B9R1.80 CNC(=O)NCC1CC1 2708a_100000735609_106832991635 [1,0,0,1,0,0|2,0,0]=4 14880 B9R1.80 CNC(=O)NCC1CC1 2708a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 14881 B9R1.80 CNC(=O)NCC1CC1 273464a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 14882 B9R1.80 CNC(=O)NCC1CC1 273464a_100102657272_100000735609 [1,0,0,1,0,0|2,0,0]=4 14883 B9R1.80 CNC(=O)NCC1CC1 512a_100000735609_100102657272 [1,0,0,1,0,0|2,0,0]=4 14884 B9R1.80 CNC(=O)NCC1CC1 512a_106832991638_100000735609 [1,0,0,1,0,0|2,0,0]=4 14885 B9R1.80 COC(=O)CNC1CC1 34a_100000212008_100000747449 [1,0,0,1,0,0|1,0,0]=3 14886 B9R1.80 COC(=O)CSC1CC1 62a_100000747449_100000211595 [1,0,0,1,0,0|1,0,0]=3 14887 B9R1.80 O=C(CF)CCC1CC1 1458a_100000756386_100015361967 [1,0,0,1,0,0|1,0,0]=3 14888 B9R1.80 O=C(CO)CCC1CC1 1458a_100000210174_100000694398 [1,0,0,1,0,0|1,0,0]=3 14889 B9R1.80 O=C(CO)CCC1CO1 1458a_100000210174_100000732470 [1,0,0,1,0,0|2,0,0]=4 14890 B9R1.80 O=C(CO)NCC1CC1 240690a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 14891 B9R1.80 O=C(CO)NCC1CC1 527a_100000735609_100000210174 [1,0,0,1,0,0|2,0,0]=4 14892 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 14893 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [1,0,0,1,0,0|2,0,0]=4 14894 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [1,0,0,1,0,0|1,0,1]=4 14895 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 14896 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 14897 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [1,0,0,1,0,0|1,0,0]=3 14898 B9R1.81 CNC(=O)N1CCC1C 2708a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 14899 B9R1.81 CNC(=O)N1CCC1C 273464a_100102657272_100000755817 [1,0,0,1,0,0|2,0,0]=4 14900 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [1,0,0,1,0,0|1,0,0]=3 14901 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [1,0,0,1,0,0|1,0,0]=3 14902 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [1,0,0,1,0,0|1,0,0]=3 14903 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [1,0,0,1,0,0|1,0,0]=3 14904 B9R1.88 CCC(=O)C1CC1CC 1458a_200011661523_100000210202 [1,0,0,1,0,0|0,0,0]=2 14905 B9R1.88 CCC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_100000210202 [1,0,0,1,0,0|1,0,1]=4 14906 B9R1.88 CCC1CC1C(=O)CF 1458a_200011661523_100015361967 [1,0,0,1,0,0|1,0,0]=3 14907 B9R1.88 CCC1CC1C(=O)NC 11a_106832991635_200011661523 [1,0,0,1,0,0|1,0,0]=3 14908 B9R1.88 CCC1CC1C(=O)NC 1626a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 14909 B9R1.88 CCC1CC1C(=O)NC 240690a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 14910 B9R1.88 CCC1CC1C(=O)NC 527a_100102657272_200011661523 [1,0,0,1,0,0|1,0,0]=3 14911 B9R1.88 CCN1CC1C(=O)OC 2230a_200009830135_100000210202 [1,0,0,1,0,0|1,0,0]=3 14912 B9R1.118 CC1(CCCCC1)O[13CH3] 34a_100011215885_200025704644 [1,0,0,1,0,0|1,0,1]=4 14913 B9R1.118 CC1(CCCCC1)O[13CH3] 7a_100011215885_200025704644 [1,0,0,1,0,0|1,0,1]=4 14914 B9R1.118 COC1(CCCCC1)C 34a_100011215885_200000210301 [1,0,0,1,0,0|1,0,1]=4 14915 B9R1.118 COC1(CCCCC1)C 7a_100011215885_200000210301 [1,0,0,1,0,0|1,0,1]=4 14916 B11R1.4 CCCCCOC1CCCO1 34a_100000085407_100000718602 [0,1,0,1,0,0|1,0,1]=4 14917 B11R1.4 CCCCNCC1=NCCN1 7a_106832991798_100000737910 [0,1,0,1,0,0|2,0,0]=4 14918 B11R1.4 CCCCNCC1CCCO1 2230a_100000102301_100000203698 [0,1,0,1,0,0|1,0,1]=4 14919 B11R1.4 CCCCNCC1CCCO1 7a_106832991798_100000203698 [0,1,0,1,0,0|1,0,1]=4 14920 B11R1.4 CCCCNCC1OCCO1 2230a_100000036311_100000210211 [0,1,0,1,0,0|0,0,2]=4 14921 B11R1.4 CCCCNCC1OCCO1 2230a_100000102301_100000755774 [0,1,0,1,0,0|0,0,2]=4 14922 B11R1.4 CCCCNCC1OCCO1 34a_100000036311_100000210210 [0,1,0,1,0,0|0,0,2]=4 14923 B11R1.4 CCCCNCC1OCCO1 7a_106832991798_100000755774 [0,1,0,1,0,0|0,0,2]=4 14924 B11R1.4 CCCCNC[C@@H]1CCCO1 2230a_100020590478_100000210211 [0,1,0,1,0,0|1,0,1]=4 14925 B11R1.4 CCCCNC[C@@H]1CCCO1 34a_100020590478_100000210210 [0,1,0,1,0,0|1,0,1]=4 14926 B11R1.4 CCCCOCC1=NCCN1 34a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 14927 B11R1.4 CCCCOCC1=NCCN1 7a_100000210227_100000737910 [0,1,0,1,0,0|2,0,0]=4 14928 B11R1.4 CCCCOCC1CCCO1 34a_100000210270_100000210210 [0,1,0,1,0,0|1,0,1]=4 14929 B11R1.4 CCCCOCC1CCCO1 7a_100000210227_100000203698 [0,1,0,1,0,0|1,0,1]=4 14930 B11R1.4 CCCCOCC1CCCO1 7a_100000210270_100000210211 [0,1,0,1,0,0|1,0,1]=4 14931 B11R1.4 CCCCOCC1OCCO1 34a_100000087154_100000210210 [0,1,0,1,0,0|0,0,2]=4 14932 B11R1.4 CCCCOCC1OCCO1 34a_100000210227_100000755774 [0,1,0,1,0,0|0,0,2]=4 14933 B11R1.4 CCCCOCC1OCCO1 7a_100000210227_100000755774 [0,1,0,1,0,0|0,0,2]=4 14934 B11R1.4 CCCCSCC1=NCCN1 62a_100000210211_100000737910 [0,1,0,1,0,0|2,0,0]=4 14935 B11R1.4 CCCCSCC1=NCCN1 62a_100000737910_100000210210 [0,1,0,1,0,0|2,0,0]=4 14936 B11R1.4 CCCCSCC1CCCO1 62a_100000203698_100000210210 [0,1,0,1,0,0|1,0,1]=4 14937 B11R1.4 CCCCSCC1CCCO1 62a_100000210211_100000203698 [0,1,0,1,0,0|1,0,1]=4 14938 B11R1.4 CCCCSCC1OCCO1 62a_100000210211_100000755774 [0,1,0,1,0,0|0,0,2]=4 14939 B11R1.4 CCCCSCC1OCCO1 62a_100000755774_100000210210 [0,1,0,1,0,0|0,0,2]=4 14940 B11R1.4 CCCNCCC1OCCO1 2230a_100000034215_100000210303 [0,1,0,1,0,0|0,0,2]=4 14941 B11R1.4 CCCNCCC1OCCO1 34a_100000034215_100000210303 [0,1,0,1,0,0|0,0,2]=4 14942 B11R1.4 CCCOCCC1OCCO1 34a_100000210258_100000740749 [0,1,0,1,0,0|0,0,2]=4 14943 B11R1.4 CCCSCCC1OCCO1 62a_100000210303_100000740749 [0,1,0,1,0,0|0,0,2]=4 14944 B11R1.4 CCNCCCC1OCCO1 2230a_100015525214_100000042513 [0,1,0,1,0,0|0,0,2]=4 14945 B11R1.4 CCOCCCC1OCCO1 34a_100009871617_100000210202 [0,1,0,1,0,0|0,0,2]=4 14946 B11R1.4 CCOCCCC1OCCO1 34a_100121572206_100009861162 [0,1,0,1,0,0|0,0,2]=4 14947 B11R1.4 CCOCCCC1OCCO1 7a_100009871617_100000210202 [0,1,0,1,0,0|0,0,2]=4 14948 B11R1.4 CCSCCCC1OCCO1 62a_100000210202_100000042513 [0,1,0,1,0,0|0,0,2]=4 14949 B11R1.4 CNCCCCC1OCCO1 2230a_106832991635_100000034956 [0,1,0,1,0,0|0,0,2]=4 14950 B11R1.4 CNCCCCC1OCCO1 34a_100102657272_200009813554 [0,1,0,1,0,0|0,0,2]=4 14951 B11R1.4 CNCCCCC1OCCO1 7a_106832991635_100000034956 [0,1,0,1,0,0|0,0,2]=4 14952 B11R1.4 COCCCCC1OCCO1 34a_100138415774_200009813554 [0,1,0,1,0,0|0,0,2]=4 14953 B11R1.4 CSCCCCC1OCCO1 62a_200000210301_100000034956 [0,1,0,1,0,0|0,0,2]=4 14954 B11R1.4 [13CH3]SCCCCC1OCCO1 62a_200025704644_100000034956 [0,1,0,1,0,0|0,0,2]=4 14955 B11R1.16 CC#CC(=O)C1CCCCC1 1458a_100000763181_100000210327 [0,1,0,1,0,0|1,0,1]=4 14956 B11R1.16 CC#CC(=O)C1CCCOC1 1458a_100000763181_100000693364 [0,1,0,1,0,0|1,0,1]=4 14957 B11R1.16 CC#CC(=O)C1CCOCC1 1458a_100000763181_100011324220 [0,1,0,1,0,0|1,0,1]=4 14958 B11R1.16 CC=CC(=O)C1CCCCC1 1458a_100000210699_100000210327 [0,1,0,1,0,0|1,0,1]=4 14959 B11R1.16 CC=CC(=O)C1CCCOC1 1458a_100000210699_100000693364 [0,1,0,1,0,0|1,0,1]=4 14960 B11R1.16 CC=CC(=O)C1CCOCC1 1458a_100000210699_100011324220 [0,1,0,1,0,0|1,0,1]=4 14961 B11R1.16 CCCC(=O)C1=CCCCC1 1458a_100000765259_100000210303 [0,1,0,1,0,0|1,0,1]=4 14962 B11R1.16 CCCC(=O)C1C=CCCC1 1458a_100000211992_100000751183 [0,1,0,1,0,0|1,0,1]=4 14963 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000210647_100000210303 [0,1,0,1,0,0|1,0,0]=3 14964 B11R1.16 CCCC(=O)C1CCCCC1 1458a_100000211992_100000210327 [0,1,0,1,0,0|1,0,0]=3 14965 B11R1.16 CCCC(=O)C1CCCCO1 1458a_100000748299_100000210303 [0,1,0,1,0,0|1,0,0]=3 14966 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000211992_100000693364 [0,1,0,1,0,0|1,0,0]=3 14967 B11R1.16 CCCC(=O)C1CCCOC1 1458a_100000741522_100000210303 [0,1,0,1,0,0|1,0,0]=3 14968 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000195482_100000210303 [0,1,0,1,0,0|1,0,0]=3 14969 B11R1.16 CCCC(=O)C1CCOCC1 1458a_100000211992_100011324220 [0,1,0,1,0,0|1,0,0]=3 14970 B11R1.16 CCCC(=O)C1CCSCC1 1458a_100000755232_100000210303 [0,1,0,1,0,0|1,0,0]=3 14971 B11R1.16 CCCC(=O)C1COCCO1 1458a_100000045528_100000210303 [0,1,0,1,0,0|2,0,0]=4 14972 B11R1.16 CCCC(=O)C1SCCCS1 1458a_100000028545_100000210303 [0,1,0,1,0,0|2,0,0]=4 14973 B11R1.16 CCCC(=O)N1CCCOC1 11a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 14974 B11R1.16 CCCC(=O)N1CCCOC1 240690a_100000131196_100000211992 [0,1,0,1,0,0|2,0,0]=4 14975 B11R1.16 CCCC(=O)N1CCOCC1 11a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 14976 B11R1.16 CCCC(=O)N1CCOCC1 1626a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 14977 B11R1.16 CCCC(=O)N1CCOCC1 240690a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 14978 B11R1.16 CCCC(=O)N1CCOCC1 527a_100015191051_100000211992 [0,1,0,1,0,0|2,0,0]=4 14979 B11R1.16 CCCC(=O)N1CCSCC1 11a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 14980 B11R1.16 CCCC(=O)N1CCSCC1 240690a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 14981 B11R1.16 CCCC(=O)N1CCSCC1 527a_100000737611_100000211992 [0,1,0,1,0,0|2,0,0]=4 14982 B11R1.16 CCCC(=O)[C@H]1CC=CCC1 1458a_100009820709_100000210303 [0,1,0,1,0,0|1,0,1]=4 14983 B11R1.16 CCNC(=O)C1=CCCCC1 11a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 14984 B11R1.16 CCNC(=O)C1=CCCCC1 240690a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 14985 B11R1.16 CCNC(=O)C1=CCCCC1 527a_100015525214_100000765259 [0,1,0,1,0,0|1,0,1]=4 14986 B11R1.16 CCNC(=O)C1CCCCC1 11a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 14987 B11R1.16 CCNC(=O)C1CCCCC1 240690a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 14988 B11R1.16 CCNC(=O)C1CCCCC1 527a_100015525214_100000210647 [0,1,0,1,0,0|1,0,0]=3 14989 B11R1.16 CCNC(=O)C1CCCCO1 11a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 14990 B11R1.16 CCNC(=O)C1CCCCO1 240690a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 14991 B11R1.16 CCNC(=O)C1CCCCO1 527a_100015525214_100000748299 [0,1,0,1,0,0|1,0,0]=3 14992 B11R1.16 CCNC(=O)C1CCCOC1 11a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 14993 B11R1.16 CCNC(=O)C1CCCOC1 240690a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 14994 B11R1.16 CCNC(=O)C1CCCOC1 527a_100015525214_100000741522 [0,1,0,1,0,0|1,0,0]=3 14995 B11R1.16 CCNC(=O)C1CCOCC1 11a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 14996 B11R1.16 CCNC(=O)C1CCOCC1 240690a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 14997 B11R1.16 CCNC(=O)C1CCOCC1 527a_100015525214_100000195482 [0,1,0,1,0,0|1,0,0]=3 14998 B11R1.16 CCNC(=O)C1CCSCC1 11a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 14999 B11R1.16 CCNC(=O)C1CCSCC1 240690a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 15000 B11R1.16 CCNC(=O)C1CCSCC1 527a_100015525214_100000755232 [0,1,0,1,0,0|1,0,0]=3 15001 B11R1.16 CCNC(=O)C1COCCO1 11a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 15002 B11R1.16 CCNC(=O)C1COCCO1 240690a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 15003 B11R1.16 CCNC(=O)C1COCCO1 527a_100015525214_100000045528 [0,1,0,1,0,0|2,0,0]=4 15004 B11R1.16 CCNC(=O)C1SCCCS1 11a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 15005 B11R1.16 CCNC(=O)C1SCCCS1 240690a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 15006 B11R1.16 CCNC(=O)C1SCCCS1 527a_100015525214_100000028545 [0,1,0,1,0,0|2,0,0]=4 15007 B11R1.16 CCNC(=O)N1CCCOC1 2708a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 15008 B11R1.16 CCNC(=O)N1CCCOC1 273464a_100015525214_100000131196 [0,1,0,1,0,0|2,0,0]=4 15009 B11R1.16 CCNC(=O)N1CCOCC1 2708a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 15010 B11R1.16 CCNC(=O)N1CCOCC1 273464a_100015525214_100015191051 [0,1,0,1,0,0|2,0,0]=4 15011 B11R1.16 CCNC(=O)N1CCSCC1 2708a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 15012 B11R1.16 CCNC(=O)N1CCSCC1 273464a_100015525214_100000737611 [0,1,0,1,0,0|2,0,0]=4 15013 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 11a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 15014 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 240690a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 15015 B11R1.16 CCNC(=O)[C@H]1CC=CCC1 527a_100015525214_100009820709 [0,1,0,1,0,0|1,0,1]=4 15016 B11R1.16 CCOC(C)C1CCCCC1 34a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 15017 B11R1.16 CCOC(C)C1CCCCC1 7a_100011216961_100000210202 [0,1,0,1,0,0|1,0,1]=4 15018 B11R1.16 CCOC(C)C1CCCNC1 34a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 15019 B11R1.16 CCOC(C)C1CCNCC1 34a_100011728446_100000210202 [0,1,0,1,0,0|1,0,1]=4 15020 B11R1.16 CCO[C@H](C)C1CCOCC1 34a_100000703848_100000210202 [0,1,0,1,0,0|1,0,1]=4 15021 B11R1.16 CCO[C@H](C)C1CCOCC1 7a_100000703848_100000210202 [0,1,0,1,0,0|1,0,1]=4 15022 B11R1.16 CNCC(=O)C1CCCCC1 2230a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 15023 B11R1.16 CNCC(=O)C1CCCCC1 34a_100102657272_100000241979 [0,1,0,1,0,0|2,0,0]=4 15024 B11R1.16 CNCC(=O)C1CCCCC1 7a_106832991635_100000241979 [0,1,0,1,0,0|2,0,0]=4 15025 B11R1.16 CNCC(=O)C1CCOCC1 2230a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 15026 B11R1.16 CNCC(=O)C1CCOCC1 34a_100102657272_100000689883 [0,1,0,1,0,0|2,0,0]=4 15027 B11R1.16 CNCC(=O)C1CCOCC1 7a_106832991635_100000689883 [0,1,0,1,0,0|2,0,0]=4 15028 B11R1.16 CNCC(=O)N1CCCCC1 2230a_100000751303_200000210301 [0,1,0,1,0,0|2,0,0]=4 15029 B11R1.16 CNCC(=O)N1CCCCC1 2230a_106832991635_100000183409 [0,1,0,1,0,0|2,0,0]=4 15030 B11R1.16 CNCC(=O)N1CCCCC1 34a_100102657272_100000183409 [0,1,0,1,0,0|2,0,0]=4 15031 B11R1.16 CNCC(=O)N1CCCCC1 7a_106832991635_100000183409 [0,1,0,1,0,0|2,0,0]=4 15032 B11R1.16 CNNC(=O)C1CCCCC1 22a_100016993582_100000210647 [0,1,0,1,0,0|2,0,0]=4 15033 B11R1.16 CNNC(=O)C1CCCCO1 22a_100016993582_100000748299 [0,1,0,1,0,0|2,0,0]=4 15034 B11R1.16 CNNC(=O)C1CCCOC1 22a_100016993582_100000741522 [0,1,0,1,0,0|2,0,0]=4 15035 B11R1.16 CNNC(=O)C1CCOCC1 22a_100016993582_100000195482 [0,1,0,1,0,0|2,0,0]=4 15036 B11R1.16 CNNC(=O)C1CCSCC1 22a_100016993582_100000755232 [0,1,0,1,0,0|2,0,0]=4 15037 B11R1.16 COCC(=O)C1CCCCC1 1458a_100000210968_100000210327 [0,1,0,1,0,0|2,0,0]=4 15038 B11R1.16 COCC(=O)C1CCCCC1 34a_100138415774_100000241979 [0,1,0,1,0,0|2,0,0]=4 15039 B11R1.16 COCC(=O)C1CCCOC1 1458a_100000210968_100000693364 [0,1,0,1,0,0|2,0,0]=4 15040 B11R1.16 COCC(=O)C1CCOCC1 1458a_100000210968_100011324220 [0,1,0,1,0,0|2,0,0]=4 15041 B11R1.16 COCC(=O)C1CCOCC1 34a_100138415774_100000689883 [0,1,0,1,0,0|2,0,0]=4 15042 B11R1.16 COCC(=O)N1CCCCC1 34a_100138415774_100000183409 [0,1,0,1,0,0|2,0,0]=4 15043 B11R1.16 COCC(=O)N1CCCCC1 7a_100011315646_200000210301 [0,1,0,1,0,0|2,0,0]=4 15044 B11R1.16 CSCC(=O)C1CCCCC1 1458a_100000184570_100000210327 [0,1,0,1,0,0|2,0,0]=4 15045 B11R1.16 CSCC(=O)C1CCCCC1 62a_100000241979_200000210301 [0,1,0,1,0,0|2,0,0]=4 15046 B11R1.16 CSCC(=O)C1CCCCC1 62a_200000210301_100000241979 [0,1,0,1,0,0|2,0,0]=4 15047 B11R1.16 CSCC(=O)C1CCCOC1 1458a_100000184570_100000693364 [0,1,0,1,0,0|2,0,0]=4 15048 B11R1.16 CSCC(=O)C1CCOCC1 1458a_100000184570_100011324220 [0,1,0,1,0,0|2,0,0]=4 15049 B11R1.16 CSCC(=O)C1CCOCC1 62a_100000689883_200000210301 [0,1,0,1,0,0|2,0,0]=4 15050 B11R1.16 CSCC(=O)C1CCOCC1 62a_200000210301_100000689883 [0,1,0,1,0,0|2,0,0]=4 15051 B11R1.16 CSCC(=O)N1CCCCC1 62a_100000183409_200000210301 [0,1,0,1,0,0|2,0,0]=4 15052 B11R1.16 CSCC(=O)N1CCCCC1 62a_200000210301_100000183409 [0,1,0,1,0,0|2,0,0]=4 15053 B11R1.16 O=C(CCF)C1CCCCC1 1458a_100000210647_100011217306 [0,1,0,1,0,0|2,0,0]=4 15054 B11R1.16 O=C(CCF)C1CCCCO1 1458a_100000748299_100011217306 [0,1,0,1,0,0|2,0,0]=4 15055 B11R1.16 O=C(CCF)C1CCCOC1 1458a_100000741522_100011217306 [0,1,0,1,0,0|2,0,0]=4 15056 B11R1.16 O=C(CCF)C1CCOCC1 1458a_100000195482_100011217306 [0,1,0,1,0,0|2,0,0]=4 15057 B11R1.16 O=C(CCF)C1CCSCC1 1458a_100000755232_100011217306 [0,1,0,1,0,0|2,0,0]=4 15058 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100000210647_100000211926 [0,1,0,1,0,0|2,0,0]=4 15059 B11R1.16 O=C(CCO)C1CCCCC1 1458a_100011216618_100000210327 [0,1,0,1,0,0|2,0,0]=4 15060 B11R1.16 O=C(CCO)C1CCCCO1 1458a_100000748299_100000211926 [0,1,0,1,0,0|2,0,0]=4 15061 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100000741522_100000211926 [0,1,0,1,0,0|2,0,0]=4 15062 B11R1.16 O=C(CCO)C1CCCOC1 1458a_100011216618_100000693364 [0,1,0,1,0,0|2,0,0]=4 15063 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100000195482_100000211926 [0,1,0,1,0,0|2,0,0]=4 15064 B11R1.16 O=C(CCO)C1CCOCC1 1458a_100011216618_100011324220 [0,1,0,1,0,0|2,0,0]=4 15065 B11R1.16 O=C(CCO)C1CCSCC1 1458a_100000755232_100000211926 [0,1,0,1,0,0|2,0,0]=4 15066 B11R1.16 [13CH3]NCC(=O)N1CCCCC1 2230a_100000751303_200025704644 [0,1,0,1,0,0|2,0,0]=4 15067 B11R1.16 [13CH3]OCC(=O)N1CCCCC1 7a_100011315646_200025704644 [0,1,0,1,0,0|2,0,0]=4 15068 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_100000241979_200025704644 [0,1,0,1,0,0|2,0,0]=4 15069 B11R1.16 [13CH3]SCC(=O)C1CCCCC1 62a_200025704644_100000241979 [0,1,0,1,0,0|2,0,0]=4 15070 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_100000689883_200025704644 [0,1,0,1,0,0|2,0,0]=4 15071 B11R1.16 [13CH3]SCC(=O)C1CCOCC1 62a_200025704644_100000689883 [0,1,0,1,0,0|2,0,0]=4 15072 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_100000183409_200025704644 [0,1,0,1,0,0|2,0,0]=4 15073 B11R1.16 [13CH3]SCC(=O)N1CCCCC1 62a_200025704644_100000183409 [0,1,0,1,0,0|2,0,0]=4 15074 B11R1.24 C#CCCN1CCOC(=O)C1 2230a_100000131268_100000688953 [0,1,0,1,0,0|0,0,2]=4 15075 B11R1.24 C=CCCN1CCOC(=O)C1 2230a_100000131268_100000754431 [0,1,0,1,0,0|0,0,2]=4 15076 B11R1.24 CC#CCN1CCOC(=O)C1 2230a_100000131268_100000748600 [0,1,0,1,0,0|0,0,2]=4 15077 B11R1.24 CC1CCCC(C1)OCCF 34a_100000211399_100011217306 [0,1,0,1,0,0|1,0,1]=4 15078 B11R1.24 CC1CCCC(C1)OCCO 34a_100000211399_100000211926 [0,1,0,1,0,0|1,0,1]=4 15079 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|0,0,2]=4 15080 B11R1.24 CCCCN1CCC=C(C1)C 2230a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 15081 B11R1.24 CCCCN1CCC=C(C1)C 269982a_100000725631_100000210211 [0,1,0,1,0,0|2,0,0]=4 15082 B11R1.24 CCCCN1CCC=C(C1)C 34a_100000725631_100000210210 [0,1,0,1,0,0|2,0,0]=4 15083 B11R1.24 CCCCN1CCNC(=O)C1 2230a_100000184651_100000210211 [0,1,0,1,0,0|1,0,0]=3 15084 B11R1.24 CCCCN1CCOC(=O)C1 2230a_100000131268_100000210211 [0,1,0,1,0,0|0,0,0]=2 15085 B11R1.24 CCCCN1CCOC(C1)C 2230a_100000729577_100000210211 [0,1,0,1,0,0|1,0,1]=4 15086 B11R1.24 CCCCN1CCOC(C1)C 269982a_100000729577_100000210211 [0,1,0,1,0,0|1,0,1]=4 15087 B11R1.24 CCCCN1CCOC(C1)C 34a_100000729577_100000210210 [0,1,0,1,0,0|1,0,1]=4 15088 B11R1.24 CCCCN1CCOC(C1)O 2230a_100000688207_100000210211 [0,1,0,1,0,0|0,0,2]=4 15089 B11R1.24 CCCCN1CCOC(C1)O 269982a_100000688207_100000210211 [0,1,0,1,0,0|0,0,2]=4 15090 B11R1.24 CCCNC1CCNC(=O)C1 2230a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 15091 B11R1.24 CCCNC1CCNC(=O)C1 34a_100016994916_100000210303 [0,1,0,1,0,0|1,0,0]=3 15092 B11R1.24 CCCNC1CCOC(C1)C 270004a_100020643023_100000755752 [0,1,0,1,0,0|1,0,1]=4 15093 B11R1.24 CCCOC1CCCC(=O)C1 34a_100012613340_100000210303 [0,1,0,1,0,0|1,0,0]=3 15094 B11R1.24 CCCOC1CCCC(C1)C 34a_100000211399_100000210303 [0,1,0,1,0,0|1,0,1]=4 15095 B11R1.24 CCCOC1CCOC(C1)C 34a_100011986385_100000210303 [0,1,0,1,0,0|1,0,1]=4 15096 B11R1.24 CCCOC1CCOC(C1)C 7a_100011986385_100000210303 [0,1,0,1,0,0|1,0,1]=4 15097 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 34a_100015189427_100000210303 [0,1,0,1,0,0|1,0,0]=3 15098 B11R1.24 CCNN=C1CCCC(C1)C 4a_100000756455_100000183594 [0,1,0,1,0,0|2,0,0]=4 15099 B11R1.24 CCOCC1CCCC(=O)N1 34a_200000102386_100000210202 [0,1,0,1,0,0|2,0,0]=4 15100 B11R1.24 CCOCC1CCNC(=O)C1 34a_100009886756_100000210202 [0,1,0,1,0,0|1,0,0]=3 15101 B11R1.24 CCOCN1CCC[C@@H](C1)C 269982a_100000717927_100000739092 [0,1,0,1,0,0|2,0,0]=4 15102 B11R1.24 COCCN1CCNC(=O)C1 2230a_100000184651_100011201679 [0,1,0,1,0,0|2,0,0]=4 15103 B11R1.24 COCCN1CCOC(=O)C1 2230a_100000131268_100011201679 [0,1,0,1,0,0|1,0,0]=3 15104 B11R1.24 COCNC1CCNC(=O)C1 2230a_100016994916_100000766300 [0,1,0,1,0,0|2,0,0]=4 15105 B11R1.24 CSCCN1CCNC(=O)C1 2230a_100000184651_100000751147 [0,1,0,1,0,0|2,0,0]=4 15106 B11R1.24 CSCCN1CCOC(=O)C1 2230a_100000131268_100000751147 [0,1,0,1,0,0|1,0,0]=3 15107 B11R1.24 CSCNC1CCNC(=O)C1 2230a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 15108 B11R1.24 CSCNC1CCNC(=O)C1 34a_100016994916_100011218213 [0,1,0,1,0,0|2,0,0]=4 15109 B11R1.24 CSCOC1CCCC(=O)C1 34a_100012613340_100011218213 [0,1,0,1,0,0|2,0,0]=4 15110 B11R1.24 CSCOC1CCCC(C1)C 34a_100000211399_100011218213 [0,1,0,1,0,0|1,0,1]=4 15111 B11R1.24 CSCO[C@@H]1CCNC(=O)C1 34a_100015189427_100011218213 [0,1,0,1,0,0|2,0,0]=4 15112 B11R1.24 N#CCCN1CCOC(=O)C1 2230a_100000131268_100011215226 [0,1,0,1,0,0|1,0,1]=4 15113 B11R1.24 O=C1CC(CCN1)COCF 34a_100009886756_100015361967 [0,1,0,1,0,0|2,0,0]=4 15114 B11R1.24 O=C1CC(CCN1)NCCF 2230a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 15115 B11R1.24 O=C1CC(CCN1)NCCF 34a_100016994916_100011217306 [0,1,0,1,0,0|2,0,0]=4 15116 B11R1.24 O=C1CC(CCN1)NCCO 2230a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 15117 B11R1.24 O=C1CC(CCN1)NCCO 34a_100016994916_100000211926 [0,1,0,1,0,0|2,0,0]=4 15118 B11R1.24 O=C1CCCC(C1)OCCF 34a_100012613340_100011217306 [0,1,0,1,0,0|2,0,0]=4 15119 B11R1.24 O=C1CCCC(C1)OCCO 34a_100012613340_100000211926 [0,1,0,1,0,0|2,0,0]=4 15120 B11R1.24 O=C1CN(CCN1)CCCF 2230a_100000184651_100011934791 [0,1,0,1,0,0|2,0,0]=4 15121 B11R1.24 O=C1CN(CCN1)CCCO 2230a_100000184651_100000230001 [0,1,0,1,0,0|2,0,0]=4 15122 B11R1.24 O=C1CN(CCO1)CCCF 2230a_100000131268_100011934791 [0,1,0,1,0,0|1,0,0]=3 15123 B11R1.24 O=C1CN(CCO1)CCCO 2230a_100000131268_100000230001 [0,1,0,1,0,0|1,0,0]=3 15124 B11R1.24 O=C1C[C@@H](CCN1)OCCF 34a_100015189427_100011217306 [0,1,0,1,0,0|2,0,0]=4 15125 B11R1.24 O=C1C[C@@H](CCN1)OCCO 34a_100015189427_100000211926 [0,1,0,1,0,0|2,0,0]=4 15126 B11R1.30 C=COC(=O)CN1CCCC1 2230a_100000188435_100000036128 [0,1,0,1,0,0|0,0,2]=4 15127 B11R1.30 C=COC(=O)CN1CCCC1 269982a_100000188435_100000036128 [0,1,0,1,0,0|0,0,2]=4 15128 B11R1.30 CC#CC(=O)CC1CCCC1 1458a_100000763181_100000740388 [0,1,0,1,0,0|1,0,1]=4 15129 B11R1.30 CC#CC(=O)CC1CCCO1 1458a_100000763181_100000203698 [0,1,0,1,0,0|1,0,1]=4 15130 B11R1.30 CC#CC(=O)CC1CCOC1 1458a_100000763181_100000702531 [0,1,0,1,0,0|1,0,1]=4 15131 B11R1.30 CC=CC(=O)CC1CCCC1 1458a_100000210699_100000740388 [0,1,0,1,0,0|1,0,1]=4 15132 B11R1.30 CC=CC(=O)CC1CCCO1 1458a_100000210699_100000203698 [0,1,0,1,0,0|1,0,1]=4 15133 B11R1.30 CC=CC(=O)CC1CCOC1 1458a_100000210699_100000702531 [0,1,0,1,0,0|1,0,1]=4 15134 B11R1.30 CC=CC(=O)NC1CCCC1 11a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 15135 B11R1.30 CC=CC(=O)NC1CCCC1 1626a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 15136 B11R1.30 CC=CC(=O)NC1CCCC1 240690a_100000211070_100000210699 [0,1,0,1,0,0|1,0,1]=4 15137 B11R1.30 CCCC(=O)C=C1CCCC1 1458a_100000743260_100000210303 [0,1,0,1,0,0|1,0,1]=4 15138 B11R1.30 CCCC(=O)CC1=CCCC1 1458a_100000050221_100000210303 [0,1,0,1,0,0|1,0,1]=4 15139 B11R1.30 CCCC(=O)CC1C=CCC1 1458a_100000212241_100000210303 [0,1,0,1,0,0|1,0,1]=4 15140 B11R1.30 CCCC(=O)CC1CC=CC1 1458a_200000137526_100000210303 [0,1,0,1,0,0|1,0,1]=4 15141 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000210891_100000210303 [0,1,0,1,0,0|1,0,0]=3 15142 B11R1.30 CCCC(=O)CC1CCCC1 1458a_100000211992_100000740388 [0,1,0,1,0,0|1,0,0]=3 15143 B11R1.30 CCCC(=O)CC1CCCO1 1458a_100000211992_100000203698 [0,1,0,1,0,0|1,0,0]=3 15144 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100000211992_100000702531 [0,1,0,1,0,0|1,0,0]=3 15145 B11R1.30 CCCC(=O)CC1CCOC1 1458a_100011218419_100000210303 [0,1,0,1,0,0|1,0,0]=3 15146 B11R1.30 CCCC(=O)CC1OCCO1 1458a_100000211992_100000755774 [0,1,0,1,0,0|2,0,0]=4 15147 B11R1.30 CCCC(=O)CN1CCCC1 1458a_100000740243_100000210303 [0,1,0,1,0,0|1,0,0]=3 15148 B11R1.30 CCCC(=O)CN1CCCC1 2230a_100000188435_100000747444 [0,1,0,1,0,0|1,0,0]=3 15149 B11R1.30 CCCC(=O)CN1CCCC1 269982a_100000188435_100000747444 [0,1,0,1,0,0|1,0,0]=3 15150 B11R1.30 CCCC(=O)CN1CCSC1 2230a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 15151 B11R1.30 CCCC(=O)CN1CCSC1 269982a_100011215254_100000747444 [0,1,0,1,0,0|2,0,0]=4 15152 B11R1.30 CCCC(=O)NC1CCCC1 11a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 15153 B11R1.30 CCCC(=O)NC1CCCC1 1626a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 15154 B11R1.30 CCCC(=O)NC1CCCC1 240690a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 15155 B11R1.30 CCCC(=O)NC1CCCC1 527a_100000211070_100000211992 [0,1,0,1,0,0|1,0,0]=3 15156 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 240690a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 15157 B11R1.30 CCCC(=O)N[C@@H]1CCOC1 527a_200015188469_100000211992 [0,1,0,1,0,0|2,0,0]=4 15158 B11R1.30 CCCC(=O)N[C@H]1CCOC1 11a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 15159 B11R1.30 CCCC(=O)N[C@H]1CCOC1 1626a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 15160 B11R1.30 CCCC(=O)N[C@H]1CCOC1 240690a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 15161 B11R1.30 CCCC(=O)N[C@H]1CCOC1 527a_100015188467_100000211992 [0,1,0,1,0,0|2,0,0]=4 15162 B11R1.30 CCNC(=O)C=C1CCCC1 11a_100015525214_100000743260 [0,1,0,1,0,0|1,0,1]=4 15163 B11R1.30 CCNC(=O)C=C1CCCC1 240690a_100015525214_100000743260 [0,1,0,1,0,0|1,0,1]=4 15164 B11R1.30 CCNC(=O)C=C1CCCC1 527a_100015525214_100000743260 [0,1,0,1,0,0|1,0,1]=4 15165 B11R1.30 CCNC(=O)CC1=CCCC1 11a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 15166 B11R1.30 CCNC(=O)CC1=CCCC1 240690a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 15167 B11R1.30 CCNC(=O)CC1=CCCC1 527a_100015525214_100000050221 [0,1,0,1,0,0|1,0,1]=4 15168 B11R1.30 CCNC(=O)CC1C=CCC1 11a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 15169 B11R1.30 CCNC(=O)CC1C=CCC1 240690a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 15170 B11R1.30 CCNC(=O)CC1C=CCC1 527a_100015525214_100000212241 [0,1,0,1,0,0|1,0,1]=4 15171 B11R1.30 CCNC(=O)CC1CC=CC1 11a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 15172 B11R1.30 CCNC(=O)CC1CC=CC1 240690a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 15173 B11R1.30 CCNC(=O)CC1CC=CC1 527a_100015525214_200000137526 [0,1,0,1,0,0|1,0,1]=4 15174 B11R1.30 CCNC(=O)CC1CCCC1 11a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 15175 B11R1.30 CCNC(=O)CC1CCCC1 240690a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 15176 B11R1.30 CCNC(=O)CC1CCCC1 527a_100015525214_100000210891 [0,1,0,1,0,0|1,0,0]=3 15177 B11R1.30 CCNC(=O)CC1CCOC1 11a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 15178 B11R1.30 CCNC(=O)CC1CCOC1 240690a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 15179 B11R1.30 CCNC(=O)CC1CCOC1 527a_100015525214_100011218419 [0,1,0,1,0,0|1,0,0]=3 15180 B11R1.30 CCNC(=O)CN1CCCC1 2230a_100000188435_100000183381 [0,1,0,1,0,0|1,0,0]=3 15181 B11R1.30 CCNC(=O)CN1CCCC1 240690a_100015525214_100000740243 [0,1,0,1,0,0|1,0,0]=3 15182 B11R1.30 CCNC(=O)CN1CCCC1 269982a_100000188435_100000183381 [0,1,0,1,0,0|1,0,0]=3 15183 B11R1.30 CCNC(=O)CN1CCCC1 527a_100015525214_100000740243 [0,1,0,1,0,0|1,0,0]=3 15184 B11R1.30 CCNC(=O)CN1CCSC1 2230a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 15185 B11R1.30 CCNC(=O)CN1CCSC1 269982a_100011215254_100000183381 [0,1,0,1,0,0|2,0,0]=4 15186 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 15187 B11R1.30 CCNC(=O)NC1CCCC1 2708a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 15188 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 15189 B11R1.30 CCNC(=O)NC1CCCC1 273464a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 15190 B11R1.30 CCNC(=O)NC1CCCC1 512a_100000211070_100015525214 [0,1,0,1,0,0|1,0,0]=3 15191 B11R1.30 CCNC(=O)NC1CCCC1 512a_100015525214_100000211070 [0,1,0,1,0,0|1,0,0]=3 15192 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 15193 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 2708a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 15194 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 15195 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 273464a_200015188469_100015525214 [0,1,0,1,0,0|2,0,0]=4 15196 B11R1.30 CCNC(=O)N[C@@H]1CCOC1 512a_100015525214_200015188469 [0,1,0,1,0,0|2,0,0]=4 15197 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 15198 B11R1.30 CCNC(=O)N[C@H]1CCOC1 2708a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 15199 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 15200 B11R1.30 CCNC(=O)N[C@H]1CCOC1 273464a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 15201 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015188467_100015525214 [0,1,0,1,0,0|2,0,0]=4 15202 B11R1.30 CCNC(=O)N[C@H]1CCOC1 512a_100015525214_100015188467 [0,1,0,1,0,0|2,0,0]=4 15203 B11R1.30 CCOC(=O)CN1CC=CC1 269982a_100015195280_100000188475 [0,1,0,1,0,0|0,0,2]=4 15204 B11R1.30 CCOC(=O)CN1CCCC1 2230a_100000188435_100000188475 [0,1,0,1,0,0|0,0,0]=2 15205 B11R1.30 CCOC(=O)CN1CCCC1 269982a_100000188435_100000188475 [0,1,0,1,0,0|0,0,0]=2 15206 B11R1.30 CCOC(=O)CN1CCSC1 2230a_100011215254_100000188475 [0,1,0,1,0,0|1,0,0]=3 15207 B11R1.30 CCOC(=O)CN1CCSC1 269982a_100011215254_100000188475 [0,1,0,1,0,0|1,0,0]=3 15208 B11R1.30 CNCC(=O)NC1CCCC1 2230a_100000747513_200000210301 [0,1,0,1,0,0|2,0,0]=4 15209 B11R1.30 CNCC(=O)NC1CCCC1 2230a_106832991635_100000183512 [0,1,0,1,0,0|2,0,0]=4 15210 B11R1.30 CNCC(=O)NC1CCCC1 34a_100102657272_100000183512 [0,1,0,1,0,0|2,0,0]=4 15211 B11R1.30 CNCC(=O)NC1CCCC1 7a_106832991635_100000183512 [0,1,0,1,0,0|2,0,0]=4 15212 B11R1.30 CNNC(=O)CC1CCCC1 22a_100016993582_100000210891 [0,1,0,1,0,0|2,0,0]=4 15213 B11R1.30 CNNC(=O)CC1CCOC1 22a_100016993582_100011218419 [0,1,0,1,0,0|2,0,0]=4 15214 B11R1.30 CNNC(=O)CN1CCCC1 22a_100016993582_100000740243 [0,1,0,1,0,0|2,0,0]=4 15215 B11R1.30 CNNC(=O)NC1CCCC1 273464a_100000211070_100016993582 [0,1,0,1,0,0|2,0,0]=4 15216 B11R1.30 CNNC(=O)NC1CCCC1 512a_100000211070_100016993582 [0,1,0,1,0,0|2,0,0]=4 15217 B11R1.30 CNNC(=O)NC1CCCC1 512a_100016993582_100000211070 [0,1,0,1,0,0|2,0,0]=4 15218 B11R1.30 COCC(=O)CC1CCCC1 1458a_100000210968_100000740388 [0,1,0,1,0,0|2,0,0]=4 15219 B11R1.30 COCC(=O)CC1CCCO1 1458a_100000210968_100000203698 [0,1,0,1,0,0|2,0,0]=4 15220 B11R1.30 COCC(=O)CC1CCOC1 1458a_100000210968_100000702531 [0,1,0,1,0,0|2,0,0]=4 15221 B11R1.30 COCC(=O)NC1CCCC1 11a_100000211070_100000210968 [0,1,0,1,0,0|2,0,0]=4 15222 B11R1.30 COCC(=O)NC1CCCC1 1626a_100000211070_100000210968 [0,1,0,1,0,0|2,0,0]=4 15223 B11R1.30 COCC(=O)NC1CCCC1 240690a_100000211070_100000210968 [0,1,0,1,0,0|2,0,0]=4 15224 B11R1.30 COCC(=O)NC1CCCC1 34a_100138415774_100000183512 [0,1,0,1,0,0|2,0,0]=4 15225 B11R1.30 COCC(=O)NC1CCCC1 527a_100000211070_100000210968 [0,1,0,1,0,0|2,0,0]=4 15226 B11R1.30 CSCC(=O)CC1CCCC1 1458a_100000184570_100000740388 [0,1,0,1,0,0|2,0,0]=4 15227 B11R1.30 CSCC(=O)CC1CCCO1 1458a_100000184570_100000203698 [0,1,0,1,0,0|2,0,0]=4 15228 B11R1.30 CSCC(=O)CC1CCOC1 1458a_100000184570_100000702531 [0,1,0,1,0,0|2,0,0]=4 15229 B11R1.30 CSCC(=O)NC1CCCC1 11a_100000211070_100000184570 [0,1,0,1,0,0|2,0,0]=4 15230 B11R1.30 CSCC(=O)NC1CCCC1 1626a_100000211070_100000184570 [0,1,0,1,0,0|2,0,0]=4 15231 B11R1.30 CSCC(=O)NC1CCCC1 240690a_100000211070_100000184570 [0,1,0,1,0,0|2,0,0]=4 15232 B11R1.30 CSCC(=O)NC1CCCC1 527a_100000211070_100000184570 [0,1,0,1,0,0|2,0,0]=4 15233 B11R1.30 CSCC(=O)NC1CCCC1 62a_100000183512_200000210301 [0,1,0,1,0,0|2,0,0]=4 15234 B11R1.30 CSCC(=O)NC1CCCC1 62a_200000210301_100000183512 [0,1,0,1,0,0|2,0,0]=4 15235 B11R1.30 O=C(CCF)CC1CCCC1 1458a_100000210891_100011217306 [0,1,0,1,0,0|2,0,0]=4 15236 B11R1.30 O=C(CCF)CC1CCOC1 1458a_100011218419_100011217306 [0,1,0,1,0,0|2,0,0]=4 15237 B11R1.30 O=C(CCF)CN1CCCC1 1458a_100000740243_100011217306 [0,1,0,1,0,0|2,0,0]=4 15238 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100000210891_100000211926 [0,1,0,1,0,0|2,0,0]=4 15239 B11R1.30 O=C(CCO)CC1CCCC1 1458a_100011216618_100000740388 [0,1,0,1,0,0|2,0,0]=4 15240 B11R1.30 O=C(CCO)CC1CCCO1 1458a_100011216618_100000203698 [0,1,0,1,0,0|2,0,0]=4 15241 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011216618_100000702531 [0,1,0,1,0,0|2,0,0]=4 15242 B11R1.30 O=C(CCO)CC1CCOC1 1458a_100011218419_100000211926 [0,1,0,1,0,0|2,0,0]=4 15243 B11R1.30 O=C(CCO)CN1CCCC1 1458a_100000740243_100000211926 [0,1,0,1,0,0|2,0,0]=4 15244 B11R1.30 O=C(CCO)NC1CCCC1 240690a_100000211070_100011216618 [0,1,0,1,0,0|2,0,0]=4 15245 B11R1.30 O=C(CN1CCCC1)NCO 2230a_100000188435_100000185155 [0,1,0,1,0,0|2,0,0]=4 15246 B11R1.30 O=C(CN1CCCC1)NCO 269982a_100000188435_100000185155 [0,1,0,1,0,0|2,0,0]=4 15247 B11R1.30 [13CH3]NCC(=O)NC1CCCC1 2230a_100000747513_200025704644 [0,1,0,1,0,0|2,0,0]=4 15248 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_100000183512_200025704644 [0,1,0,1,0,0|2,0,0]=4 15249 B11R1.30 [13CH3]SCC(=O)NC1CCCC1 62a_200025704644_100000183512 [0,1,0,1,0,0|2,0,0]=4 15250 B11R1.81 CNCC1CCC(=CC1C)C 269862a_106832991636_100000075207 [0,1,0,1,0,0|2,0,0]=4 15251 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,1,0,1,0,0|2,0,0]=4 15252 B11R1.117 CCOC1C=CCCCCC1 34a_100000688657_100000210202 [0,1,0,1,0,0|1,0,1]=4 15253 B11R1.117 CCOC1CCCCCCC1 34a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 15254 B11R1.117 CCOC1CCCCCCC1 7a_100000210054_100000210202 [0,1,0,1,0,0|1,0,1]=4 15255 B11R1.127 CCCN1CC[C@@H](C1)OCC 2230a_100011787710_100000210303 [0,1,0,1,0,0|1,0,1]=4 15256 B11R1.127 CCCN1CC[C@@H](C1)OCC 269982a_100011787710_100000210303 [0,1,0,1,0,0|1,0,1]=4 15257 B11R1.127 CCCN1CC[C@@H](C1)OCC 34a_100011787710_100000210303 [0,1,0,1,0,0|1,0,1]=4 15258 B11R1.135 CCCN1CCNC(=O)CC1 2230a_100000698595_100000210303 [0,1,0,1,0,0|1,0,0]=3 15259 B11R1.135 CCCN1CCNC(=O)CC1 269982a_100000698595_100000210303 [0,1,0,1,0,0|1,0,0]=3 15260 B11R1.135 COCN1CCNC(=O)CC1 2230a_100000698595_100000766300 [0,1,0,1,0,0|2,0,0]=4 15261 B11R1.135 COCN1CCNC(=O)CC1 269982a_100000698595_100000766300 [0,1,0,1,0,0|2,0,0]=4 15262 B11R1.135 CSCN1CCNC(=O)CC1 2230a_100000698595_100011218213 [0,1,0,1,0,0|2,0,0]=4 15263 B11R1.135 CSCN1CCNC(=O)CC1 269982a_100000698595_100011218213 [0,1,0,1,0,0|2,0,0]=4 15264 B11R1.135 O=C1CCN(CCN1)CCF 2230a_100000698595_100011217306 [0,1,0,1,0,0|2,0,0]=4 15265 B11R1.135 O=C1CCN(CCN1)CCF 269982a_100000698595_100011217306 [0,1,0,1,0,0|2,0,0]=4 15266 B11R1.135 O=C1CCN(CCN1)CCO 2230a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 15267 B11R1.135 O=C1CCN(CCN1)CCO 269982a_100000698595_100000211926 [0,1,0,1,0,0|2,0,0]=4 15268 B11R1.180 C#CCCNC1CCOC1=O 34a_100000755551_100000211211 [0,1,0,1,0,0|0,0,2]=4 15269 B11R1.180 C#CCCOC1CCOC1=O 34a_100011215631_100000211211 [0,1,0,1,0,0|0,0,2]=4 15270 B11R1.180 C#CCCSC1CCOC1=O 62a_100000211211_100000688953 [0,1,0,1,0,0|0,0,2]=4 15271 B11R1.180 C#CCCSC1CCOC1=O 62a_100000688953_100000211211 [0,1,0,1,0,0|0,0,2]=4 15272 B11R1.180 C/C=C/COC1CCOC1=O 34a_100016270725_100000211211 [0,1,0,1,0,0|0,0,2]=4 15273 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100000211211_100102629194 [0,1,0,1,0,0|0,0,2]=4 15274 B11R1.180 C/C=C/CSC1CCOC1=O 62a_100102629194_100000211211 [0,1,0,1,0,0|0,0,2]=4 15275 B11R1.180 C=CCCNC1CCOC1=O 2230a_100015191253_100000211211 [0,1,0,1,0,0|0,0,2]=4 15276 B11R1.180 C=CCCOC1CCOC1=O 34a_100011205117_100000211211 [0,1,0,1,0,0|0,0,2]=4 15277 B11R1.180 C=CCCSC1CCOC1=O 62a_100000211211_100000754431 [0,1,0,1,0,0|0,0,2]=4 15278 B11R1.180 C=CCCSC1CCOC1=O 62a_100000754431_100000211211 [0,1,0,1,0,0|0,0,2]=4 15279 B11R1.180 CC#CCNC1CCOC1=O 2230a_100000685387_100000211211 [0,1,0,1,0,0|0,0,2]=4 15280 B11R1.180 CC#CCNC1CCOC1=O 34a_100000685387_100000211211 [0,1,0,1,0,0|0,0,2]=4 15281 B11R1.180 CC#CCOC1CCOC1=O 34a_100000761923_100000211211 [0,1,0,1,0,0|0,0,2]=4 15282 B11R1.180 CC#CCSC1CCOC1=O 62a_100000211211_100000748600 [0,1,0,1,0,0|0,0,2]=4 15283 B11R1.180 CC#CCSC1CCOC1=O 62a_100000748600_100000211211 [0,1,0,1,0,0|0,0,2]=4 15284 B11R1.180 CC=CCSC1CCOC1=O 62a_100000070051_100000211211 [0,1,0,1,0,0|0,0,2]=4 15285 B11R1.180 CC=CCSC1CCOC1=O 62a_100000211211_100000070051 [0,1,0,1,0,0|0,0,2]=4 15286 B11R1.180 CCCCNC1CCCC1=O 2230a_100000102301_100000211823 [0,1,0,1,0,0|1,0,0]=3 15287 B11R1.180 CCCCNC1CCCC1=O 7a_106832991798_100000211823 [0,1,0,1,0,0|1,0,0]=3 15288 B11R1.180 CCCCNC1CCNC1=O 2230a_100016995588_100000210211 [0,1,0,1,0,0|1,0,0]=3 15289 B11R1.180 CCCCNC1CCNC1=O 34a_100016995588_100000210210 [0,1,0,1,0,0|1,0,0]=3 15290 B11R1.180 CCCCNC1CCOC1=O 2230a_100000102301_100000211211 [0,1,0,1,0,0|0,0,0]=2 15291 B11R1.180 CCCCNC1CCOC1=O 7a_106832991798_100000211211 [0,1,0,1,0,0|0,0,0]=2 15292 B11R1.180 CCCCNC1CCOC1C 270004a_100000102301_100000691750 [0,1,0,1,0,0|1,0,1]=4 15293 B11R1.180 CCCCN[C@@H]1CONC1=O 2230a_100000765999_100000210211 [0,1,0,1,0,0|2,0,0]=4 15294 B11R1.180 CCCCN[C@@H]1CONC1=O 34a_100000765999_100000210210 [0,1,0,1,0,0|2,0,0]=4 15295 B11R1.180 CCCCOC1CCCC1=O 34a_100000210227_100000709159 [0,1,0,1,0,0|1,0,0]=3 15296 B11R1.180 CCCCOC1CCCC1=O 34a_200000719330_100000210210 [0,1,0,1,0,0|1,0,0]=3 15297 B11R1.180 CCCCOC1CCCC1=O 7a_100000210227_100000211823 [0,1,0,1,0,0|1,0,0]=3 15298 B11R1.180 CCCCOC1CCOC1=O 34a_100000210227_100000211211 [0,1,0,1,0,0|0,0,0]=2 15299 B11R1.180 CCCCOC1CCOC1=O 7a_100000210227_100000211211 [0,1,0,1,0,0|0,0,0]=2 15300 B11R1.180 CCCCO[C@H]1CCNC1=O 34a_100000688343_100000210210 [0,1,0,1,0,0|1,0,0]=3 15301 B11R1.180 CCCCSC1CCCC1=O 62a_100000210211_100000211823 [0,1,0,1,0,0|1,0,0]=3 15302 B11R1.180 CCCCSC1CCCC1=O 62a_100000211823_100000210210 [0,1,0,1,0,0|1,0,0]=3 15303 B11R1.180 CCCCSC1CCOC1=O 62a_100000210211_100000211211 [0,1,0,1,0,0|0,0,0]=2 15304 B11R1.180 CCCCSC1CCOC1=O 62a_100000211211_100000210210 [0,1,0,1,0,0|0,0,0]=2 15305 B11R1.180 CCCOCC1=CCCC1=O 34a_100000087531_100000210303 [0,1,0,1,0,0|2,0,0]=4 15306 B11R1.180 CCCOCC1CCNC1=O 34a_100000133458_100000210303 [0,1,0,1,0,0|1,0,0]=3 15307 B11R1.180 CCCSCN1CCCC1=O 62a_100000026320_100000210303 [0,1,0,1,0,0|2,0,0]=4 15308 B11R1.180 CCCSCN1CCCC1=O 62a_100000210303_100000026320 [0,1,0,1,0,0|2,0,0]=4 15309 B11R1.180 CCNCCN1CCCC1=O 2230a_100011200922_100000210202 [0,1,0,1,0,0|2,0,0]=4 15310 B11R1.180 CCNCCN1CCCC1=O 2230a_100015525214_100000739059 [0,1,0,1,0,0|2,0,0]=4 15311 B11R1.180 CCNCCN1CCNC1=O 2230a_100011207550_100000210202 [0,1,0,1,0,0|2,0,0]=4 15312 B11R1.180 CCNCCN1CCNC1=O 2230a_100015525214_100000090651 [0,1,0,1,0,0|2,0,0]=4 15313 B11R1.180 CCOCCN1CCCC1=O 34a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 15314 B11R1.180 CCOCCN1CCCC1=O 34a_100121572206_100000739059 [0,1,0,1,0,0|2,0,0]=4 15315 B11R1.180 CCOCCN1CCCC1=O 7a_100000211209_100000210202 [0,1,0,1,0,0|2,0,0]=4 15316 B11R1.180 CCOCCN1CCNC1=O 34a_100000216532_100000210202 [0,1,0,1,0,0|2,0,0]=4 15317 B11R1.180 CCOCSC1CCCC1=O 62a_100000211823_100000739092 [0,1,0,1,0,0|2,0,0]=4 15318 B11R1.180 CCOCSC1CCCC1=O 62a_100000739092_100000211823 [0,1,0,1,0,0|2,0,0]=4 15319 B11R1.180 CCOCSC1CCOC1=O 62a_100000211211_100000739092 [0,1,0,1,0,0|1,0,0]=3 15320 B11R1.180 CCOCSC1CCOC1=O 62a_100000739092_100000211211 [0,1,0,1,0,0|1,0,0]=3 15321 B11R1.180 CCSCCN1CCCC1=O 62a_100000210202_100000739059 [0,1,0,1,0,0|2,0,0]=4 15322 B11R1.180 CCSCCN1CCCC1=O 62a_100000739059_100000210202 [0,1,0,1,0,0|2,0,0]=4 15323 B11R1.180 CCSCCN1CCNC1=O 62a_100000090651_100000210202 [0,1,0,1,0,0|2,0,0]=4 15324 B11R1.180 CCSCCN1CCNC1=O 62a_100000210202_100000090651 [0,1,0,1,0,0|2,0,0]=4 15325 B11R1.180 CNCCCN1CCCC1=O 2230a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 15326 B11R1.180 CNCCCN1CCCC1=O 34a_100000210347_200000210301 [0,1,0,1,0,0|2,0,0]=4 15327 B11R1.180 COCCCN1CCCC1=O 34a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 15328 B11R1.180 COCCCN1CCCC1=O 7a_100011216539_200000210301 [0,1,0,1,0,0|2,0,0]=4 15329 B11R1.180 COCCNC1CCCC1=O 2230a_100000209980_100000211823 [0,1,0,1,0,0|2,0,0]=4 15330 B11R1.180 COCCNC1CCNC1=O 2230a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 15331 B11R1.180 COCCNC1CCNC1=O 34a_100016995588_100011201679 [0,1,0,1,0,0|2,0,0]=4 15332 B11R1.180 COCCNC1CCOC1=O 2230a_100000209980_100000211211 [0,1,0,1,0,0|1,0,0]=3 15333 B11R1.180 COCCOC1CCCC1=O 34a_100000210237_100000709159 [0,1,0,1,0,0|2,0,0]=4 15334 B11R1.180 COCCOC1CCCC1=O 34a_200000719330_100011201679 [0,1,0,1,0,0|2,0,0]=4 15335 B11R1.180 COCCOC1CCOC1=O 34a_100000210237_100000211211 [0,1,0,1,0,0|1,0,0]=3 15336 B11R1.180 COCCO[C@H]1CCNC1=O 34a_100000688343_100011201679 [0,1,0,1,0,0|2,0,0]=4 15337 B11R1.180 COCCSC1CCCC1=O 62a_100000211823_100000233755 [0,1,0,1,0,0|2,0,0]=4 15338 B11R1.180 COCCSC1CCCC1=O 62a_100000233755_100000211823 [0,1,0,1,0,0|2,0,0]=4 15339 B11R1.180 COCCSC1CCOC1=O 62a_100000211211_100000233755 [0,1,0,1,0,0|1,0,0]=3 15340 B11R1.180 COCCSC1CCOC1=O 62a_100000233755_100000211211 [0,1,0,1,0,0|1,0,0]=3 15341 B11R1.180 CSCCNC1CCCC1=O 2230a_100020590264_100000211823 [0,1,0,1,0,0|2,0,0]=4 15342 B11R1.180 CSCCNC1CCNC1=O 2230a_100016995588_100000751147 [0,1,0,1,0,0|2,0,0]=4 15343 B11R1.180 CSCCNC1CCNC1=O 34a_100016995588_100000212216 [0,1,0,1,0,0|2,0,0]=4 15344 B11R1.180 CSCCNC1CCOC1=O 2230a_100020590264_100000211211 [0,1,0,1,0,0|1,0,0]=3 15345 B11R1.180 CSCCOC1CCCC1=O 34a_100000230434_100000709159 [0,1,0,1,0,0|2,0,0]=4 15346 B11R1.180 CSCCOC1CCCC1=O 34a_200000719330_100000212216 [0,1,0,1,0,0|2,0,0]=4 15347 B11R1.180 CSCCOC1CCCC1=O 7a_100000230434_100000211823 [0,1,0,1,0,0|2,0,0]=4 15348 B11R1.180 CSCCOC1CCOC1=O 34a_100000230434_100000211211 [0,1,0,1,0,0|1,0,0]=3 15349 B11R1.180 CSCCOC1CCOC1=O 7a_100000230434_100000211211 [0,1,0,1,0,0|1,0,0]=3 15350 B11R1.180 CSCCO[C@H]1CCNC1=O 34a_100000688343_100000212216 [0,1,0,1,0,0|2,0,0]=4 15351 B11R1.180 CSCCSC1CCCC1=O 62a_100000211823_100000751147 [0,1,0,1,0,0|2,0,0]=4 15352 B11R1.180 CSCCSC1CCCC1=O 62a_100000212216_100000211823 [0,1,0,1,0,0|2,0,0]=4 15353 B11R1.180 CSCCSC1CCOC1=O 62a_100000211211_100000751147 [0,1,0,1,0,0|1,0,0]=3 15354 B11R1.180 CSCCSC1CCOC1=O 62a_100000212216_100000211211 [0,1,0,1,0,0|1,0,0]=3 15355 B11R1.180 CSCOCC1CCNC1=O 34a_100000133458_100011218213 [0,1,0,1,0,0|2,0,0]=4 15356 B11R1.180 N#CCCSC1CCOC1=O 62a_100000211211_100011215226 [0,1,0,1,0,0|1,0,1]=4 15357 B11R1.180 N#CCCSC1CCOC1=O 62a_100011215226_100000211211 [0,1,0,1,0,0|1,0,1]=4 15358 B11R1.180 NCCCOC1CCCC1=O 34a_100000182051_100000709159 [0,1,0,1,0,0|2,0,0]=4 15359 B11R1.180 NCCCOC1CCOC1=O 34a_100000182051_100000211211 [0,1,0,1,0,0|1,0,0]=3 15360 B11R1.180 NOCCOC1CCOC1=O 34a_100000700252_100000211211 [0,1,0,1,0,0|2,0,0]=4 15361 B11R1.180 O=C1CCCC1NCCCF 2230a_100015189416_100000211823 [0,1,0,1,0,0|2,0,0]=4 15362 B11R1.180 O=C1CCCC1NCCCF 34a_100015189416_100000709159 [0,1,0,1,0,0|2,0,0]=4 15363 B11R1.180 O=C1CCCC1OCCCBr 34a_100011217188_100000709159 [0,1,0,1,0,0|2,0,0]=4 15364 B11R1.180 O=C1CCCC1OCCCCl 34a_100000230001_100000709159 [0,1,0,1,0,0|2,0,0]=4 15365 B11R1.180 O=C1CCCC1OCCCF 34a_100000759539_100000709159 [0,1,0,1,0,0|2,0,0]=4 15366 B11R1.180 O=C1CCCC1OCCCF 34a_200000719330_100011934791 [0,1,0,1,0,0|2,0,0]=4 15367 B11R1.180 O=C1CCCC1OCCCO 34a_200000719330_100000230001 [0,1,0,1,0,0|2,0,0]=4 15368 B11R1.180 O=C1CCCC1SCCCF 62a_100000211823_100011934791 [0,1,0,1,0,0|2,0,0]=4 15369 B11R1.180 O=C1CCCC1SCCCF 62a_100011934791_100000211823 [0,1,0,1,0,0|2,0,0]=4 15370 B11R1.180 O=C1CCCC1SCCCO 62a_100000211823_100011215043 [0,1,0,1,0,0|2,0,0]=4 15371 B11R1.180 O=C1CCCC1SCCCO 62a_100011215043_100000211823 [0,1,0,1,0,0|2,0,0]=4 15372 B11R1.180 O=C1NCCC1COCCF 34a_100000133458_100011217306 [0,1,0,1,0,0|2,0,0]=4 15373 B11R1.180 O=C1NCCC1COCCO 34a_100000133458_100000211926 [0,1,0,1,0,0|2,0,0]=4 15374 B11R1.180 O=C1NCCC1NCCCF 2230a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 15375 B11R1.180 O=C1NCCC1NCCCF 34a_100016995588_100011934791 [0,1,0,1,0,0|2,0,0]=4 15376 B11R1.180 O=C1NCCC1NCCCO 2230a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 15377 B11R1.180 O=C1NCCC1NCCCO 34a_100016995588_100000230001 [0,1,0,1,0,0|2,0,0]=4 15378 B11R1.180 O=C1NCC[C@@H]1OCCCF 34a_100000688343_100011934791 [0,1,0,1,0,0|2,0,0]=4 15379 B11R1.180 O=C1NCC[C@@H]1OCCCO 34a_100000688343_100000230001 [0,1,0,1,0,0|2,0,0]=4 15380 B11R1.180 O=C1OCCC1NCCCF 2230a_100015189416_100000211211 [0,1,0,1,0,0|1,0,0]=3 15381 B11R1.180 O=C1OCCC1NCCCF 34a_100015189416_100000211211 [0,1,0,1,0,0|1,0,0]=3 15382 B11R1.180 O=C1OCCC1OCCCBr 34a_100011217188_100000211211 [0,1,0,1,0,0|1,0,0]=3 15383 B11R1.180 O=C1OCCC1OCCCCl 34a_100000230001_100000211211 [0,1,0,1,0,0|1,0,0]=3 15384 B11R1.180 O=C1OCCC1OCCCF 34a_100000759539_100000211211 [0,1,0,1,0,0|1,0,0]=3 15385 B11R1.180 O=C1OCCC1SCCCF 62a_100000211211_100011934791 [0,1,0,1,0,0|1,0,0]=3 15386 B11R1.180 O=C1OCCC1SCCCF 62a_100011934791_100000211211 [0,1,0,1,0,0|1,0,0]=3 15387 B11R1.180 O=C1OCCC1SCCCO 62a_100000211211_100011215043 [0,1,0,1,0,0|1,0,0]=3 15388 B11R1.180 O=C1OCCC1SCCCO 62a_100011215043_100000211211 [0,1,0,1,0,0|1,0,0]=3 15389 B11R1.180 [13CH3]NCCCN1CCCC1=O 2230a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 15390 B11R1.180 [13CH3]NCCCN1CCCC1=O 34a_100000210347_200025704644 [0,1,0,1,0,0|2,0,0]=4 15391 B11R1.180 [13CH3]OCCCN1CCCC1=O 34a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 15392 B11R1.180 [13CH3]OCCCN1CCCC1=O 7a_100011216539_200025704644 [0,1,0,1,0,0|2,0,0]=4 15393 B11R1.189 CCOC1CCCC(C1)CC 7a_100011985506_100000210202 [0,1,0,1,0,0|1,0,1]=4 15394 B11R1.189 CCOC1CCCC(C1)CN 34a_100011254705_100000210202 [0,1,0,1,0,0|1,0,1]=4 15395 B11R1.189 CCOC1CCCN(C1)CC 2230a_100000745229_100000210202 [0,1,0,1,0,0|1,0,1]=4 15396 B11R1.189 CCOC1CCCN(C1)CC 269982a_100000745229_100000204670 [0,1,0,1,0,0|1,0,1]=4 15397 B11R1.189 CCOC1CCCN(C1)CC 34a_100000745229_100000210202 [0,1,0,1,0,0|1,0,1]=4 15398 B11R1.199 CC1CCCC1C(=O)CCF 1458a_100000690547_100011217306 [0,1,0,1,0,0|2,0,0]=4 15399 B11R1.199 CC1CCCC1C(=O)CCO 1458a_100000690547_100000211926 [0,1,0,1,0,0|2,0,0]=4 15400 B11R1.199 CC=CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210699 [0,1,0,1,0,0|1,0,1]=4 15401 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 11a_100015189458_100000210699 [0,1,0,1,0,0|1,0,1]=4 15402 B11R1.199 CC=CC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210699 [0,1,0,1,0,0|1,0,1]=4 15403 B11R1.199 CCCC(=O)C1CCCC1=O 1458a_100000211992_100000211823 [0,1,0,1,0,0|1,0,1]=4 15404 B11R1.199 CCCC(=O)C1CCCC1C 1458a_100000690547_100000210303 [0,1,0,1,0,0|1,0,0]=3 15405 B11R1.199 CCCC(=O)C1CCOC1=O 1458a_100000211992_100000211211 [0,1,0,1,0,0|0,0,1]=3 15406 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000211992 [0,1,0,1,0,0|1,0,0]=3 15407 B11R1.199 CCCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000211992 [0,1,0,1,0,0|1,0,0]=3 15408 B11R1.199 CCCC(=O)N1CCC[C@H]1C 11a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 15409 B11R1.199 CCCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 15410 B11R1.199 CCCC(=O)N1CCC[C@H]1C 527a_100015189458_100000211992 [0,1,0,1,0,0|1,0,0]=3 15411 B11R1.199 CCCC(=O)N1CCSC1C 11a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 15412 B11R1.199 CCCC(=O)N1CCSC1C 1626a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 15413 B11R1.199 CCCC(=O)N1CCSC1C 240690a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 15414 B11R1.199 CCCC(=O)N1CCSC1C 527a_200011216479_100000211992 [0,1,0,1,0,0|2,0,0]=4 15415 B11R1.199 CCCC(=O)[C@@H]1CCCN1C 1458a_100009816429_100000210303 [0,1,0,1,0,0|1,0,0]=3 15416 B11R1.199 CCCN(C)C1CCCC1=O 2230a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 15417 B11R1.199 CCCN(C)C1CCCC1=O 269982a_100000747261_100000211823 [0,1,0,1,0,0|2,0,0]=4 15418 B11R1.199 CCCN(C)C1CCOC1=O 2230a_100000747261_100000211211 [0,1,0,1,0,0|1,0,0]=3 15419 B11R1.199 CCCN(C)C1CCOC1=O 269982a_100000747261_100000211211 [0,1,0,1,0,0|1,0,0]=3 15420 B11R1.199 CCNC(=O)C1CCCC1C 11a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 15421 B11R1.199 CCNC(=O)C1CCCC1C 240690a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 15422 B11R1.199 CCNC(=O)C1CCCC1C 527a_100015525214_100000690547 [0,1,0,1,0,0|1,0,0]=3 15423 B11R1.199 CCNC(=O)C1CSCN1C 240690a_100015525214_100020666735 [0,1,0,1,0,0|2,0,0]=4 15424 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 2708a_100015525214_100020605311 [0,1,0,1,0,0|1,0,0]=3 15425 B11R1.199 CCNC(=O)N1CCC[C@@H]1C 273464a_100015525214_100020605311 [0,1,0,1,0,0|1,0,0]=3 15426 B11R1.199 CCNC(=O)N1CCC[C@H]1C 2708a_100015525214_100015189458 [0,1,0,1,0,0|1,0,0]=3 15427 B11R1.199 CCNC(=O)N1CCC[C@H]1C 273464a_100015525214_100015189458 [0,1,0,1,0,0|1,0,0]=3 15428 B11R1.199 CCNC(=O)N1CCSC1C 2708a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 15429 B11R1.199 CCNC(=O)N1CCSC1C 273464a_100015525214_200011216479 [0,1,0,1,0,0|2,0,0]=4 15430 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 11a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 15431 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 2230a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 15432 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 240690a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 15433 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 269982a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 15434 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 34a_100020641767_200000210301 [0,1,0,1,0,0|1,0,0]=3 15435 B11R1.199 CCNC(=O)[C@@H]1CCCN1C 527a_100015525214_100009816429 [0,1,0,1,0,0|1,0,0]=3 15436 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 2230a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 15437 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 269982a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 15438 B11R1.199 CCNC(=O)[C@@H]1CCCN1[13CH3] 34a_100020641767_200025704644 [0,1,0,1,0,0|1,0,0]=3 15439 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 2230a_100000703725_200000210301 [0,1,0,1,0,0|0,0,0]=2 15440 B11R1.199 CCOC(=O)[C@@H]1CCCN1C 269982a_100000703725_200000210301 [0,1,0,1,0,0|0,0,0]=2 15441 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 2230a_100000703725_200025704644 [0,1,0,1,0,0|0,0,0]=2 15442 B11R1.199 CCOC(=O)[C@@H]1CCCN1[13CH3] 269982a_100000703725_200025704644 [0,1,0,1,0,0|0,0,0]=2 15443 B11R1.199 CCOC(=O)[C@@H]1CSCN1C 269982a_100016989239_200000210301 [0,1,0,1,0,0|1,0,0]=3 15444 B11R1.199 CCOC(=O)[C@@H]1CSCN1[13CH3] 269982a_100016989239_200025704644 [0,1,0,1,0,0|1,0,0]=3 15445 B11R1.199 CCO[C@@H](C)[C@@H]1CCCN1C 34a_100160487421_100000210202 [0,1,0,1,0,0|1,0,1]=4 15446 B11R1.199 CN(CCO)C1CCOC1=O 2230a_100000210263_100000211211 [0,1,0,1,0,0|2,0,0]=4 15447 B11R1.199 CN(CCO)C1CCOC1=O 269982a_100000210263_100000211211 [0,1,0,1,0,0|2,0,0]=4 15448 B11R1.199 CN1CCC[C@H]1C(=O)CCF 1458a_100009816429_100011217306 [0,1,0,1,0,0|2,0,0]=4 15449 B11R1.199 CN1CCC[C@H]1C(=O)CCO 1458a_100009816429_100000211926 [0,1,0,1,0,0|2,0,0]=4 15450 B11R1.199 CNNC(=O)C1CCCC1C 22a_100016993582_100000690547 [0,1,0,1,0,0|2,0,0]=4 15451 B11R1.199 CNNC(=O)[C@@H]1CCCN1C 22a_100016993582_100009816429 [0,1,0,1,0,0|2,0,0]=4 15452 B11R1.199 COCC(=O)C1CCOC1=O 1458a_100000210968_100000211211 [0,1,0,1,0,0|1,0,1]=4 15453 B11R1.199 COCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000210968 [0,1,0,1,0,0|2,0,0]=4 15454 B11R1.199 COCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000210968 [0,1,0,1,0,0|2,0,0]=4 15455 B11R1.199 COCC(=O)N1CCC[C@H]1C 11a_100015189458_100000210968 [0,1,0,1,0,0|2,0,0]=4 15456 B11R1.199 COCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000210968 [0,1,0,1,0,0|2,0,0]=4 15457 B11R1.199 COCC(=O)N1CCC[C@H]1C 527a_100015189458_100000210968 [0,1,0,1,0,0|2,0,0]=4 15458 B11R1.199 CSCC(=O)C1CCOC1=O 1458a_100000184570_100000211211 [0,1,0,1,0,0|1,0,1]=4 15459 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 240690a_100020605311_100000184570 [0,1,0,1,0,0|2,0,0]=4 15460 B11R1.199 CSCC(=O)N1CCC[C@@H]1C 527a_100020605311_100000184570 [0,1,0,1,0,0|2,0,0]=4 15461 B11R1.199 CSCC(=O)N1CCC[C@H]1C 11a_100015189458_100000184570 [0,1,0,1,0,0|2,0,0]=4 15462 B11R1.199 CSCC(=O)N1CCC[C@H]1C 240690a_100015189458_100000184570 [0,1,0,1,0,0|2,0,0]=4 15463 B11R1.199 CSCC(=O)N1CCC[C@H]1C 527a_100015189458_100000184570 [0,1,0,1,0,0|2,0,0]=4 15464 B11R1.199 C[C@@H]1CCCN1C(=O)CCO 240690a_100015189458_100011216618 [0,1,0,1,0,0|2,0,0]=4 15465 B11R1.199 C[C@H]1CCCN1C(=O)CCO 240690a_100020605311_100011216618 [0,1,0,1,0,0|2,0,0]=4 15466 B11R1.199 O=C(CCO)C1CCOC1=O 1458a_100011216618_100000211211 [0,1,0,1,0,0|1,0,1]=4 15467 B11R1.210 CCCCN1CC(C1)OCC 269982a_100000732654_100000210211 [0,1,0,1,0,0|1,0,1]=4 15468 B11R1.210 CCCCN1CC(C1)OCC 34a_100000732654_100000210210 [0,1,0,1,0,0|1,0,1]=4 15469 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,1,0,1,0,0|2,0,0]=4 15470 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,1,0,1,0,0|2,0,0]=4 15471 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,1,0,1,0,0|2,0,0]=4 15472 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,1,0,1,0,0|2,0,0]=4 15473 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,1,0,1,0,0|2,0,0]=4 15474 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,1,0,1,0,0|2,0,0]=4 15475 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,1,0,1,0,0|2,0,0]=4 15476 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,1,0,1,0,0|2,0,0]=4 15477 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,1,0,1,0,0|2,0,0]=4 15478 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|1,0,0]=3 15479 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|1,0,0]=3 15480 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|1,0,0]=3 15481 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,1,0,1,0,0|2,0,0]=4 15482 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,1,0,1,0,0|2,0,0]=4 15483 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,1,0,1,0,0|2,0,0]=4 15484 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,1,0,1,0,0|2,0,0]=4 15485 B11R1.265 CCC1C(=O)NCCN1CC 2230a_100000187962_100000210202 [0,1,0,1,0,0|2,0,0]=4 15486 B11R1.265 CCC1C(=O)NCCN1CC 269982a_100000187962_100000204670 [0,1,0,1,0,0|2,0,0]=4 15487 B11R1.265 CCC1C(=O)NCCN1CC 34a_100000187962_100000210202 [0,1,0,1,0,0|2,0,0]=4 15488 B11R1.288 CCCC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000747444 [0,1,0,1,0,0|2,0,0]=4 15489 B11R1.288 CCCC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000747444 [0,1,0,1,0,0|2,0,0]=4 15490 B11R1.288 CCNC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000183381 [0,1,0,1,0,0|2,0,0]=4 15491 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000183381 [0,1,0,1,0,0|2,0,0]=4 15492 B11R1.288 CCNC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000183381 [0,1,0,1,0,0|2,0,0]=4 15493 B11R1.288 CCOC(=O)CN[C@@H]1C[C@@H]1F 2230a_100015190264_100000188475 [0,1,0,1,0,0|1,0,0]=3 15494 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 2230a_100025746932_100000188475 [0,1,0,1,0,0|1,0,0]=3 15495 B11R1.288 CCOC(=O)CN[C@@H]1C[C@H]1F 34a_100025746932_100000188475 [0,1,0,1,0,0|1,0,0]=3 15496 B11R1.289 C=COC(=O)CNC1CCC1 2230a_100000749019_100000036128 [0,1,0,1,0,0|0,0,2]=4 15497 B11R1.289 C=COC(=O)CNC1CCC1 34a_100000749019_100000036128 [0,1,0,1,0,0|0,0,2]=4 15498 B11R1.289 C=COC(=O)COC1CCC1 34a_100000748187_100000036128 [0,1,0,1,0,0|0,0,2]=4 15499 B11R1.289 C=COC(=O)CSC1CCC1 62a_100000036128_100000749161 [0,1,0,1,0,0|0,0,2]=4 15500 B11R1.289 CC=CC(=O)NCC1CCC1 11a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 15501 B11R1.289 CC=CC(=O)NCC1CCC1 1626a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 15502 B11R1.289 CC=CC(=O)NCC1CCC1 240690a_100000738700_100000210699 [0,1,0,1,0,0|1,0,1]=4 15503 B11R1.289 CCCC(=O)CNC1CCC1 2230a_100000749019_100000747444 [0,1,0,1,0,0|1,0,0]=3 15504 B11R1.289 CCCC(=O)CNC1COC1 2230a_100016991112_100000747444 [0,1,0,1,0,0|2,0,0]=4 15505 B11R1.289 CCCC(=O)COC1CSC1 7a_100000072292_100000747444 [0,1,0,1,0,0|2,0,0]=4 15506 B11R1.289 CCCC(=O)CSC1CCC1 62a_100000747444_100000749161 [0,1,0,1,0,0|1,0,0]=3 15507 B11R1.289 CCCC(=O)CSC1COC1 62a_100000747444_100009818527 [0,1,0,1,0,0|2,0,0]=4 15508 B11R1.289 CCCC(=O)NCC1CCC1 11a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 15509 B11R1.289 CCCC(=O)NCC1CCC1 1626a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 15510 B11R1.289 CCCC(=O)NCC1CCC1 240690a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 15511 B11R1.289 CCCC(=O)NCC1CCC1 527a_100000738700_100000211992 [0,1,0,1,0,0|1,0,0]=3 15512 B11R1.289 CCCC(=O)NCC1COC1 11a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 15513 B11R1.289 CCCC(=O)NCC1COC1 1626a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 15514 B11R1.289 CCCC(=O)NCC1COC1 240690a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 15515 B11R1.289 CCCC(=O)NCC1COC1 527a_100015281925_100000211992 [0,1,0,1,0,0|2,0,0]=4 15516 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 11a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 15517 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 1626a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 15518 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 240690a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 15519 B11R1.289 CCCC(=O)NC[C@@H]1CCO1 527a_100020831831_100000211992 [0,1,0,1,0,0|2,0,0]=4 15520 B11R1.289 CCCC(=O)NNC1CCC1 22a_100000736358_100000211992 [0,1,0,1,0,0|2,0,0]=4 15521 B11R1.289 CCCC(=O)OCN1CCC1 269982a_100000754969_100000034017 [0,1,0,1,0,0|2,0,0]=4 15522 B11R1.289 CCNC(=O)CCN1CCC1 269982a_100000754969_100000737597 [0,1,0,1,0,0|1,0,0]=3 15523 B11R1.289 CCNC(=O)CNC1CCC1 2230a_100000749019_100000183381 [0,1,0,1,0,0|1,0,0]=3 15524 B11R1.289 CCNC(=O)CNC1CCC1 270004a_100016988866_100000241760 [0,1,0,1,0,0|1,0,0]=3 15525 B11R1.289 CCNC(=O)CNC1CCC1 34a_100000749019_100000183381 [0,1,0,1,0,0|1,0,0]=3 15526 B11R1.289 CCNC(=O)CNC1COC1 2230a_100016991112_100000183381 [0,1,0,1,0,0|2,0,0]=4 15527 B11R1.289 CCNC(=O)COC1CCC1 34a_100000748187_100000183381 [0,1,0,1,0,0|1,0,0]=3 15528 B11R1.289 CCNC(=O)COC1CSC1 7a_100000072292_100000183381 [0,1,0,1,0,0|2,0,0]=4 15529 B11R1.289 CCNC(=O)CSC1CCC1 62a_100000183381_100000749161 [0,1,0,1,0,0|1,0,0]=3 15530 B11R1.289 CCNC(=O)CSC1COC1 62a_100000183381_100009818527 [0,1,0,1,0,0|2,0,0]=4 15531 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 15532 B11R1.289 CCNC(=O)NCC1CCC1 2708a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 15533 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 15534 B11R1.289 CCNC(=O)NCC1CCC1 273464a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 15535 B11R1.289 CCNC(=O)NCC1CCC1 512a_100000738700_100015525214 [0,1,0,1,0,0|1,0,0]=3 15536 B11R1.289 CCNC(=O)NCC1CCC1 512a_100015525214_100000738700 [0,1,0,1,0,0|1,0,0]=3 15537 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 15538 B11R1.289 CCNC(=O)NCC1COC1 2708a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 15539 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 15540 B11R1.289 CCNC(=O)NCC1COC1 273464a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 15541 B11R1.289 CCNC(=O)NCC1COC1 512a_100015281925_100015525214 [0,1,0,1,0,0|2,0,0]=4 15542 B11R1.289 CCNC(=O)NCC1COC1 512a_100015525214_100015281925 [0,1,0,1,0,0|2,0,0]=4 15543 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 15544 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 2708a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 15545 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 15546 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 273464a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 15547 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100015525214_100020831831 [0,1,0,1,0,0|2,0,0]=4 15548 B11R1.289 CCNC(=O)NC[C@@H]1CCO1 512a_100020831831_100015525214 [0,1,0,1,0,0|2,0,0]=4 15549 B11R1.289 CCNC(=O)NNC1CCC1 273464a_100015525214_100000736358 [0,1,0,1,0,0|2,0,0]=4 15550 B11R1.289 CCNC(=O)NNC1CCC1 512a_100000736358_100015525214 [0,1,0,1,0,0|2,0,0]=4 15551 B11R1.289 CCNC(=O)NNC1CCC1 512a_100015525214_100000736358 [0,1,0,1,0,0|2,0,0]=4 15552 B11R1.289 CCOC(=O)CCN1CCC1 269982a_100000754969_100011206558 [0,1,0,1,0,0|0,0,0]=2 15553 B11R1.289 CCOC(=O)CNC1CCC1 2230a_100000749019_100000188475 [0,1,0,1,0,0|0,0,0]=2 15554 B11R1.289 CCOC(=O)CNC1CCC1 34a_100000749019_100000188475 [0,1,0,1,0,0|0,0,0]=2 15555 B11R1.289 CCOC(=O)CNC1COC1 2230a_100016991112_100000188475 [0,1,0,1,0,0|1,0,0]=3 15556 B11R1.289 CCOC(=O)COC1CCC1 34a_100000748187_100000188475 [0,1,0,1,0,0|0,0,0]=2 15557 B11R1.289 CCOC(=O)COC1CSC1 7a_100000072292_100000188475 [0,1,0,1,0,0|1,0,0]=3 15558 B11R1.289 CCOC(=O)CSC1CCC1 62a_100000188475_100000749161 [0,1,0,1,0,0|0,0,0]=2 15559 B11R1.289 CCOC(=O)CSC1COC1 62a_100000188475_100009818527 [0,1,0,1,0,0|1,0,0]=3 15560 B11R1.289 CNNC(=O)NCC1CCC1 273464a_100000738700_100016993582 [0,1,0,1,0,0|2,0,0]=4 15561 B11R1.289 CNNC(=O)NCC1CCC1 512a_100000738700_100016993582 [0,1,0,1,0,0|2,0,0]=4 15562 B11R1.289 CNNC(=O)NCC1CCC1 512a_100016993582_100000738700 [0,1,0,1,0,0|2,0,0]=4 15563 B11R1.289 COCC(=O)NCC1CCC1 11a_100000738700_100000210968 [0,1,0,1,0,0|2,0,0]=4 15564 B11R1.289 COCC(=O)NCC1CCC1 1626a_100000738700_100000210968 [0,1,0,1,0,0|2,0,0]=4 15565 B11R1.289 COCC(=O)NCC1CCC1 240690a_100000738700_100000210968 [0,1,0,1,0,0|2,0,0]=4 15566 B11R1.289 COCC(=O)NCC1CCC1 527a_100000738700_100000210968 [0,1,0,1,0,0|2,0,0]=4 15567 B11R1.289 CSCC(=O)NCC1CCC1 11a_100000738700_100000184570 [0,1,0,1,0,0|2,0,0]=4 15568 B11R1.289 CSCC(=O)NCC1CCC1 1626a_100000738700_100000184570 [0,1,0,1,0,0|2,0,0]=4 15569 B11R1.289 CSCC(=O)NCC1CCC1 240690a_100000738700_100000184570 [0,1,0,1,0,0|2,0,0]=4 15570 B11R1.289 CSCC(=O)NCC1CCC1 527a_100000738700_100000184570 [0,1,0,1,0,0|2,0,0]=4 15571 B11R1.289 O=C(CCO)NCC1CCC1 240690a_100000738700_100011216618 [0,1,0,1,0,0|2,0,0]=4 15572 B11R1.289 O=C(CNC1CCC1)NCO 2230a_100000749019_100000185155 [0,1,0,1,0,0|2,0,0]=4 15573 B11R1.289 O=C(CNC1CCC1)NCO 34a_100000749019_100000185155 [0,1,0,1,0,0|2,0,0]=4 15574 B11R1.289 O=C(COC1CCC1)NCO 34a_100000748187_100000185155 [0,1,0,1,0,0|2,0,0]=4 15575 B11R1.289 O=C(CSC1CCC1)NCO 62a_100000185155_100000749161 [0,1,0,1,0,0|2,0,0]=4 15576 B11R1.290 C=COC(=O)CNCC1CC1 2230a_100000735609_100000036128 [0,1,0,1,0,0|0,0,2]=4 15577 B11R1.290 C=COC(=O)CNCC1CC1 34a_100000735609_100000036128 [0,1,0,1,0,0|0,0,2]=4 15578 B11R1.290 C=COC(=O)COCC1CC1 34a_100000211283_100000036128 [0,1,0,1,0,0|0,0,2]=4 15579 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000036128_100000742324 [0,1,0,1,0,0|0,0,2]=4 15580 B11R1.290 C=COC(=O)CSCC1CC1 62a_100000756562_100000036128 [0,1,0,1,0,0|0,0,2]=4 15581 B11R1.290 CC#CC(=O)CCCC1CO1 1458a_100000763181_100000733510 [0,1,0,1,0,0|1,0,1]=4 15582 B11R1.290 CC=CC(=O)CCCC1CO1 1458a_100000210699_100000733510 [0,1,0,1,0,0|1,0,1]=4 15583 B11R1.290 CC=CC(=O)NCCC1CC1 1626a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 15584 B11R1.290 CC=CC(=O)NCCC1CC1 240690a_100000764129_100000210699 [0,1,0,1,0,0|1,0,1]=4 15585 B11R1.290 CCCC(=O)CC#CC1CC1 1458a_100000211992_100009895102 [0,1,0,1,0,0|1,0,1]=4 15586 B11R1.290 CCCC(=O)CCCC1CO1 1458a_100000211992_100000733510 [0,1,0,1,0,0|1,0,0]=3 15587 B11R1.290 CCCC(=O)CNCC1CC1 2230a_100000735609_100000747444 [0,1,0,1,0,0|1,0,0]=3 15588 B11R1.290 CCCC(=O)CSCC1CC1 1458a_200011316215_100000210303 [0,1,0,1,0,0|1,0,0]=3 15589 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000747444_100000742324 [0,1,0,1,0,0|1,0,0]=3 15590 B11R1.290 CCCC(=O)CSCC1CC1 62a_100000756562_100000747444 [0,1,0,1,0,0|1,0,0]=3 15591 B11R1.290 CCCC(=O)CSCC1CO1 62a_100000747444_102125554688 [0,1,0,1,0,0|2,0,0]=4 15592 B11R1.290 CCCC(=O)CSCC1CO1 62a_102125554688_100000747444 [0,1,0,1,0,0|2,0,0]=4 15593 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000031435_100000747444 [0,1,0,1,0,0|2,0,0]=4 15594 B11R1.290 CCCC(=O)CSCC1CS1 62a_100000747444_100000031435 [0,1,0,1,0,0|2,0,0]=4 15595 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000745022_100000747444 [0,1,0,1,0,0|2,0,0]=4 15596 B11R1.290 CCCC(=O)CSC[C@@H]1CO1 62a_100000747444_100000745022 [0,1,0,1,0,0|2,0,0]=4 15597 B11R1.290 CCCC(=O)NCCC1CC1 1626a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 15598 B11R1.290 CCCC(=O)NCCC1CC1 240690a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 15599 B11R1.290 CCCC(=O)NCCC1CC1 527a_100000764129_100000211992 [0,1,0,1,0,0|1,0,0]=3 15600 B11R1.290 CCCC(=O)NNCC1CC1 22a_100000736359_100000211992 [0,1,0,1,0,0|2,0,0]=4 15601 B11R1.290 CCCC(=O)OCNC1CC1 34a_100000212008_100000034017 [0,1,0,1,0,0|2,0,0]=4 15602 B11R1.290 CCNC(=O)CCNC1CC1 34a_100025743525_100000211595 [0,1,0,1,0,0|1,0,0]=3 15603 B11R1.290 CCNC(=O)CCSC1CC1 62a_100000737597_100000211595 [0,1,0,1,0,0|1,0,0]=3 15604 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100000735609_100000183381 [0,1,0,1,0,0|1,0,0]=3 15605 B11R1.290 CCNC(=O)CNCC1CC1 2230a_100016988866_100000742324 [0,1,0,1,0,0|1,0,0]=3 15606 B11R1.290 CCNC(=O)CNCC1CC1 34a_100000735609_100000183381 [0,1,0,1,0,0|1,0,0]=3 15607 B11R1.290 CCNC(=O)CNCC1CO1 2230a_100016988866_100011216344 [0,1,0,1,0,0|2,0,0]=4 15608 B11R1.290 CCNC(=O)COCC1CC1 34a_100000211283_100000183381 [0,1,0,1,0,0|1,0,0]=3 15609 B11R1.290 CCNC(=O)COC[C@@H]1CO1 34a_100000757423_100000183381 [0,1,0,1,0,0|2,0,0]=4 15610 B11R1.290 CCNC(=O)CSCC1CC1 11a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 15611 B11R1.290 CCNC(=O)CSCC1CC1 240690a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 15612 B11R1.290 CCNC(=O)CSCC1CC1 527a_100015525214_200011316215 [0,1,0,1,0,0|1,0,0]=3 15613 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000183381_100000742324 [0,1,0,1,0,0|1,0,0]=3 15614 B11R1.290 CCNC(=O)CSCC1CC1 62a_100000756562_100000183381 [0,1,0,1,0,0|1,0,0]=3 15615 B11R1.290 CCNC(=O)CSCC1CO1 62a_100000183381_102125554688 [0,1,0,1,0,0|2,0,0]=4 15616 B11R1.290 CCNC(=O)CSCC1CO1 62a_102125554688_100000183381 [0,1,0,1,0,0|2,0,0]=4 15617 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000031435_100000183381 [0,1,0,1,0,0|2,0,0]=4 15618 B11R1.290 CCNC(=O)CSCC1CS1 62a_100000183381_100000031435 [0,1,0,1,0,0|2,0,0]=4 15619 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000183381_100000745022 [0,1,0,1,0,0|2,0,0]=4 15620 B11R1.290 CCNC(=O)CSC[C@@H]1CO1 62a_100000745022_100000183381 [0,1,0,1,0,0|2,0,0]=4 15621 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 15622 B11R1.290 CCNC(=O)NCCC1CC1 2708a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 15623 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 15624 B11R1.290 CCNC(=O)NCCC1CC1 273464a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 15625 B11R1.290 CCNC(=O)NCCC1CC1 512a_100000764129_100015525214 [0,1,0,1,0,0|1,0,0]=3 15626 B11R1.290 CCNC(=O)NCCC1CC1 512a_100015525214_100000764129 [0,1,0,1,0,0|1,0,0]=3 15627 B11R1.290 CCNC(=O)NNCC1CC1 273464a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 15628 B11R1.290 CCNC(=O)NNCC1CC1 512a_100000736359_100015525214 [0,1,0,1,0,0|2,0,0]=4 15629 B11R1.290 CCNC(=O)NNCC1CC1 512a_100015525214_100000736359 [0,1,0,1,0,0|2,0,0]=4 15630 B11R1.290 CCOC(=O)C=NNC1CC1 4a_100000701032_100000742314 [0,1,0,1,0,0|1,0,1]=4 15631 B11R1.290 CCOC(=O)CCNC1CC1 34a_100000212008_100000765890 [0,1,0,1,0,0|0,0,0]=2 15632 B11R1.290 CCOC(=O)CCSC1CC1 62a_100000765890_100000211595 [0,1,0,1,0,0|0,0,0]=2 15633 B11R1.290 CCOC(=O)CNCC1CC1 2230a_100000735609_100000188475 [0,1,0,1,0,0|0,0,0]=2 15634 B11R1.290 CCOC(=O)CNCC1CC1 34a_100000735609_100000188475 [0,1,0,1,0,0|0,0,0]=2 15635 B11R1.290 CCOC(=O)COCC1CC1 34a_100000211283_100000188475 [0,1,0,1,0,0|0,0,0]=2 15636 B11R1.290 CCOC(=O)COC[C@@H]1CO1 34a_100000757423_100000188475 [0,1,0,1,0,0|1,0,0]=3 15637 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000188475_100000742324 [0,1,0,1,0,0|0,0,0]=2 15638 B11R1.290 CCOC(=O)CSCC1CC1 62a_100000756562_100000188475 [0,1,0,1,0,0|0,0,0]=2 15639 B11R1.290 CCOC(=O)CSCC1CO1 62a_100000188475_102125554688 [0,1,0,1,0,0|1,0,0]=3 15640 B11R1.290 CCOC(=O)CSCC1CO1 62a_102125554688_100000188475 [0,1,0,1,0,0|1,0,0]=3 15641 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000031435_100000188475 [0,1,0,1,0,0|1,0,0]=3 15642 B11R1.290 CCOC(=O)CSCC1CS1 62a_100000188475_100000031435 [0,1,0,1,0,0|1,0,0]=3 15643 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000188475_100000745022 [0,1,0,1,0,0|1,0,0]=3 15644 B11R1.290 CCOC(=O)CSC[C@@H]1CO1 62a_100000745022_100000188475 [0,1,0,1,0,0|1,0,0]=3 15645 B11R1.290 CNNC(=O)CSCC1CC1 22a_100016993582_200011316215 [0,1,0,1,0,0|2,0,0]=4 15646 B11R1.290 CNNC(=O)NCCC1CC1 273464a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 15647 B11R1.290 CNNC(=O)NCCC1CC1 512a_100000764129_100016993582 [0,1,0,1,0,0|2,0,0]=4 15648 B11R1.290 CNNC(=O)NCCC1CC1 512a_100016993582_100000764129 [0,1,0,1,0,0|2,0,0]=4 15649 B11R1.290 COCC(=O)CCCC1CO1 1458a_100000210968_100000733510 [0,1,0,1,0,0|2,0,0]=4 15650 B11R1.290 COCC(=O)NCCC1CC1 1626a_100000764129_100000210968 [0,1,0,1,0,0|2,0,0]=4 15651 B11R1.290 COCC(=O)NCCC1CC1 240690a_100000764129_100000210968 [0,1,0,1,0,0|2,0,0]=4 15652 B11R1.290 COCC(=O)NCCC1CC1 527a_100000764129_100000210968 [0,1,0,1,0,0|2,0,0]=4 15653 B11R1.290 CSCC(=O)CCCC1CO1 1458a_100000184570_100000733510 [0,1,0,1,0,0|2,0,0]=4 15654 B11R1.290 CSCC(=O)NCCC1CC1 1626a_100000764129_100000184570 [0,1,0,1,0,0|2,0,0]=4 15655 B11R1.290 CSCC(=O)NCCC1CC1 240690a_100000764129_100000184570 [0,1,0,1,0,0|2,0,0]=4 15656 B11R1.290 CSCC(=O)NCCC1CC1 527a_100000764129_100000184570 [0,1,0,1,0,0|2,0,0]=4 15657 B11R1.290 O=C(CCF)CSCC1CC1 1458a_200011316215_100011217306 [0,1,0,1,0,0|2,0,0]=4 15658 B11R1.290 O=C(CCO)CCCC1CO1 1458a_100011216618_100000733510 [0,1,0,1,0,0|2,0,0]=4 15659 B11R1.290 O=C(CCO)CSCC1CC1 1458a_200011316215_100000211926 [0,1,0,1,0,0|2,0,0]=4 15660 B11R1.290 O=C(CCO)NCCC1CC1 240690a_100000764129_100011216618 [0,1,0,1,0,0|2,0,0]=4 15661 B11R1.290 O=C(CNCC1CC1)NCO 2230a_100000735609_100000185155 [0,1,0,1,0,0|2,0,0]=4 15662 B11R1.290 O=C(CNCC1CC1)NCO 34a_100000735609_100000185155 [0,1,0,1,0,0|2,0,0]=4 15663 B11R1.290 O=C(COCC1CC1)NCO 34a_100000211283_100000185155 [0,1,0,1,0,0|2,0,0]=4 15664 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000185155_100000742324 [0,1,0,1,0,0|2,0,0]=4 15665 B11R1.290 O=C(CSCC1CC1)NCO 62a_100000756562_100000185155 [0,1,0,1,0,0|2,0,0]=4 15666 B11R1.291 C=COC(=O)CN1CCC1C 269982a_100000755817_100000036128 [0,1,0,1,0,0|0,0,2]=4 15667 B11R1.291 C=COC(=O)CN1CCC1C 34a_100000755817_100000036128 [0,1,0,1,0,0|0,0,2]=4 15668 B11R1.291 CC1CCN1CC(=O)NCO 269982a_100000755817_100000185155 [0,1,0,1,0,0|2,0,0]=4 15669 B11R1.291 CC1CCN1CC(=O)NCO 34a_100000755817_100000185155 [0,1,0,1,0,0|2,0,0]=4 15670 B11R1.291 CCCC(=O)CN1CCC1C 269982a_100000755817_100000747444 [0,1,0,1,0,0|1,0,0]=3 15671 B11R1.291 CCNC(=O)CN1CCC1C 269982a_100000755817_100000183381 [0,1,0,1,0,0|1,0,0]=3 15672 B11R1.291 CCNC(=O)CN1CCC1C 34a_100000755817_100000183381 [0,1,0,1,0,0|1,0,0]=3 15673 B11R1.291 CCOC(=O)CN1CCC1C 269982a_100000755817_100000188475 [0,1,0,1,0,0|0,0,0]=2 15674 B11R1.291 CCOC(=O)CN1CCC1C 34a_100000755817_100000188475 [0,1,0,1,0,0|0,0,0]=2 15675 B11R1.356 C#CCCCCC(=O)C1CC1 1458a_100000210395_100010269958 [0,1,0,1,0,0|1,0,1]=4 15676 B11R1.356 C=CCCCCC(=O)C1CC1 1458a_100000210395_100011215482 [0,1,0,1,0,0|1,0,1]=4 15677 B11R1.356 CC/C=C\CCC(=O)C1CC1 1458a_100000210395_100015370543 [0,1,0,1,0,0|1,0,1]=4 15678 B11R1.356 CCCCCCC(=O)C1CC1 1458a_100000210395_100000210757 [0,1,0,1,0,0|1,0,0]=3 15679 B11R1.356 CCCCCCC(=O)C1CO1 1458a_100000701028_100000210757 [0,1,0,1,0,0|2,0,0]=4 15680 B11R1.356 CCCCCNC(=O)C1CC1 11a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 15681 B11R1.356 CCCCCNC(=O)C1CC1 1626a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 15682 B11R1.356 CCCCCNC(=O)C1CC1 240690a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 15683 B11R1.356 CCCCCNC(=O)C1CC1 527a_100000209983_100000210395 [0,1,0,1,0,0|1,0,0]=3 15684 B11R1.356 CCCCCNC(=O)C1CO1 11a_100000209983_100000701028 [0,1,0,1,0,0|2,0,0]=4 15685 B11R1.356 CCCCCNC(=O)C1CO1 1626a_100000209983_100000701028 [0,1,0,1,0,0|2,0,0]=4 15686 B11R1.356 CCCCCNC(=O)C1CO1 240690a_100000209983_100000701028 [0,1,0,1,0,0|2,0,0]=4 15687 B11R1.356 CCCCCNC(=O)C1CO1 527a_100000209983_100000701028 [0,1,0,1,0,0|2,0,0]=4 15688 B11R1.356 CCCCNCC(=O)C1CC1 2230a_100000102301_100000746382 [0,1,0,1,0,0|1,0,0]=3 15689 B11R1.356 CCCCNCC(=O)C1CC1 7a_106832991798_100000746382 [0,1,0,1,0,0|1,0,0]=3 15690 B11R1.356 CCCCNNC(=O)C1CC1 22a_100025702795_100000210395 [0,1,0,1,0,0|2,0,0]=4 15691 B11R1.356 CCCCOCC(=O)C1CC1 1458a_100000210395_100011995733 [0,1,0,1,0,0|1,0,0]=3 15692 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 15693 B11R1.356 CCCCOCC(=O)C1CC1 34a_100000686663_100000210210 [0,1,0,1,0,0|1,0,0]=3 15694 B11R1.356 CCCCOCC(=O)C1CC1 7a_100000210227_100000746382 [0,1,0,1,0,0|1,0,0]=3 15695 B11R1.356 CCCCOCC(=O)C1CO1 1458a_100000701028_100011995733 [0,1,0,1,0,0|2,0,0]=4 15696 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000210211_100000746382 [0,1,0,1,0,0|1,0,0]=3 15697 B11R1.356 CCCCSCC(=O)C1CC1 62a_100000746382_100000210210 [0,1,0,1,0,0|1,0,0]=3 15698 B11R1.356 CCCOCCC(=O)C1CC1 1458a_100000210395_100011215938 [0,1,0,1,0,0|1,0,0]=3 15699 B11R1.356 CCCOCCC(=O)C1CO1 1458a_100000701028_100011215938 [0,1,0,1,0,0|2,0,0]=4 15700 B11R1.356 CCCOCOC(=O)C1CC1 34a_100000210258_100000140896 [0,1,0,1,0,0|2,0,0]=4 15701 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000140896_100000210303 [0,1,0,1,0,0|2,0,0]=4 15702 B11R1.356 CCCSCOC(=O)C1CC1 62a_100000210303_100000140896 [0,1,0,1,0,0|2,0,0]=4 15703 B11R1.356 CCOCCCC(=O)C1CC1 1458a_100000210395_100012232248 [0,1,0,1,0,0|1,0,0]=3 15704 B11R1.356 CCOCCCC(=O)C1CO1 1458a_100000701028_100012232248 [0,1,0,1,0,0|2,0,0]=4 15705 B11R1.356 CCOCCNC(=O)C1CC1 11a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 15706 B11R1.356 CCOCCNC(=O)C1CC1 1626a_102516460346_100000210395 [0,1,0,1,0,0|2,0,0]=4 15707 B11R1.356 CCOCCNC(=O)C1CC1 240690a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 15708 B11R1.356 CCOCCNC(=O)C1CC1 527a_100011200944_100000210395 [0,1,0,1,0,0|2,0,0]=4 15709 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000739092_100000746382 [0,1,0,1,0,0|2,0,0]=4 15710 B11R1.356 CCOCSCC(=O)C1CC1 62a_100000746382_100000739092 [0,1,0,1,0,0|2,0,0]=4 15711 B11R1.356 CCSCCNC(=O)C1CC1 11a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 15712 B11R1.356 CCSCCNC(=O)C1CC1 1626a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 15713 B11R1.356 CCSCCNC(=O)C1CC1 240690a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 15714 B11R1.356 CCSCCNC(=O)C1CC1 527a_100000106463_100000210395 [0,1,0,1,0,0|2,0,0]=4 15715 B11R1.356 COCCCCC(=O)C1CC1 1458a_100000210395_100000755781 [0,1,0,1,0,0|1,0,0]=3 15716 B11R1.356 COCCCCC(=O)C1CO1 1458a_100000701028_100000755781 [0,1,0,1,0,0|2,0,0]=4 15717 B11R1.356 COCCCNC(=O)C1CC1 1626a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 15718 B11R1.356 COCCCNC(=O)C1CC1 240690a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 15719 B11R1.356 COCCCNC(=O)C1CC1 527a_100150723488_100000210395 [0,1,0,1,0,0|2,0,0]=4 15720 B11R1.356 COCCNCC(=O)C1CC1 2230a_100000209980_100000746382 [0,1,0,1,0,0|2,0,0]=4 15721 B11R1.356 COCCOCC(=O)C1CC1 34a_100000210237_100000746382 [0,1,0,1,0,0|2,0,0]=4 15722 B11R1.356 COCCOCC(=O)C1CC1 34a_100000686663_100011201679 [0,1,0,1,0,0|2,0,0]=4 15723 B11R1.356 COCCSCC(=O)C1CC1 62a_100000233755_100000746382 [0,1,0,1,0,0|2,0,0]=4 15724 B11R1.356 COCCSCC(=O)C1CC1 62a_100000746382_100000233755 [0,1,0,1,0,0|2,0,0]=4 15725 B11R1.356 CSCCCNC(=O)C1CC1 11a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 15726 B11R1.356 CSCCCNC(=O)C1CC1 1626a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 15727 B11R1.356 CSCCCNC(=O)C1CC1 240690a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 15728 B11R1.356 CSCCCNC(=O)C1CC1 527a_100000749238_100000210395 [0,1,0,1,0,0|2,0,0]=4 15729 B11R1.356 CSCCNCC(=O)C1CC1 2230a_100020590264_100000746382 [0,1,0,1,0,0|2,0,0]=4 15730 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 15731 B11R1.356 CSCCOCC(=O)C1CC1 34a_100000686663_100000212216 [0,1,0,1,0,0|2,0,0]=4 15732 B11R1.356 CSCCOCC(=O)C1CC1 7a_100000230434_100000746382 [0,1,0,1,0,0|2,0,0]=4 15733 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000212216_100000746382 [0,1,0,1,0,0|2,0,0]=4 15734 B11R1.356 CSCCSCC(=O)C1CC1 62a_100000746382_100000751147 [0,1,0,1,0,0|2,0,0]=4 15735 B11R1.356 N#CCCCCC(=O)C1CC1 1458a_100000210395_100000211819 [0,1,0,1,0,0|1,0,1]=4 15736 B11R1.356 NCCCOCC(=O)C1CC1 34a_100000182051_100000746382 [0,1,0,1,0,0|2,0,0]=4 15737 B11R1.356 O=C(CCCCCF)C1CC1 1458a_100000210395_100000729378 [0,1,0,1,0,0|1,0,0]=3 15738 B11R1.356 O=C(CCCCCF)C1CO1 1458a_100000701028_100000729378 [0,1,0,1,0,0|2,0,0]=4 15739 B11R1.356 O=C(CCCCCO)C1CC1 1458a_100000210395_100000746330 [0,1,0,1,0,0|1,0,0]=3 15740 B11R1.356 O=C(CCCCCO)C1CO1 1458a_100000701028_100000746330 [0,1,0,1,0,0|2,0,0]=4 15741 B11R1.356 O=C(CCOCCO)C1CC1 1458a_100000210395_100011215305 [0,1,0,1,0,0|2,0,0]=4 15742 B11R1.356 O=C(CNCCCF)C1CC1 2230a_100015189416_100000746382 [0,1,0,1,0,0|2,0,0]=4 15743 B11R1.356 O=C(CNCCCF)C1CC1 34a_100015189416_100000746382 [0,1,0,1,0,0|2,0,0]=4 15744 B11R1.356 O=C(COCCCBr)C1CC1 34a_100011217188_100000746382 [0,1,0,1,0,0|2,0,0]=4 15745 B11R1.356 O=C(COCCCCl)C1CC1 34a_100000230001_100000746382 [0,1,0,1,0,0|2,0,0]=4 15746 B11R1.356 O=C(COCCCF)C1CC1 34a_100000686663_100011934791 [0,1,0,1,0,0|2,0,0]=4 15747 B11R1.356 O=C(COCCCF)C1CC1 34a_100000759539_100000746382 [0,1,0,1,0,0|2,0,0]=4 15748 B11R1.356 O=C(COCCCO)C1CC1 34a_100000686663_100000230001 [0,1,0,1,0,0|2,0,0]=4 15749 B11R1.356 O=C(CSCCCF)C1CC1 62a_100000746382_100011934791 [0,1,0,1,0,0|2,0,0]=4 15750 B11R1.356 O=C(CSCCCF)C1CC1 62a_100011934791_100000746382 [0,1,0,1,0,0|2,0,0]=4 15751 B11R1.356 O=C(CSCCCO)C1CC1 62a_100000746382_100011215043 [0,1,0,1,0,0|2,0,0]=4 15752 B11R1.356 O=C(CSCCCO)C1CC1 62a_100011215043_100000746382 [0,1,0,1,0,0|2,0,0]=4 15753 B11R1.356 O=C(NCCCCO)C1CC1 240690a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 15754 B11R1.356 O=C(NCCCCO)C1CC1 527a_100000750430_100000210395 [0,1,0,1,0,0|2,0,0]=4 15755 B11R1.779 CCOC1(CCCCCC1)C 34a_100000708895_100000210202 [0,1,0,1,0,0|1,0,1]=4 15756 B11R1.779 CCOC1(CCCCCC1)C 7a_100000708895_100000210202 [0,1,0,1,0,0|1,0,1]=4 15757 B11R1.779 CCOC1(CCCNCC1)C 34a_100000723723_100000210202 [0,1,0,1,0,0|1,0,1]=4 15758 B11R1.187 CCN1CC(CC1=O)CNC 2230a_100011935115_200000210301 [0,1,0,1,0,0|2,0,0]=4 15759 B11R1.187 CCN1CC(CC1=O)CNC 34a_100011935115_200000210301 [0,1,0,1,0,0|2,0,0]=4 15760 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 2230a_100011935115_200025704644 [0,1,0,1,0,0|2,0,0]=4 15761 B11R1.187 CCN1CC(CC1=O)CN[13CH3] 34a_100011935115_200025704644 [0,1,0,1,0,0|2,0,0]=4 15762 B11R1.187 CCN1CC(CC1=O)COC 34a_100000758270_200000210301 [0,1,0,1,0,0|2,0,0]=4 15763 B11R1.187 CCN1CC(CC1=O)COC 7a_100000758270_200000210301 [0,1,0,1,0,0|2,0,0]=4 15764 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 34a_100000758270_200025704644 [0,1,0,1,0,0|2,0,0]=4 15765 B11R1.187 CCN1CC(CC1=O)CO[13CH3] 7a_100000758270_200025704644 [0,1,0,1,0,0|2,0,0]=4 15766 B11R1.187 CCNC1CC(=O)N(C1)CC 2230a_100015184948_100000210202 [0,1,0,1,0,0|2,0,0]=4 15767 B11R1.187 CCNC1CC(=O)N(C1)CC 34a_100015184948_100000210202 [0,1,0,1,0,0|2,0,0]=4 15768 B11R1.201 CCCC(=O)CC1CC(=O)C1 1458a_100000211992_100009874392 [0,1,0,1,0,0|1,0,1]=4 15769 B11R1.201 CCCC(=O)CN1CC(C1)C 2230a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 15770 B11R1.201 CCCC(=O)CN1CC(C1)C 269982a_100000702820_100000747444 [0,1,0,1,0,0|2,0,0]=4 15771 B11R1.201 CCCC(=O)CN1CC(C1)F 2230a_100000690557_100000747444 [0,1,0,1,0,0|2,0,0]=4 15772 B11R1.201 CCCC(=O)CN1CC(C1)F 269982a_100000690557_100000747444 [0,1,0,1,0,0|2,0,0]=4 15773 B11R1.201 CCCC(=O)CN1CC(C1)O 269982a_100000749847_100000747444 [0,1,0,1,0,0|2,0,0]=4 15774 B11R1.201 CCCC(=O)NC1CC(C1)F 11a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 15775 B11R1.201 CCCC(=O)NC1CC(C1)F 1626a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 15776 B11R1.201 CCCC(=O)NC1CC(C1)F 240690a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 15777 B11R1.201 CCCC(=O)NC1CC(C1)F 527a_100016993743_100000211992 [0,1,0,1,0,0|2,0,0]=4 15778 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 11a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 15779 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 1626a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 15780 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 240690a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 15781 B11R1.201 CCCC(=O)N[C@H]1C[C@@H](C1)O 527a_100020629032_100000211992 [0,1,0,1,0,0|2,0,0]=4 15782 B11R1.201 CCNC(=O)CN1CC(C1)C 2230a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 15783 B11R1.201 CCNC(=O)CN1CC(C1)C 269982a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 15784 B11R1.201 CCNC(=O)CN1CC(C1)C 34a_100000702820_100000183381 [0,1,0,1,0,0|2,0,0]=4 15785 B11R1.201 CCNC(=O)CN1CC(C1)F 2230a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 15786 B11R1.201 CCNC(=O)CN1CC(C1)F 269982a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 15787 B11R1.201 CCNC(=O)CN1CC(C1)F 34a_100000690557_100000183381 [0,1,0,1,0,0|2,0,0]=4 15788 B11R1.201 CCNC(=O)CN1CC(C1)O 269982a_100000749847_100000183381 [0,1,0,1,0,0|2,0,0]=4 15789 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 15790 B11R1.201 CCNC(=O)NC1CC(C1)F 2708a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 15791 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 15792 B11R1.201 CCNC(=O)NC1CC(C1)F 273464a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 15793 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100015525214_100016993743 [0,1,0,1,0,0|2,0,0]=4 15794 B11R1.201 CCNC(=O)NC1CC(C1)F 512a_100016993743_100015525214 [0,1,0,1,0,0|2,0,0]=4 15795 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 2708a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 15796 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 15797 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 273464a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 15798 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100015525214_100020629032 [0,1,0,1,0,0|2,0,0]=4 15799 B11R1.201 CCNC(=O)N[C@H]1C[C@@H](C1)O 512a_100020629032_100015525214 [0,1,0,1,0,0|2,0,0]=4 15800 B11R1.201 CCOC(=O)CN1CC(C1)C 2230a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 15801 B11R1.201 CCOC(=O)CN1CC(C1)C 269982a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 15802 B11R1.201 CCOC(=O)CN1CC(C1)C 34a_100000702820_100000188475 [0,1,0,1,0,0|1,0,0]=3 15803 B11R1.201 CCOC(=O)CN1CC(C1)F 2230a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 15804 B11R1.201 CCOC(=O)CN1CC(C1)F 269982a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 15805 B11R1.201 CCOC(=O)CN1CC(C1)F 34a_100000690557_100000188475 [0,1,0,1,0,0|1,0,0]=3 15806 B11R1.201 CCOC(=O)CN1CC(C1)O 269982a_100000749847_100000188475 [0,1,0,1,0,0|1,0,0]=3 15807 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000210395_100000747444 [0,1,0,1,0,0|1,0,1]=4 15808 B11R1.334 CCCC(=O)CC(=O)C1CC1 1458a_100000211992_100000746382 [0,1,0,1,0,0|1,0,1]=4 15809 B11R1.334 CCCC(=O)CN(C)C1CC1 2230a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 15810 B11R1.334 CCCC(=O)CN(C)C1CC1 269982a_100000226674_100000747444 [0,1,0,1,0,0|2,0,0]=4 15811 B11R1.334 CCCC(=O)NC(C)C1CC1 11a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 15812 B11R1.334 CCCC(=O)NC(C)C1CC1 1626a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 15813 B11R1.334 CCCC(=O)NC(C)C1CC1 240690a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 15814 B11R1.334 CCCC(=O)NC(C)C1CC1 527a_100000700016_100000211992 [0,1,0,1,0,0|2,0,0]=4 15815 B11R1.334 CCCC(C)CC(=O)C1CC1 1458a_100000210395_100011216630 [0,1,0,1,0,0|1,0,0]=3 15816 B11R1.334 CCCC(C)CC(=O)C1CO1 1458a_100000701028_100011216630 [0,1,0,1,0,0|2,0,0]=4 15817 B11R1.334 CCCC(C)NC(=O)C1CC1 11a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 15818 B11R1.334 CCCC(C)NC(=O)C1CC1 1626a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 15819 B11R1.334 CCCC(C)NC(=O)C1CC1 240690a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 15820 B11R1.334 CCCC(C)NC(=O)C1CC1 527a_100000741246_100000210395 [0,1,0,1,0,0|2,0,0]=4 15821 B11R1.334 CCCN(C)CC(=O)C1CC1 2230a_100000747261_100000746382 [0,1,0,1,0,0|2,0,0]=4 15822 B11R1.334 CCCN(C)CC(=O)C1CC1 269982a_100000747261_100000746382 [0,1,0,1,0,0|2,0,0]=4 15823 B11R1.334 CCNC(=O)CC(=O)C1CC1 1458a_100000210395_100000183381 [0,1,0,1,0,0|1,0,1]=4 15824 B11R1.334 CCNC(=O)CN(C)C1CC1 2230a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 15825 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000226674_100000183381 [0,1,0,1,0,0|2,0,0]=4 15826 B11R1.334 CCNC(=O)CN(C)C1CC1 269982a_100000741943_100000211595 [0,1,0,1,0,0|2,0,0]=4 15827 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 15828 B11R1.334 CCNC(=O)NC(C)C1CC1 2708a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 15829 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 15830 B11R1.334 CCNC(=O)NC(C)C1CC1 273464a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 15831 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100000700016_100015525214 [0,1,0,1,0,0|2,0,0]=4 15832 B11R1.334 CCNC(=O)NC(C)C1CC1 512a_100015525214_100000700016 [0,1,0,1,0,0|2,0,0]=4 15833 B11R1.334 CCOC(=O)CC(=O)C1CC1 1458a_100000210395_100000188475 [0,1,0,1,0,0|0,0,1]=3 15834 B11R1.334 CCOC(=O)CC(=O)C1CO1 1458a_100000701028_100000188475 [0,1,0,1,0,0|1,0,1]=4 15835 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000220965_200000210301 [0,1,0,1,0,0|1,0,0]=3 15836 B11R1.334 CCOC(=O)CN(C)C1CC1 2230a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 15837 B11R1.334 CCOC(=O)CN(C)C1CC1 269982a_100000226674_100000188475 [0,1,0,1,0,0|1,0,0]=3 15838 B11R1.334 CCOC(=O)CN([13CH3])C1CC1 2230a_100000220965_200025704644 [0,1,0,1,0,0|1,0,0]=3 15839 B11R1.840 CC#CC(=O)CC1(CCC1)C 1458a_100000763181_100000726658 [0,1,0,1,0,0|1,0,1]=4 15840 B11R1.840 CC1(CCC1)CC(=O)CCO 1458a_100011216618_100000726658 [0,1,0,1,0,0|2,0,0]=4 15841 B11R1.840 CC=CC(=O)CC1(CCC1)C 1458a_100000210699_100000726658 [0,1,0,1,0,0|1,0,1]=4 15842 B11R1.840 CCCC(=O)CC1(CCC1)C 1458a_100000211992_100000726658 [0,1,0,1,0,0|1,0,0]=3 15843 B11R1.840 CCCC(=O)CC1(COC1)C 1458a_100000211992_100000066812 [0,1,0,1,0,0|2,0,0]=4 15844 B11R1.840 CCCC(=O)NC1(CCC1)C 11a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 15845 B11R1.840 CCCC(=O)NC1(CCC1)C 1626a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 15846 B11R1.840 CCCC(=O)NC1(CCC1)C 240690a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 15847 B11R1.840 CCCC(=O)NC1(CCC1)C 527a_100000692455_100000211992 [0,1,0,1,0,0|2,0,0]=4 15848 B11R1.840 CCNC(=O)NC1(CCC1)C 2708a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 15849 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100000692455_100015525214 [0,1,0,1,0,0|2,0,0]=4 15850 B11R1.840 CCNC(=O)NC1(CCC1)C 273464a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 15851 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100000692455_100015525214 [0,1,0,1,0,0|2,0,0]=4 15852 B11R1.840 CCNC(=O)NC1(CCC1)C 512a_100015525214_100000692455 [0,1,0,1,0,0|2,0,0]=4 15853 B11R1.840 COCC(=O)CC1(CCC1)C 1458a_100000210968_100000726658 [0,1,0,1,0,0|2,0,0]=4 15854 B11R1.840 CSCC(=O)CC1(CCC1)C 1458a_100000184570_100000726658 [0,1,0,1,0,0|2,0,0]=4 15855 B11R1.15 CCCC(=O)C1CCC(C1)O 1458a_100000688591_100000210303 [0,1,0,1,0,0|1,0,0]=3 15856 B11R1.15 CCCC(=O)C1CCN(C1)C 1458a_100000739633_100000210303 [0,1,0,1,0,0|2,0,0]=4 15857 B11R1.15 CCCC(=O)N1CCC(C1)O 240690a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 15858 B11R1.15 CCCC(=O)N1CCC(C1)O 527a_100011215560_100000211992 [0,1,0,1,0,0|2,0,0]=4 15859 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 11a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 15860 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 15861 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 15862 B11R1.15 CCCC(=O)N1CC[C@@H](C1)F 527a_100015203821_100000211992 [0,1,0,1,0,0|2,0,0]=4 15863 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 15864 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 15865 B11R1.15 CCCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000211992 [0,1,0,1,0,0|2,0,0]=4 15866 B11R1.15 CCNC(=O)C1CCC(C1)O 240690a_100015525214_100000688591 [0,1,0,1,0,0|1,0,0]=3 15867 B11R1.15 CCNC(=O)C1CCN(C1)C 240690a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 15868 B11R1.15 CCNC(=O)C1CCN(C1)C 527a_100015525214_100000739633 [0,1,0,1,0,0|2,0,0]=4 15869 B11R1.15 CCNC(=O)N1CCC(C1)O 2708a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 15870 B11R1.15 CCNC(=O)N1CCC(C1)O 273464a_100015525214_100011215560 [0,1,0,1,0,0|2,0,0]=4 15871 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 2708a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 15872 B11R1.15 CCNC(=O)N1CC[C@@H](C1)F 273464a_100015525214_100015203821 [0,1,0,1,0,0|2,0,0]=4 15873 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 2708a_100015525214_100016987628 [0,1,0,1,0,0|2,0,0]=4 15874 B11R1.15 CCNC(=O)N1CC[C@H](C1)C 273464a_100015525214_100016987628 [0,1,0,1,0,0|2,0,0]=4 15875 B11R1.15 CCOC(=O)C1CCN(C1)C 2230a_100016987290_200000210301 [0,1,0,1,0,0|1,0,0]=3 15876 B11R1.15 CCOC(=O)C1CCN(C1)C 269982a_100016987290_200000210301 [0,1,0,1,0,0|1,0,0]=3 15877 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 2230a_100016987290_200025704644 [0,1,0,1,0,0|1,0,0]=3 15878 B11R1.15 CCOC(=O)C1CCN(C1)[13CH3] 269982a_100016987290_200025704644 [0,1,0,1,0,0|1,0,0]=3 15879 B11R1.15 CNNC(=O)C1CCC(C1)O 22a_100016993582_100000688591 [0,1,0,1,0,0|2,0,0]=4 15880 B11R1.15 O=C(CCF)C1CCC(C1)O 1458a_100000688591_100011217306 [0,1,0,1,0,0|2,0,0]=4 15881 B11R1.15 O=C(CCO)C1CCC(C1)O 1458a_100000688591_100000211926 [0,1,0,1,0,0|2,0,0]=4 15882 B11R1.90 C=C(C)COC1CCOC1=O 34a_100000210245_100000211211 [0,1,0,1,0,0|1,0,1]=4 15883 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000211211_100000211660 [0,1,0,1,0,0|1,0,1]=4 15884 B11R1.90 C=C(C)CSC1CCOC1=O 62a_100000748629_100000211211 [0,1,0,1,0,0|1,0,1]=4 15885 B11R1.90 CC(=O)CCC1CCOC1=O 1458a_100000117037_200000210301 [0,1,0,1,0,0|0,0,1]=3 15886 B11R1.90 CC(=O)CCN1CCOC1=O 1458a_100000744634_200000210301 [0,1,0,1,0,0|1,0,1]=4 15887 B11R1.90 CC(=O)COC1CCOC1=O 34a_100000211253_100000211211 [0,1,0,1,0,0|1,0,1]=4 15888 B11R1.90 CC(Br)COC1CCCC1=O 34a_100012180447_100000709159 [0,1,0,1,0,0|2,0,0]=4 15889 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,1,0,1,0,0|1,0,0]=3 15890 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,1,0,1,0,0|2,0,0]=4 15891 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,1,0,1,0,0|2,0,0]=4 15892 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,1,0,1,0,0|2,0,0]=4 15893 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,1,0,1,0,0|2,0,0]=4 15894 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,1,0,1,0,0|2,0,0]=4 15895 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,1,0,1,0,0|1,0,0]=3 15896 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,1,0,1,0,0|1,0,0]=3 15897 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,1,0,1,0,0|2,0,0]=4 15898 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,1,0,1,0,0|2,0,0]=4 15899 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,1,0,1,0,0|1,0,0]=3 15900 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,1,0,1,0,0|2,0,0]=4 15901 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,1,0,1,0,0|2,0,0]=4 15902 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,1,0,1,0,0|2,0,0]=4 15903 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,1,0,1,0,0|1,0,0]=3 15904 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,1,0,1,0,0|1,0,0]=3 15905 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,1,0,1,0,0|2,0,0]=4 15906 B11R1.90 CC(F)COC1CCCC1=O 34a_100015925927_100000709159 [0,1,0,1,0,0|2,0,0]=4 15907 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,1,0,1,0,0|1,0,0]=3 15908 B11R1.90 CC(O)CNC1CCCC1=O 2230a_100000210904_100000211823 [0,1,0,1,0,0|2,0,0]=4 15909 B11R1.90 CC(O)CNC1CCCC1=O 34a_100000210904_100000709159 [0,1,0,1,0,0|2,0,0]=4 15910 B11R1.90 CC(O)CNC1CCNC1=O 2230a_100016995588_100011218427 [0,1,0,1,0,0|2,0,0]=4 15911 B11R1.90 CC(O)CNC1CCNC1=O 34a_100016995588_100011218427 [0,1,0,1,0,0|2,0,0]=4 15912 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,1,0,1,0,0|1,0,0]=3 15913 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|1,0,0]=3 15914 B11R1.90 CC(O)COC1CCCC1=O 34a_200000719330_100011218427 [0,1,0,1,0,0|2,0,0]=4 15915 B11R1.90 CC(O)CO[C@H]1CCNC1=O 34a_100000688343_100011218427 [0,1,0,1,0,0|2,0,0]=4 15916 B11R1.90 CC(O)CSC1CCCC1=O 62a_100000211823_100011218427 [0,1,0,1,0,0|2,0,0]=4 15917 B11R1.90 CC(O)CSC1CCCC1=O 62a_100011218427_100000211823 [0,1,0,1,0,0|2,0,0]=4 15918 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,1,0,1,0,0|1,0,0]=3 15919 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,1,0,1,0,0|1,0,0]=3 15920 B11R1.90 C[C@@H](Cl)COC1CCCC1=O 34a_100016084084_100000709159 [0,1,0,1,0,0|2,0,0]=4 15921 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,1,0,1,0,0|1,0,0]=3 15922 B11R1.90 C[C@@H](N)COC1CCCC1=O 34a_100000737577_100000709159 [0,1,0,1,0,0|2,0,0]=4 15923 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,1,0,1,0,0|1,0,0]=3 15924 B11R1.90 C[C@@H](O)CNC1CCNC1=O 2230a_100016995588_100009817552 [0,1,0,1,0,0|2,0,0]=4 15925 B11R1.90 C[C@@H](O)CNC1CCNC1=O 34a_100016995588_100009817552 [0,1,0,1,0,0|2,0,0]=4 15926 B11R1.90 C[C@@H](O)COC1CCCC1=O 34a_200000719330_100009817552 [0,1,0,1,0,0|2,0,0]=4 15927 B11R1.90 C[C@@H](O)CO[C@H]1CCNC1=O 34a_100000688343_100009817552 [0,1,0,1,0,0|2,0,0]=4 15928 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100000211823_100009817552 [0,1,0,1,0,0|2,0,0]=4 15929 B11R1.90 C[C@@H](O)CSC1CCCC1=O 62a_100009817552_100000211823 [0,1,0,1,0,0|2,0,0]=4 15930 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,1,0,1,0,0|1,0,0]=3 15931 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,1,0,1,0,0|1,0,0]=3 15932 B11R1.90 O=C1OCCC1NCC(F)F 34a_100000765723_100000211211 [0,1,0,1,0,0|2,0,0]=4 15933 B11R1.90 O=C1OCCC1OCC(F)F 34a_100000743014_100000211211 [0,1,0,1,0,0|2,0,0]=4 15934 B11R1.90 O=C1OCCC1SCC(F)F 62a_100000211211_100011934356 [0,1,0,1,0,0|2,0,0]=4 15935 B11R1.90 O=C1OCCC1SCC(F)F 62a_100011934356_100000211211 [0,1,0,1,0,0|2,0,0]=4 15936 B11R1.90 [13CH3]C(=O)CCC1CCOC1=O 1458a_100000117037_200025704644 [0,1,0,1,0,0|0,0,1]=3 15937 B11R1.90 [13CH3]C(=O)CCN1CCOC1=O 1458a_100000744634_200025704644 [0,1,0,1,0,0|1,0,1]=4 15938 B11R1.157 C=C(C)CN1CCOC(=O)C1 2230a_100000131268_100000748629 [0,1,0,1,0,0|1,0,1]=4 15939 B11R1.157 CC(C)CN1CCNC(=O)C1 2230a_100000184651_100000210760 [0,1,0,1,0,0|2,0,0]=4 15940 B11R1.157 CC(C)CN1CCNC(=O)C1 270004a_100000184651_100000210432 [0,1,0,1,0,0|2,0,0]=4 15941 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,1,0,1,0,0|1,0,0]=3 15942 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,1,0,1,0,0|1,0,0]=3 15943 B11R1.157 CC(C)NC1CCNC(=O)C1 2230a_100016994916_100000210206 [0,1,0,1,0,0|2,0,0]=4 15944 B11R1.157 CC(C)NC1CCNC(=O)C1 34a_100016994916_100000210206 [0,1,0,1,0,0|2,0,0]=4 15945 B11R1.157 CC(C)OC1CCCC(=O)C1 34a_100012613340_100000210206 [0,1,0,1,0,0|2,0,0]=4 15946 B11R1.157 CC(C)O[C@@H]1CCNC(=O)C1 34a_100015189427_100000210206 [0,1,0,1,0,0|2,0,0]=4 15947 B11R1.157 CC(O)CN1CCNC(=O)C1 2230a_100000184651_100011218427 [0,1,0,1,0,0|2,0,0]=4 15948 B11R1.157 CC(O)CN1CCOC(=O)C1 2230a_100000131268_100011218427 [0,1,0,1,0,0|1,0,0]=3 15949 B11R1.157 CC1CCCC(C1)OC(C)C 34a_100000211399_100000210206 [0,1,0,1,0,0|1,0,1]=4 15950 B11R1.157 C[C@@H](O)CN1CCNC(=O)C1 2230a_100000184651_100009817552 [0,1,0,1,0,0|2,0,0]=4 15951 B11R1.157 C[C@@H](O)CN1CCOC(=O)C1 2230a_100000131268_100009817552 [0,1,0,1,0,0|1,0,0]=3 15952 B11R1.157 O=C1CN(CCO1)CC(F)F 2230a_100000131268_100011934356 [0,1,0,1,0,0|2,0,0]=4 15953 B11R1.342 CCOC1CCCC(C1)(C)C 7a_100011995757_100000210202 [0,1,0,1,0,0|1,0,1]=4 15954 B11R1.565 CC(C)N1CCNC(=O)CC1 2230a_100000698595_100000210206 [0,1,0,1,0,0|2,0,0]=4 15955 B11R1.565 CC(C)N1CCNC(=O)CC1 269982a_100000698595_100000210206 [0,1,0,1,0,0|2,0,0]=4 15956 B11R1.720 CC(=O)CCCC(=O)C1CC1 1458a_100000210395_100011215641 [0,1,0,1,0,0|1,0,1]=4 15957 B11R1.720 CC(Br)COCC(=O)C1CC1 34a_100012180447_100000746382 [0,1,0,1,0,0|2,0,0]=4 15958 B11R1.720 CC(C)CCCC(=O)C1CC1 1458a_100000210395_100011214892 [0,1,0,1,0,0|1,0,0]=3 15959 B11R1.720 CC(C)CCCC(=O)C1CO1 1458a_100000701028_100011214892 [0,1,0,1,0,0|2,0,0]=4 15960 B11R1.720 CC(C)CCNC(=O)C1CC1 11a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 15961 B11R1.720 CC(C)CCNC(=O)C1CC1 1626a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 15962 B11R1.720 CC(C)CCNC(=O)C1CC1 240690a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 15963 B11R1.720 CC(C)CCNC(=O)C1CC1 527a_100000210545_100000210395 [0,1,0,1,0,0|2,0,0]=4 15964 B11R1.720 CC(C)CNCC(=O)C1CC1 2230a_100000210953_100000746382 [0,1,0,1,0,0|2,0,0]=4 15965 B11R1.720 CC(C)CNCC(=O)C1CC1 34a_100000210953_100000746382 [0,1,0,1,0,0|2,0,0]=4 15966 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000210257_100000746382 [0,1,0,1,0,0|2,0,0]=4 15967 B11R1.720 CC(C)COCC(=O)C1CC1 34a_100000686663_100000210624 [0,1,0,1,0,0|2,0,0]=4 15968 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000210624_100000746382 [0,1,0,1,0,0|2,0,0]=4 15969 B11R1.720 CC(C)CSCC(=O)C1CC1 62a_100000746382_100000210760 [0,1,0,1,0,0|2,0,0]=4 15970 B11R1.720 CC(C)OCCC(=O)C1CC1 1458a_100000210395_100000211751 [0,1,0,1,0,0|2,0,0]=4 15971 B11R1.720 CC(C)SCCC(=O)C1CC1 1458a_100000210395_100000730970 [0,1,0,1,0,0|2,0,0]=4 15972 B11R1.720 CC(F)COCC(=O)C1CC1 34a_100015925927_100000746382 [0,1,0,1,0,0|2,0,0]=4 15973 B11R1.720 CC(O)CCCC(=O)C1CC1 1458a_100000210395_200000718107 [0,1,0,1,0,0|1,0,0]=3 15974 B11R1.720 CC(O)CCCC(=O)C1CO1 1458a_100000701028_200000718107 [0,1,0,1,0,0|2,0,0]=4 15975 B11R1.720 CC(O)CCNC(=O)C1CC1 240690a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 15976 B11R1.720 CC(O)CCNC(=O)C1CC1 527a_200000755665_100000210395 [0,1,0,1,0,0|2,0,0]=4 15977 B11R1.720 CC(O)CNCC(=O)C1CC1 2230a_100000210904_100000746382 [0,1,0,1,0,0|2,0,0]=4 15978 B11R1.720 CC(O)CNCC(=O)C1CC1 34a_100000210904_100000746382 [0,1,0,1,0,0|2,0,0]=4 15979 B11R1.720 CC(O)COCC(=O)C1CC1 34a_100000686663_100011218427 [0,1,0,1,0,0|2,0,0]=4 15980 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100000746382_100011218427 [0,1,0,1,0,0|2,0,0]=4 15981 B11R1.720 CC(O)CSCC(=O)C1CC1 62a_100011218427_100000746382 [0,1,0,1,0,0|2,0,0]=4 15982 B11R1.720 CN(C)CCCC(=O)C1CC1 1458a_100000210395_100000695564 [0,1,0,1,0,0|2,0,0]=4 15983 B11R1.720 C[C@@H](Cl)COCC(=O)C1CC1 34a_100016084084_100000746382 [0,1,0,1,0,0|2,0,0]=4 15984 B11R1.720 C[C@@H](N)COCC(=O)C1CC1 34a_100000737577_100000746382 [0,1,0,1,0,0|2,0,0]=4 15985 B11R1.720 C[C@@H](O)COCC(=O)C1CC1 34a_100000686663_100009817552 [0,1,0,1,0,0|2,0,0]=4 15986 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100000746382_100009817552 [0,1,0,1,0,0|2,0,0]=4 15987 B11R1.720 C[C@@H](O)CSCC(=O)C1CC1 62a_100009817552_100000746382 [0,1,0,1,0,0|2,0,0]=4 15988 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)C 1458a_100009818562_200000210301 [0,1,0,1,0,0|0,0,1]=3 15989 B11R1.816 CCOC(=O)[C@@H]1C[C@H]1C(=O)[13CH3] 1458a_100009818562_200025704644 [0,1,0,1,0,0|0,0,1]=3 15990 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000138109_100000210303 [0,1,0,1,0,0|2,0,0]=4 15991 B11R1.839 CCCC(=O)CC1CC1(F)F 1458a_100000211992_100009817841 [0,1,0,1,0,0|2,0,0]=4 15992 B11R1.839 CCNC(=O)CC1CC1(F)F 11a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 15993 B11R1.839 CCNC(=O)CC1CC1(F)F 240690a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 15994 B11R1.839 CCNC(=O)CC1CC1(F)F 527a_100015525214_100000138109 [0,1,0,1,0,0|2,0,0]=4 15995 B11R1.27 CCCCCc1nc(no1)C 270196a_100000212224_100000212188 [0,1,0,1,0,0|1,0,1]=4 15996 B11R1.27 CCCCCc1noc(n1)C 270196a_200011207956_100000070787 [0,1,0,1,0,0|1,0,1]=4 15997 B11R1.77 C=C(C)CC(=O)C1CCCC1 1458a_100000210718_100000748629 [0,1,0,1,0,0|1,0,1]=4 15998 B11R1.77 CC(=CC(=O)C1CCCC1)C 1458a_100000211388_100000179811 [0,1,0,1,0,0|1,0,1]=4 15999 B11R1.77 CC(=CC(=O)C1CCCC1)Cl 1458a_200042562850_100000179811 [0,1,0,1,0,0|1,0,1]=4 16000 B11R1.77 CC(=CC(=O)C1CCCC1)I 1458a_100025716642_100000179811 [0,1,0,1,0,0|1,0,1]=4 16001 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210554_100000179811 [0,1,0,1,0,0|1,0,0]=3 16002 B11R1.77 CC(C)CC(=O)C1CCCC1 1458a_100000210718_100000210624 [0,1,0,1,0,0|1,0,0]=3 16003 B11R1.77 CC(C)CC(=O)C1CCCS1 1458a_100012002731_100000210624 [0,1,0,1,0,0|2,0,0]=4 16004 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100000210554_100000690089 [0,1,0,1,0,0|2,0,0]=4 16005 B11R1.77 CC(C)CC(=O)C1CCOC1 1458a_100011219752_100000210624 [0,1,0,1,0,0|2,0,0]=4 16006 B11R1.77 CC(C)CC(=O)N1CCCC1 240690a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 16007 B11R1.77 CC(C)CC(=O)N1CCCC1 527a_100000188435_100000210554 [0,1,0,1,0,0|2,0,0]=4 16008 B11R1.77 CC(C)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210624 [0,1,0,1,0,0|2,0,0]=4 16009 B11R1.77 CC(C)NC(=O)C1CCCC1 11a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 16010 B11R1.77 CC(C)NC(=O)C1CCCC1 1626a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 16011 B11R1.77 CC(C)NC(=O)C1CCCC1 240690a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 16012 B11R1.77 CC(C)NC(=O)C1CCCC1 527a_100138425928_100000210718 [0,1,0,1,0,0|1,0,0]=3 16013 B11R1.77 CC(C)NC(=O)C1CCCS1 11a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 16014 B11R1.77 CC(C)NC(=O)C1CCCS1 1626a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 16015 B11R1.77 CC(C)NC(=O)C1CCCS1 240690a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 16016 B11R1.77 CC(C)NC(=O)C1CCCS1 527a_100138425928_100012002731 [0,1,0,1,0,0|2,0,0]=4 16017 B11R1.77 CC(C)NC(=O)C1CCOC1 11a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 16018 B11R1.77 CC(C)NC(=O)C1CCOC1 1626a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 16019 B11R1.77 CC(C)NC(=O)C1CCOC1 240690a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 16020 B11R1.77 CC(C)NC(=O)C1CCOC1 527a_100138425928_100011219752 [0,1,0,1,0,0|2,0,0]=4 16021 B11R1.77 CC(C)NC(=O)N1CCCC1 2708a_100138425928_100000188435 [0,1,0,1,0,0|2,0,0]=4 16022 B11R1.77 CC(C)NC(=O)N1CCCC1 273464a_100138425928_100000188435 [0,1,0,1,0,0|2,0,0]=4 16023 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 11a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 16024 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 1626a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 16025 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 240690a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 16026 B11R1.77 CC(C)NC(=O)[C@@H]1CCCO1 527a_100138425928_100000686382 [0,1,0,1,0,0|2,0,0]=4 16027 B11R1.77 CC(C)OC(C)C1CCCC1 34a_100011216366_100000210206 [0,1,0,1,0,0|1,0,1]=4 16028 B11R1.77 CC(C)OC(C)C1CCCC1 7a_100011216366_100000210206 [0,1,0,1,0,0|1,0,1]=4 16029 B11R1.77 CC(O)CC(=O)C1CCCC1 1458a_100000210718_100011218427 [0,1,0,1,0,0|1,0,0]=3 16030 B11R1.77 CC(O)CC(=O)C1CCCS1 1458a_100012002731_100011218427 [0,1,0,1,0,0|2,0,0]=4 16031 B11R1.77 CC(O)CC(=O)C1CCOC1 1458a_100011219752_100011218427 [0,1,0,1,0,0|2,0,0]=4 16032 B11R1.77 CC(O)CC(=O)[C@@H]1CCCO1 1458a_100000686382_100011218427 [0,1,0,1,0,0|2,0,0]=4 16033 B11R1.77 CN(C)CC(=O)C1CCCC1 1458a_100000750896_100000179811 [0,1,0,1,0,0|2,0,0]=4 16034 B11R1.77 C[C@@H](O)CC(=O)C1CCCC1 1458a_100011933948_100000179811 [0,1,0,1,0,0|1,0,0]=3 16035 B11R1.77 C[C@@H](O)CC(=O)C1CCOC1 1458a_100011933948_100000690089 [0,1,0,1,0,0|2,0,0]=4 16036 B11R1.77 C[C@@H](O)CC(=O)N1CCCC1 240690a_100000188435_100011933948 [0,1,0,1,0,0|2,0,0]=4 16037 B11R1.77 C[S+](C)CC(=O)C1CCCC1 1458a_200159257847_100000179811 [0,1,0,1,0,0|2,0,0]=4 16038 B11R1.77 O=C(CC(F)F)C1CCCC1 1458a_100000210718_100011934356 [0,1,0,1,0,0|2,0,0]=4 16039 B11R1.141 CC(C)CC(=O)N1CCC1C 11a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 16040 B11R1.141 CC(C)CC(=O)N1CCC1C 240690a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 16041 B11R1.141 CC(C)CC(=O)N1CCC1C 527a_100000755817_100000210554 [0,1,0,1,0,0|2,0,0]=4 16042 B11R1.141 CC(C)NC(=O)N1CCC1C 2708a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 16043 B11R1.141 CC(C)NC(=O)N1CCC1C 273464a_100138425928_100000755817 [0,1,0,1,0,0|2,0,0]=4 16044 B11R1.141 CC1CCN1C(=O)C[C@@H](C)O 240690a_100000755817_100011933948 [0,1,0,1,0,0|2,0,0]=4 16045 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 16046 B11R1.143 CN(C)C1CCCCCC1=O 269982a_100102631434_100000243696 [0,1,0,1,0,0|2,0,0]=4 16047 B11R1.257 C=C(C)CC(=O)C1CC1CC 1458a_200011661523_100000748629 [0,1,0,1,0,0|1,0,1]=4 16048 B11R1.257 CCC1CC1C(=O)CC(C)C 1458a_200011661523_100000210624 [0,1,0,1,0,0|1,0,0]=3 16049 B11R1.257 CCC1CC1C(=O)CC(C)O 1458a_200011661523_100011218427 [0,1,0,1,0,0|1,0,0]=3 16050 B11R1.257 CCC1CC1C(=O)CC(F)F 1458a_200011661523_100011934356 [0,1,0,1,0,0|2,0,0]=4 16051 B11R1.257 CCC1CC1C(=O)NC(C)C 11a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 16052 B11R1.257 CCC1CC1C(=O)NC(C)C 1626a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 16053 B11R1.257 CCC1CC1C(=O)NC(C)C 240690a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 16054 B11R1.257 CCC1CC1C(=O)NC(C)C 527a_100138425928_200011661523 [0,1,0,1,0,0|1,0,0]=3 16055 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000212188_100000742324 [0,1,0,1,0,0|1,0,0]=3 16056 B11R1.301 CCCCCC(=O)CC1CC1 1458a_100000738066_100000210326 [0,1,0,1,0,0|1,0,0]=3 16057 B11R1.301 CCCCCC(=O)CC1CO1 1458a_100000212188_100011216344 [0,1,0,1,0,0|1,0,0]=3 16058 B11R1.301 CCCCCC(=O)CC1CS1 1458a_100000212188_100000031435 [0,1,0,1,0,0|1,0,0]=3 16059 B11R1.301 CCCCCC(=O)C[C@@H]1CO1 1458a_100000212188_100000745022 [0,1,0,1,0,0|1,0,0]=3 16060 B11R1.301 CCCCCC(=O)NC1CC1 1626a_100000212008_100000212188 [0,1,0,1,0,0|1,0,0]=3 16061 B11R1.301 CCCCCC(=O)NC1CC1 240690a_100000212008_100000212188 [0,1,0,1,0,0|1,0,0]=3 16062 B11R1.301 CCCCCC(=O)NC1CC1 527a_100000212008_100000212188 [0,1,0,1,0,0|1,0,0]=3 16063 B11R1.301 CCCCCC(C)OC1CC1 34a_100011215632_100000211595 [0,1,0,1,0,0|1,0,1]=4 16064 B11R1.301 CCCCNC(=O)CC1CC1 11a_100000102301_100000738066 [0,1,0,1,0,0|2,0,0]=4 16065 B11R1.301 CCCCNC(=O)CC1CC1 1626a_100000102301_100000738066 [0,1,0,1,0,0|2,0,0]=4 16066 B11R1.301 CCCCNC(=O)CC1CC1 240690a_100000102301_100000738066 [0,1,0,1,0,0|2,0,0]=4 16067 B11R1.301 CCCCNC(=O)CC1CC1 527a_100000102301_100000738066 [0,1,0,1,0,0|2,0,0]=4 16068 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000102301_100000212008 [0,1,0,1,0,0|2,0,0]=4 16069 B11R1.301 CCCCNC(=O)NC1CC1 2708a_100000212008_100000102301 [0,1,0,1,0,0|2,0,0]=4 16070 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000102301_100000212008 [0,1,0,1,0,0|2,0,0]=4 16071 B11R1.301 CCCCNC(=O)NC1CC1 273464a_100000212008_100000102301 [0,1,0,1,0,0|2,0,0]=4 16072 B11R1.301 CCCCNC(=O)NC1CC1 512a_100000212008_100000102301 [0,1,0,1,0,0|2,0,0]=4 16073 B11R1.301 CCCNCC(=O)NC1CC1 2230a_100000702991_100000210303 [0,1,0,1,0,0|2,0,0]=4 16074 B11R1.301 CCCOCC(=O)CC1CC1 1458a_100000745993_100000742324 [0,1,0,1,0,0|2,0,0]=4 16075 B11R1.301 CCCOCC(=O)CC1CO1 1458a_100000745993_100011216344 [0,1,0,1,0,0|2,0,0]=4 16076 B11R1.301 CCCOCC(=O)CC1CS1 1458a_100000745993_100000031435 [0,1,0,1,0,0|2,0,0]=4 16077 B11R1.301 CCCOCC(=O)C[C@@H]1CO1 1458a_100000745993_100000745022 [0,1,0,1,0,0|2,0,0]=4 16078 B11R1.301 CCCOCC(=O)NC1CC1 1626a_100000212008_100000745993 [0,1,0,1,0,0|2,0,0]=4 16079 B11R1.301 CCCOCC(=O)NC1CC1 240690a_100000212008_100000745993 [0,1,0,1,0,0|2,0,0]=4 16080 B11R1.301 CCCOCC(=O)NC1CC1 34a_100000210258_100000182950 [0,1,0,1,0,0|2,0,0]=4 16081 B11R1.301 CCCOCC(=O)NC1CC1 527a_100000212008_100000745993 [0,1,0,1,0,0|2,0,0]=4 16082 B11R1.301 CCCSCC(=O)CC1CC1 1458a_100000217233_100000742324 [0,1,0,1,0,0|2,0,0]=4 16083 B11R1.301 CCCSCC(=O)CC1CO1 1458a_100000217233_100011216344 [0,1,0,1,0,0|2,0,0]=4 16084 B11R1.301 CCCSCC(=O)CC1CS1 1458a_100000217233_100000031435 [0,1,0,1,0,0|2,0,0]=4 16085 B11R1.301 CCCSCC(=O)C[C@@H]1CO1 1458a_100000217233_100000745022 [0,1,0,1,0,0|2,0,0]=4 16086 B11R1.301 CCCSCC(=O)NC1CC1 1626a_100000212008_100000217233 [0,1,0,1,0,0|2,0,0]=4 16087 B11R1.301 CCCSCC(=O)NC1CC1 240690a_100000212008_100000217233 [0,1,0,1,0,0|2,0,0]=4 16088 B11R1.301 CCCSCC(=O)NC1CC1 527a_100000212008_100000217233 [0,1,0,1,0,0|2,0,0]=4 16089 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000182950_100000210303 [0,1,0,1,0,0|2,0,0]=4 16090 B11R1.301 CCCSCC(=O)NC1CC1 62a_100000210303_100000182950 [0,1,0,1,0,0|2,0,0]=4 16091 B11R1.301 CCNCCC(=O)NC1CC1 2230a_100015525214_100000737409 [0,1,0,1,0,0|2,0,0]=4 16092 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000738066_100011215890 [0,1,0,1,0,0|2,0,0]=4 16093 B11R1.301 CCOCCC(=O)CC1CC1 1458a_100000749530_100000742324 [0,1,0,1,0,0|2,0,0]=4 16094 B11R1.301 CCOCCC(=O)CC1CO1 1458a_100000749530_100011216344 [0,1,0,1,0,0|2,0,0]=4 16095 B11R1.301 CCOCCC(=O)CC1CS1 1458a_100000749530_100000031435 [0,1,0,1,0,0|2,0,0]=4 16096 B11R1.301 CCOCCC(=O)C[C@@H]1CO1 1458a_100000749530_100000745022 [0,1,0,1,0,0|2,0,0]=4 16097 B11R1.301 CCOCCC(=O)NC1CC1 1626a_100000212008_100000749530 [0,1,0,1,0,0|2,0,0]=4 16098 B11R1.301 CCOCCC(=O)NC1CC1 240690a_100000212008_100000749530 [0,1,0,1,0,0|2,0,0]=4 16099 B11R1.301 CCOCCC(=O)NC1CC1 34a_100121572206_100000737409 [0,1,0,1,0,0|2,0,0]=4 16100 B11R1.301 CCOCCC(=O)NC1CC1 527a_100000212008_100000749530 [0,1,0,1,0,0|2,0,0]=4 16101 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000230768_100000742324 [0,1,0,1,0,0|2,0,0]=4 16102 B11R1.301 CCSCCC(=O)CC1CC1 1458a_100000738066_100000757381 [0,1,0,1,0,0|2,0,0]=4 16103 B11R1.301 CCSCCC(=O)CC1CO1 1458a_100000230768_100011216344 [0,1,0,1,0,0|2,0,0]=4 16104 B11R1.301 CCSCCC(=O)CC1CS1 1458a_100000230768_100000031435 [0,1,0,1,0,0|2,0,0]=4 16105 B11R1.301 CCSCCC(=O)C[C@@H]1CO1 1458a_100000230768_100000745022 [0,1,0,1,0,0|2,0,0]=4 16106 B11R1.301 CCSCCC(=O)NC1CC1 1626a_100000212008_100000230768 [0,1,0,1,0,0|2,0,0]=4 16107 B11R1.301 CCSCCC(=O)NC1CC1 240690a_100000212008_100000230768 [0,1,0,1,0,0|2,0,0]=4 16108 B11R1.301 CCSCCC(=O)NC1CC1 527a_100000212008_100000230768 [0,1,0,1,0,0|2,0,0]=4 16109 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000210202_100000737409 [0,1,0,1,0,0|2,0,0]=4 16110 B11R1.301 CCSCCC(=O)NC1CC1 62a_100000737409_100000210202 [0,1,0,1,0,0|2,0,0]=4 16111 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000738066_100000740836 [0,1,0,1,0,0|2,0,0]=4 16112 B11R1.301 COCCCC(=O)CC1CC1 1458a_100000741012_100000742324 [0,1,0,1,0,0|2,0,0]=4 16113 B11R1.301 COCCCC(=O)CC1CO1 1458a_100000741012_100011216344 [0,1,0,1,0,0|2,0,0]=4 16114 B11R1.301 COCCCC(=O)CC1CS1 1458a_100000741012_100000031435 [0,1,0,1,0,0|2,0,0]=4 16115 B11R1.301 COCCCC(=O)C[C@@H]1CO1 1458a_100000741012_100000745022 [0,1,0,1,0,0|2,0,0]=4 16116 B11R1.301 COCCCC(=O)NC1CC1 1626a_100000212008_100000741012 [0,1,0,1,0,0|2,0,0]=4 16117 B11R1.301 COCCCC(=O)NC1CC1 240690a_100000212008_100000741012 [0,1,0,1,0,0|2,0,0]=4 16118 B11R1.301 COCCCC(=O)NC1CC1 527a_100000212008_100000741012 [0,1,0,1,0,0|2,0,0]=4 16119 B11R1.301 CSCCCC(=O)CC1CC1 1458a_100000173376_100000742324 [0,1,0,1,0,0|2,0,0]=4 16120 B11R1.301 CSCCCC(=O)CC1CO1 1458a_100000173376_100011216344 [0,1,0,1,0,0|2,0,0]=4 16121 B11R1.301 CSCCCC(=O)CC1CS1 1458a_100000173376_100000031435 [0,1,0,1,0,0|2,0,0]=4 16122 B11R1.301 CSCCCC(=O)C[C@@H]1CO1 1458a_100000173376_100000745022 [0,1,0,1,0,0|2,0,0]=4 16123 B11R1.301 CSCCCC(=O)NC1CC1 1626a_100000212008_100000173376 [0,1,0,1,0,0|2,0,0]=4 16124 B11R1.301 CSCCCC(=O)NC1CC1 240690a_100000212008_100000173376 [0,1,0,1,0,0|2,0,0]=4 16125 B11R1.301 CSCCCC(=O)NC1CC1 527a_100000212008_100000173376 [0,1,0,1,0,0|2,0,0]=4 16126 B11R1.301 O=C(CCCCF)CC1CC1 1458a_100000738066_100000729493 [0,1,0,1,0,0|2,0,0]=4 16127 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000695505_100000742324 [0,1,0,1,0,0|2,0,0]=4 16128 B11R1.301 O=C(CCCCO)CC1CC1 1458a_100000738066_100000210776 [0,1,0,1,0,0|2,0,0]=4 16129 B11R1.301 O=C(CCCCO)CC1CO1 1458a_100000695505_100011216344 [0,1,0,1,0,0|2,0,0]=4 16130 B11R1.301 O=C(CCCCO)CC1CS1 1458a_100000695505_100000031435 [0,1,0,1,0,0|2,0,0]=4 16131 B11R1.301 O=C(CCCCO)C[C@@H]1CO1 1458a_100000695505_100000745022 [0,1,0,1,0,0|2,0,0]=4 16132 B11R1.301 O=C(CCCCO)NC1CC1 1626a_100000212008_100000695505 [0,1,0,1,0,0|2,0,0]=4 16133 B11R1.484 C=C(C)CC(=O)CC1CCC1 1458a_100000763092_100000748629 [0,1,0,1,0,0|1,0,1]=4 16134 B11R1.484 CC(=CC(=O)CC1CCC1)C 1458a_100000211388_100000763275 [0,1,0,1,0,0|1,0,1]=4 16135 B11R1.484 CC(=CC(=O)CC1CCC1)Cl 1458a_200042562850_100000763275 [0,1,0,1,0,0|1,0,1]=4 16136 B11R1.484 CC(=CC(=O)CC1CCC1)I 1458a_100025716642_100000763275 [0,1,0,1,0,0|1,0,1]=4 16137 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000210554_100000763275 [0,1,0,1,0,0|1,0,0]=3 16138 B11R1.484 CC(C)CC(=O)CC1CCC1 1458a_100000763092_100000210624 [0,1,0,1,0,0|1,0,0]=3 16139 B11R1.484 CC(C)CC(=O)CC1CCO1 1458a_100000210554_100000103362 [0,1,0,1,0,0|2,0,0]=4 16140 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000210554_100010264016 [0,1,0,1,0,0|2,0,0]=4 16141 B11R1.484 CC(C)CC(=O)CC1COC1 1458a_100000687760_100000210624 [0,1,0,1,0,0|2,0,0]=4 16142 B11R1.484 CC(C)CC(=O)NC1CCC1 11a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 16143 B11R1.484 CC(C)CC(=O)NC1CCC1 1626a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 16144 B11R1.484 CC(C)CC(=O)NC1CCC1 240690a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 16145 B11R1.484 CC(C)CC(=O)NC1CCC1 527a_100000749019_100000210554 [0,1,0,1,0,0|2,0,0]=4 16146 B11R1.484 CC(C)NC(=O)CC1CCC1 11a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 16147 B11R1.484 CC(C)NC(=O)CC1CCC1 1626a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 16148 B11R1.484 CC(C)NC(=O)CC1CCC1 240690a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 16149 B11R1.484 CC(C)NC(=O)CC1CCC1 527a_100138425928_100000763092 [0,1,0,1,0,0|1,0,0]=3 16150 B11R1.484 CC(C)NC(=O)CC1COC1 11a_100138425928_100000687760 [0,1,0,1,0,0|2,0,0]=4 16151 B11R1.484 CC(C)NC(=O)CC1COC1 1626a_100138425928_100000687760 [0,1,0,1,0,0|2,0,0]=4 16152 B11R1.484 CC(C)NC(=O)CN1CCC1 269982a_100000754969_100000183996 [0,1,0,1,0,0|2,0,0]=4 16153 B11R1.484 CC(C)NC(=O)NC1CCC1 2708a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 16154 B11R1.484 CC(C)NC(=O)NC1CCC1 273464a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 16155 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100000749019_100138425928 [0,1,0,1,0,0|2,0,0]=4 16156 B11R1.484 CC(C)NC(=O)NC1CCC1 512a_100138425928_100000749019 [0,1,0,1,0,0|2,0,0]=4 16157 B11R1.484 CC(C)OC(=O)CN1CCC1 269982a_100000754969_100011215430 [0,1,0,1,0,0|1,0,0]=3 16158 B11R1.484 CC(O)CC(=O)CC1CCC1 1458a_100000763092_100011218427 [0,1,0,1,0,0|1,0,0]=3 16159 B11R1.484 CC(O)CC(=O)CC1COC1 1458a_100000687760_100011218427 [0,1,0,1,0,0|2,0,0]=4 16160 B11R1.484 CN(C)CC(=O)CC1CCC1 1458a_100000750896_100000763275 [0,1,0,1,0,0|2,0,0]=4 16161 B11R1.484 C[C@@H](O)CC(=O)CC1CCC1 1458a_100011933948_100000763275 [0,1,0,1,0,0|1,0,0]=3 16162 B11R1.484 C[C@@H](O)CC(=O)CC1CCO1 1458a_100011933948_100000103362 [0,1,0,1,0,0|2,0,0]=4 16163 B11R1.484 C[C@@H](O)CC(=O)CC1COC1 1458a_100011933948_100010264016 [0,1,0,1,0,0|2,0,0]=4 16164 B11R1.484 C[C@@H](O)CC(=O)NC1CCC1 240690a_100000749019_100011933948 [0,1,0,1,0,0|2,0,0]=4 16165 B11R1.484 C[S+](C)CC(=O)CC1CCC1 1458a_200159257847_100000763275 [0,1,0,1,0,0|2,0,0]=4 16166 B11R1.484 O=C(CC(F)F)CC1CCC1 1458a_100000763092_100011934356 [0,1,0,1,0,0|2,0,0]=4 16167 B11R1.485 C=C(C)CC(=O)CCC1CC1 1458a_100000756386_100000748629 [0,1,0,1,0,0|1,0,1]=4 16168 B11R1.485 CC(=CC(=O)CCC1CC1)C 1458a_100000211388_100000694398 [0,1,0,1,0,0|1,0,1]=4 16169 B11R1.485 CC(=CC(=O)CCC1CC1)Cl 1458a_200042562850_100000694398 [0,1,0,1,0,0|1,0,1]=4 16170 B11R1.485 CC(=CC(=O)CCC1CC1)I 1458a_100025716642_100000694398 [0,1,0,1,0,0|1,0,1]=4 16171 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000210554_100000694398 [0,1,0,1,0,0|1,0,0]=3 16172 B11R1.485 CC(C)CC(=O)CCC1CC1 1458a_100000756386_100000210624 [0,1,0,1,0,0|1,0,0]=3 16173 B11R1.485 CC(C)CC(=O)CCC1CO1 1458a_100000210554_100000732470 [0,1,0,1,0,0|2,0,0]=4 16174 B11R1.485 CC(C)CC(=O)NCC1CC1 11a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 16175 B11R1.485 CC(C)CC(=O)NCC1CC1 1626a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 16176 B11R1.485 CC(C)CC(=O)NCC1CC1 240690a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 16177 B11R1.485 CC(C)CC(=O)NCC1CC1 527a_100000735609_100000210554 [0,1,0,1,0,0|2,0,0]=4 16178 B11R1.485 CC(C)NC(=O)CCC1CC1 11a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 16179 B11R1.485 CC(C)NC(=O)CCC1CC1 1626a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 16180 B11R1.485 CC(C)NC(=O)CCC1CC1 240690a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 16181 B11R1.485 CC(C)NC(=O)CCC1CC1 527a_100138425928_100000756386 [0,1,0,1,0,0|1,0,0]=3 16182 B11R1.485 CC(C)NC(=O)CNC1CC1 34a_100000212008_100000183996 [0,1,0,1,0,0|2,0,0]=4 16183 B11R1.485 CC(C)NC(=O)CSC1CC1 62a_100000183996_100000211595 [0,1,0,1,0,0|2,0,0]=4 16184 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100000735609_100138425928 [0,1,0,1,0,0|2,0,0]=4 16185 B11R1.485 CC(C)NC(=O)NCC1CC1 2708a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 16186 B11R1.485 CC(C)NC(=O)NCC1CC1 273464a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 16187 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100000735609_100138425928 [0,1,0,1,0,0|2,0,0]=4 16188 B11R1.485 CC(C)NC(=O)NCC1CC1 512a_100138425928_100000735609 [0,1,0,1,0,0|2,0,0]=4 16189 B11R1.485 CC(C)OC(=O)CNC1CC1 34a_100000212008_100011215430 [0,1,0,1,0,0|1,0,0]=3 16190 B11R1.485 CC(C)OC(=O)CSC1CC1 62a_100011215430_100000211595 [0,1,0,1,0,0|1,0,0]=3 16191 B11R1.485 CC(O)CC(=O)CCC1CC1 1458a_100000756386_100011218427 [0,1,0,1,0,0|1,0,0]=3 16192 B11R1.485 CN(C)CC(=O)CCC1CC1 1458a_100000750896_100000694398 [0,1,0,1,0,0|2,0,0]=4 16193 B11R1.485 C[C@@H](O)CC(=O)CCC1CC1 1458a_100011933948_100000694398 [0,1,0,1,0,0|1,0,0]=3 16194 B11R1.485 C[C@@H](O)CC(=O)CCC1CO1 1458a_100011933948_100000732470 [0,1,0,1,0,0|2,0,0]=4 16195 B11R1.485 C[C@@H](O)CC(=O)NCC1CC1 240690a_100000735609_100011933948 [0,1,0,1,0,0|2,0,0]=4 16196 B11R1.485 C[S+](C)CC(=O)CCC1CC1 1458a_200159257847_100000694398 [0,1,0,1,0,0|2,0,0]=4 16197 B11R1.485 O=C(CCC1CC1)CC(F)F 1458a_100000756386_100011934356 [0,1,0,1,0,0|2,0,0]=4 16198 B11R1.742 CC(C)OC1CCCCCC1 34a_100000210887_100000210206 [0,1,0,1,0,0|1,0,1]=4 16199 B11R1.742 CC(C)OC1CCCCCC1 34a_100000212225_100011217769 [0,1,0,1,0,0|1,0,1]=4 16200 B11R1.742 CC(C)OC1CCCCCC1 7a_100000210887_100000210206 [0,1,0,1,0,0|1,0,1]=4 16201 B11R1.928 CC(C)OC1(CCCCC1)C 34a_100011215885_100000210206 [0,1,0,1,0,0|1,0,1]=4 16202 B11R1.928 CC(C)OC1(CCCCC1)C 7a_100011215885_100000210206 [0,1,0,1,0,0|1,0,1]=4 16203 B11R1.1034 CC1CC1C(=O)CCCCF 1458a_100000211227_100000729493 [0,1,0,1,0,0|2,0,0]=4 16204 B11R1.1034 CC1CC1C(=O)CCCCO 1458a_100000211227_100000210776 [0,1,0,1,0,0|2,0,0]=4 16205 B11R1.1034 CCCCCC(=O)C1CC1C 1458a_100000211227_100000210326 [0,1,0,1,0,0|1,0,0]=3 16206 B11R1.1034 CCCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210326 [0,1,0,1,0,0|1,0,0]=3 16207 B11R1.1034 CCCCNC(=O)C1CC1C 11a_100000102301_100000211227 [0,1,0,1,0,0|2,0,0]=4 16208 B11R1.1034 CCCCNC(=O)C1CC1C 1626a_100000102301_100000211227 [0,1,0,1,0,0|2,0,0]=4 16209 B11R1.1034 CCCCNC(=O)C1CC1C 527a_100000102301_100000211227 [0,1,0,1,0,0|2,0,0]=4 16210 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 11a_100000102301_100015396687 [0,1,0,1,0,0|2,0,0]=4 16211 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 240690a_100000102301_100015396687 [0,1,0,1,0,0|2,0,0]=4 16212 B11R1.1034 CCCCNC(=O)[C@@H]1C[C@@H]1F 527a_100000102301_100015396687 [0,1,0,1,0,0|2,0,0]=4 16213 B11R1.1034 CCOCCC(=O)C1CC1C 1458a_100000211227_100011215890 [0,1,0,1,0,0|2,0,0]=4 16214 B11R1.1034 CCOCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100011215890 [0,1,0,1,0,0|2,0,0]=4 16215 B11R1.1034 CCSCCC(=O)C1CC1C 1458a_100000211227_100000757381 [0,1,0,1,0,0|2,0,0]=4 16216 B11R1.1034 CCSCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000757381 [0,1,0,1,0,0|2,0,0]=4 16217 B11R1.1034 COCCCC(=O)C1CC1C 1458a_100000211227_100000740836 [0,1,0,1,0,0|2,0,0]=4 16218 B11R1.1034 COCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000740836 [0,1,0,1,0,0|2,0,0]=4 16219 B11R1.1034 O=C(CCCCF)[C@@H]1C[C@@H]1F 1458a_100015396687_100000729493 [0,1,0,1,0,0|2,0,0]=4 16220 B11R1.1034 O=C(CCCCO)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210776 [0,1,0,1,0,0|2,0,0]=4 16221 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 16222 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|2,0,0]=4 16223 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 16224 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|0,1,0]=3 16225 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|0,1,0]=3 16226 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|1,1,0]=4 16227 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|1,1,0]=4 16228 B11R1.5 O=C1CCCCCC1SCF 62a_100000243696_100015361967 [0,1,0,1,0,0|1,1,0]=4 16229 B11R1.5 O=C1CCCCCC1SCF 62a_100015361967_100000243696 [0,1,0,1,0,0|1,1,0]=4 16230 B11R1.13 CCCN1CCNC(=O)C1C 2230a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 16231 B11R1.13 CCCN1CCNC(=O)C1C 269982a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 16232 B11R1.13 CCCN1CCNC(=O)C1C 34a_100000750721_100000210303 [0,1,0,1,0,0|2,0,0]=4 16233 B11R1.13 CCOC1CCCC(C1C)C 34a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 16234 B11R1.13 CCOC1CCCC(C1C)C 7a_100011217532_100000210202 [0,1,0,1,0,0|1,0,1]=4 16235 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 16236 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|2,0,0]=4 16237 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|2,0,0]=4 16238 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|2,0,0]=4 16239 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|2,0,0]=4 16240 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|2,0,0]=4 16241 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|2,0,0]=4 16242 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|2,0,0]=4 16243 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|2,0,0]=4 16244 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|2,0,0]=4 16245 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|2,0,0]=4 16246 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|2,0,0]=4 16247 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|2,0,0]=4 16248 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 16249 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|2,0,0]=4 16250 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 16251 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 16252 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000210718_100000753159 [0,1,0,1,0,0|1,0,1]=4 16253 B11R1.29 C#CCCC(=O)C1CCCC1 1458a_100000692101_100000179811 [0,1,0,1,0,0|1,0,1]=4 16254 B11R1.29 C#CCNC(=O)C1CCCC1 11a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 16255 B11R1.29 C#CCNC(=O)C1CCCC1 1626a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 16256 B11R1.29 C#CCNC(=O)C1CCCC1 240690a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 16257 B11R1.29 C#CCNC(=O)C1CCCC1 527a_100000212058_100000210718 [0,1,0,1,0,0|1,0,1]=4 16258 B11R1.29 C/C=C/CC(=O)C1CCCC1 1458a_100000210718_100102629194 [0,1,0,1,0,0|1,0,1]=4 16259 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000210718_100000754431 [0,1,0,1,0,0|1,0,1]=4 16260 B11R1.29 C=CCCC(=O)C1CCCC1 1458a_100000749702_100000179811 [0,1,0,1,0,0|1,0,1]=4 16261 B11R1.29 C=CCNC(=O)C1CCCC1 1626a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 16262 B11R1.29 C=CCNC(=O)C1CCCC1 240690a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 16263 B11R1.29 C=CCNC(=O)C1CCCC1 527a_100020586998_100000210718 [0,1,0,1,0,0|1,0,1]=4 16264 B11R1.29 CC#CCC(=O)C1CCCC1 1458a_100000210718_100000748600 [0,1,0,1,0,0|1,0,1]=4 16265 B11R1.29 CC(OCCF)C1CCCC1 34a_100011216366_100011217306 [0,1,0,1,0,0|1,0,1]=4 16266 B11R1.29 CC(OCCF)C1CCCC1 7a_100011216366_100011217306 [0,1,0,1,0,0|1,0,1]=4 16267 B11R1.29 CC(OCCO)C1CCCC1 34a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 16268 B11R1.29 CC(OCCO)C1CCCC1 7a_100011216366_100000211926 [0,1,0,1,0,0|1,0,1]=4 16269 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100000210718_100000070051 [0,1,0,1,0,0|1,0,1]=4 16270 B11R1.29 CC=CCC(=O)C1CCCC1 1458a_100121576822_100000179811 [0,1,0,1,0,0|1,0,1]=4 16271 B11R1.29 CC=NNC(=O)C1CCCC1 4a_100000189808_200000210099 [0,1,0,1,0,0|1,0,1]=4 16272 B11R1.29 CCC#CC(=O)C1CCCC1 1458a_100011827653_100000179811 [0,1,0,1,0,0|1,0,0]=3 16273 B11R1.29 CCC#CC(=O)C1CCOC1 1458a_100011827653_100000690089 [0,1,0,1,0,0|2,0,0]=4 16274 B11R1.29 CCC=CC(=O)C1CCCC1 1458a_100000212282_100000179811 [0,1,0,1,0,0|1,0,0]=3 16275 B11R1.29 CCC=CC(=O)C1CCOC1 1458a_100000212282_100000690089 [0,1,0,1,0,0|2,0,0]=4 16276 B11R1.29 CCC=CC(=O)N1CCCC1 240690a_100000188435_100000212282 [0,1,0,1,0,0|2,0,0]=4 16277 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210183_100000179811 [0,1,0,1,0,0|1,0,0]=3 16278 B11R1.29 CCCCC(=O)C1CCCC1 1458a_100000210718_100000210211 [0,1,0,1,0,0|1,0,0]=3 16279 B11R1.29 CCCCC(=O)C1CCCS1 1458a_100012002731_100000210211 [0,1,0,1,0,0|2,0,0]=4 16280 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100000210183_100000690089 [0,1,0,1,0,0|2,0,0]=4 16281 B11R1.29 CCCCC(=O)C1CCOC1 1458a_100011219752_100000210211 [0,1,0,1,0,0|2,0,0]=4 16282 B11R1.29 CCCCC(=O)N1CCCC1 240690a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 16283 B11R1.29 CCCCC(=O)N1CCCC1 527a_100000188435_100000210183 [0,1,0,1,0,0|2,0,0]=4 16284 B11R1.29 CCCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000210211 [0,1,0,1,0,0|2,0,0]=4 16285 B11R1.29 CCCNC(=O)C1CCCC1 11a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 16286 B11R1.29 CCCNC(=O)C1CCCC1 1626a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 16287 B11R1.29 CCCNC(=O)C1CCCC1 240690a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 16288 B11R1.29 CCCNC(=O)C1CCCC1 527a_100020643023_100000210718 [0,1,0,1,0,0|1,0,0]=3 16289 B11R1.29 CCCNC(=O)C1CCCS1 11a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 16290 B11R1.29 CCCNC(=O)C1CCCS1 1626a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 16291 B11R1.29 CCCNC(=O)C1CCCS1 240690a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 16292 B11R1.29 CCCNC(=O)C1CCCS1 527a_100020643023_100012002731 [0,1,0,1,0,0|2,0,0]=4 16293 B11R1.29 CCCNC(=O)C1CCOC1 11a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 16294 B11R1.29 CCCNC(=O)C1CCOC1 1626a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 16295 B11R1.29 CCCNC(=O)C1CCOC1 240690a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 16296 B11R1.29 CCCNC(=O)C1CCOC1 527a_100020643023_100011219752 [0,1,0,1,0,0|2,0,0]=4 16297 B11R1.29 CCCNC(=O)N1CCCC1 2708a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 16298 B11R1.29 CCCNC(=O)N1CCCC1 273464a_100020643023_100000188435 [0,1,0,1,0,0|2,0,0]=4 16299 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 11a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 16300 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 1626a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 16301 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 240690a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 16302 B11R1.29 CCCNC(=O)[C@@H]1CCCO1 527a_100020643023_100000686382 [0,1,0,1,0,0|2,0,0]=4 16303 B11R1.29 CCCOC(C)C1CCCC1 34a_100011216366_100000210303 [0,1,0,1,0,0|1,0,1]=4 16304 B11R1.29 CCCOC(C)C1CCCC1 7a_100011216366_100000210303 [0,1,0,1,0,0|1,0,1]=4 16305 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100000751844_100000210202 [0,1,0,1,0,0|2,0,0]=4 16306 B11R1.29 CCNCC(=O)N1CCCC1 2230a_100015525214_100000183516 [0,1,0,1,0,0|2,0,0]=4 16307 B11R1.29 CCNN=C(C)C1CCCC1 4a_100000756455_100000749594 [0,1,0,1,0,0|2,0,0]=4 16308 B11R1.29 CCNNC(=O)C1CCCC1 22a_100000756455_100000210718 [0,1,0,1,0,0|1,0,0]=3 16309 B11R1.29 CCNNC(=O)C1CCCS1 22a_100000756455_100012002731 [0,1,0,1,0,0|2,0,0]=4 16310 B11R1.29 CCNNC(=O)C1CCOC1 22a_100000756455_100011219752 [0,1,0,1,0,0|2,0,0]=4 16311 B11R1.29 CCNNC(=O)[C@@H]1CCCO1 22a_100000756455_100000686382 [0,1,0,1,0,0|2,0,0]=4 16312 B11R1.29 CCOCC(=O)C1CCCC1 1458a_100000211967_100000179811 [0,1,0,1,0,0|0,0,0]=2 16313 B11R1.29 CCOCC(=O)C1CCOC1 1458a_100000211967_100000690089 [0,1,0,1,0,0|1,0,0]=3 16314 B11R1.29 CCOCC(=O)N1CCCC1 240690a_100000188435_100000211967 [0,1,0,1,0,0|1,0,0]=3 16315 B11R1.29 CCOCC(=O)N1CCCC1 34a_100121572206_100000183516 [0,1,0,1,0,0|1,0,0]=3 16316 B11R1.29 CCOCC(=O)N1CCCC1 527a_100000188435_100000211967 [0,1,0,1,0,0|1,0,0]=3 16317 B11R1.29 CCOCC(=O)N1CCCC1 7a_200000752455_100000210202 [0,1,0,1,0,0|1,0,0]=3 16318 B11R1.29 CCOCC(=O)N1CCSC1 11a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 16319 B11R1.29 CCOCC(=O)N1CCSC1 240690a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 16320 B11R1.29 CCOCC(=O)N1CCSC1 527a_100011215254_100000211967 [0,1,0,1,0,0|2,0,0]=4 16321 B11R1.29 CCOCN(C)C1CCCC1 269982a_100000207505_100000739092 [0,1,0,1,0,0|2,0,0]=4 16322 B11R1.29 CCSCC(=O)C1CCCC1 1458a_100000230394_100000179811 [0,1,0,1,0,0|0,1,0]=3 16323 B11R1.29 CCSCC(=O)C1CCOC1 1458a_100000230394_100000690089 [0,1,0,1,0,0|1,1,0]=4 16324 B11R1.29 CCSCC(=O)N1CCCC1 240690a_100000188435_100000230394 [0,1,0,1,0,0|1,1,0]=4 16325 B11R1.29 CCSCC(=O)N1CCCC1 527a_100000188435_100000230394 [0,1,0,1,0,0|1,1,0]=4 16326 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000183516_100000210202 [0,1,0,1,0,0|1,1,0]=4 16327 B11R1.29 CCSCC(=O)N1CCCC1 62a_100000210202_100000183516 [0,1,0,1,0,0|1,1,0]=4 16328 B11R1.29 CNCCC(=O)N1CCCC1 2230a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 16329 B11R1.29 CNCCC(=O)N1CCCC1 34a_100102657272_100011194422 [0,1,0,1,0,0|2,0,0]=4 16330 B11R1.29 CNCCC(=O)N1CCCC1 7a_106832991635_100011194422 [0,1,0,1,0,0|2,0,0]=4 16331 B11R1.29 COC=CC(=O)C1CCCC1 1458a_100016268678_100000179811 [0,1,0,1,0,0|1,0,1]=4 16332 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000210718_100000233755 [0,1,0,1,0,0|1,0,0]=3 16333 B11R1.29 COCCC(=O)C1CCCC1 1458a_100000749529_100000179811 [0,1,0,1,0,0|1,0,0]=3 16334 B11R1.29 COCCC(=O)C1CCCS1 1458a_100012002731_100000233755 [0,1,0,1,0,0|2,0,0]=4 16335 B11R1.29 COCCC(=O)C1CCOC1 1458a_100000749529_100000690089 [0,1,0,1,0,0|2,0,0]=4 16336 B11R1.29 COCCC(=O)C1CCOC1 1458a_100011219752_100000233755 [0,1,0,1,0,0|2,0,0]=4 16337 B11R1.29 COCCC(=O)N1CCCC1 240690a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 16338 B11R1.29 COCCC(=O)N1CCCC1 34a_100138415774_100011194422 [0,1,0,1,0,0|2,0,0]=4 16339 B11R1.29 COCCC(=O)N1CCCC1 527a_100000188435_100000749529 [0,1,0,1,0,0|2,0,0]=4 16340 B11R1.29 COCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000233755 [0,1,0,1,0,0|2,0,0]=4 16341 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000174002_100000179811 [0,1,0,1,0,0|1,0,0]=3 16342 B11R1.29 CSCCC(=O)C1CCCC1 1458a_100000210718_100000751147 [0,1,0,1,0,0|1,0,0]=3 16343 B11R1.29 CSCCC(=O)C1CCCS1 1458a_100012002731_100000751147 [0,1,0,1,0,0|2,0,0]=4 16344 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100000174002_100000690089 [0,1,0,1,0,0|2,0,0]=4 16345 B11R1.29 CSCCC(=O)C1CCOC1 1458a_100011219752_100000751147 [0,1,0,1,0,0|2,0,0]=4 16346 B11R1.29 CSCCC(=O)N1CCCC1 240690a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 16347 B11R1.29 CSCCC(=O)N1CCCC1 527a_100000188435_100000174002 [0,1,0,1,0,0|2,0,0]=4 16348 B11R1.29 CSCCC(=O)N1CCCC1 62a_100011194422_200000210301 [0,1,0,1,0,0|2,0,0]=4 16349 B11R1.29 CSCCC(=O)N1CCCC1 62a_200000210301_100011194422 [0,1,0,1,0,0|2,0,0]=4 16350 B11R1.29 CSCCC(=O)[C@@H]1CCCO1 1458a_100000686382_100000751147 [0,1,0,1,0,0|2,0,0]=4 16351 B11R1.29 CSCOC(C)C1CCCC1 34a_100011216366_100011218213 [0,1,0,1,0,0|1,0,1]=4 16352 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100000210718_100011215226 [0,1,0,1,0,0|1,0,1]=4 16353 B11R1.29 N#CCCC(=O)C1CCCC1 1458a_100011934036_100000179811 [0,1,0,1,0,0|1,0,1]=4 16354 B11R1.29 N#CCNC(=O)C1CCCC1 1626a_100000734998_100000210718 [0,1,0,1,0,0|1,0,1]=4 16355 B11R1.29 N#CCNC(=O)C1CCCC1 527a_100000734998_100000210718 [0,1,0,1,0,0|1,0,1]=4 16356 B11R1.29 O=C(C#CCO)C1CCCC1 1458a_100000049017_100000179811 [0,1,0,1,0,0|1,0,1]=4 16357 B11R1.29 O=C(CCCF)C1CCCC1 1458a_100000210718_100011934791 [0,1,0,1,0,0|1,0,0]=3 16358 B11R1.29 O=C(CCCF)C1CCCS1 1458a_100012002731_100011934791 [0,1,0,1,0,0|2,0,0]=4 16359 B11R1.29 O=C(CCCF)C1CCOC1 1458a_100011219752_100011934791 [0,1,0,1,0,0|2,0,0]=4 16360 B11R1.29 O=C(CCCF)[C@@H]1CCCO1 1458a_100000686382_100011934791 [0,1,0,1,0,0|2,0,0]=4 16361 B11R1.29 O=C(CCCO)C1CCCC1 1458a_100000210718_100011215043 [0,1,0,1,0,0|1,0,0]=3 16362 B11R1.29 O=C(CCCO)C1CCCS1 1458a_100012002731_100011215043 [0,1,0,1,0,0|2,0,0]=4 16363 B11R1.29 O=C(CCCO)C1CCOC1 1458a_100011219752_100011215043 [0,1,0,1,0,0|2,0,0]=4 16364 B11R1.29 O=C(CCCO)[C@@H]1CCCO1 1458a_100000686382_100011215043 [0,1,0,1,0,0|2,0,0]=4 16365 B11R1.29 O=C(COCF)N1CCCC1 7a_200000752455_100015361967 [0,1,0,1,0,0|2,0,0]=4 16366 B11R1.29 O=C(NCCF)C1CCCC1 11a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 16367 B11R1.29 O=C(NCCF)C1CCCC1 1626a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 16368 B11R1.29 O=C(NCCF)C1CCCC1 240690a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 16369 B11R1.29 O=C(NCCF)C1CCCC1 527a_100000724931_100000210718 [0,1,0,1,0,0|1,0,0]=3 16370 B11R1.29 O=C(NCCF)C1CCCS1 11a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 16371 B11R1.29 O=C(NCCF)C1CCCS1 1626a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 16372 B11R1.29 O=C(NCCF)C1CCCS1 240690a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 16373 B11R1.29 O=C(NCCF)C1CCCS1 527a_100000724931_100012002731 [0,1,0,1,0,0|2,0,0]=4 16374 B11R1.29 O=C(NCCF)C1CCOC1 11a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 16375 B11R1.29 O=C(NCCF)C1CCOC1 1626a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 16376 B11R1.29 O=C(NCCF)C1CCOC1 240690a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 16377 B11R1.29 O=C(NCCF)C1CCOC1 527a_100000724931_100011219752 [0,1,0,1,0,0|2,0,0]=4 16378 B11R1.29 O=C(NCCF)N1CCCC1 273464a_100000724931_100000188435 [0,1,0,1,0,0|2,0,0]=4 16379 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 11a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 16380 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 1626a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 16381 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 240690a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 16382 B11R1.29 O=C(NCCF)[C@@H]1CCCO1 527a_100000724931_100000686382 [0,1,0,1,0,0|2,0,0]=4 16383 B11R1.29 O=C(NCCO)C1CCCC1 240690a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 16384 B11R1.29 O=C(NCCO)C1CCCC1 527a_100000210304_100000210718 [0,1,0,1,0,0|1,0,0]=3 16385 B11R1.29 O=C(NCCO)C1CCCS1 240690a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 16386 B11R1.29 O=C(NCCO)C1CCCS1 527a_100000210304_100012002731 [0,1,0,1,0,0|2,0,0]=4 16387 B11R1.29 O=C(NCCO)C1CCOC1 240690a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 16388 B11R1.29 O=C(NCCO)C1CCOC1 527a_100000210304_100011219752 [0,1,0,1,0,0|2,0,0]=4 16389 B11R1.29 O=C(NCCO)N1CCCC1 273464a_100000210304_100000188435 [0,1,0,1,0,0|2,0,0]=4 16390 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 240690a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 16391 B11R1.29 O=C(NCCO)[C@@H]1CCCO1 527a_100000210304_100000686382 [0,1,0,1,0,0|2,0,0]=4 16392 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_100011194422_200025704644 [0,1,0,1,0,0|2,0,0]=4 16393 B11R1.29 [13CH3]SCCC(=O)N1CCCC1 62a_200025704644_100011194422 [0,1,0,1,0,0|2,0,0]=4 16394 B11R1.182 CCOC1CC(CCC1C)C 34a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 16395 B11R1.182 CCOC1CC(CCC1C)C 7a_100011217446_100000210202 [0,1,0,1,0,0|1,0,1]=4 16396 B11R1.282 C#CCCC(=O)C1CC1CC 1458a_200011661523_100000753159 [0,1,0,1,0,0|1,0,1]=4 16397 B11R1.282 C#CCNC(=O)C1CC1CC 11a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 16398 B11R1.282 C#CCNC(=O)C1CC1CC 1626a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 16399 B11R1.282 C#CCNC(=O)C1CC1CC 240690a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 16400 B11R1.282 C#CCNC(=O)C1CC1CC 527a_100000212058_200011661523 [0,1,0,1,0,0|1,0,1]=4 16401 B11R1.282 C/C=C/CC(=O)C1CC1CC 1458a_200011661523_100102629194 [0,1,0,1,0,0|1,0,1]=4 16402 B11R1.282 C=CCCC(=O)C1CC1CC 1458a_200011661523_100000754431 [0,1,0,1,0,0|1,0,1]=4 16403 B11R1.282 C=CCNC(=O)C1CC1CC 1626a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 16404 B11R1.282 C=CCNC(=O)C1CC1CC 240690a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 16405 B11R1.282 C=CCNC(=O)C1CC1CC 527a_100020586998_200011661523 [0,1,0,1,0,0|1,0,1]=4 16406 B11R1.282 CC#CCC(=O)C1CC1CC 1458a_200011661523_100000748600 [0,1,0,1,0,0|1,0,1]=4 16407 B11R1.282 CC=CCC(=O)C1CC1CC 1458a_200011661523_100000070051 [0,1,0,1,0,0|1,0,1]=4 16408 B11R1.282 CCC1CC1C(=O)CCC#N 1458a_200011661523_100011215226 [0,1,0,1,0,0|1,0,1]=4 16409 B11R1.282 CCC1CC1C(=O)CCCF 1458a_200011661523_100011934791 [0,1,0,1,0,0|1,0,0]=3 16410 B11R1.282 CCC1CC1C(=O)CCCO 1458a_200011661523_100011215043 [0,1,0,1,0,0|1,0,0]=3 16411 B11R1.282 CCC1CC1C(=O)CCOC 1458a_200011661523_100000233755 [0,1,0,1,0,0|1,0,0]=3 16412 B11R1.282 CCC1CC1C(=O)CCSC 1458a_200011661523_100000751147 [0,1,0,1,0,0|1,0,0]=3 16413 B11R1.282 CCC1CC1C(=O)NCC#N 1626a_100000734998_200011661523 [0,1,0,1,0,0|1,0,1]=4 16414 B11R1.282 CCC1CC1C(=O)NCC#N 527a_100000734998_200011661523 [0,1,0,1,0,0|1,0,1]=4 16415 B11R1.282 CCC1CC1C(=O)NCCF 11a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 16416 B11R1.282 CCC1CC1C(=O)NCCF 1626a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 16417 B11R1.282 CCC1CC1C(=O)NCCF 240690a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 16418 B11R1.282 CCC1CC1C(=O)NCCF 527a_100000724931_200011661523 [0,1,0,1,0,0|1,0,0]=3 16419 B11R1.282 CCC1CC1C(=O)NCCO 240690a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 16420 B11R1.282 CCC1CC1C(=O)NCCO 527a_100000210304_200011661523 [0,1,0,1,0,0|1,0,0]=3 16421 B11R1.282 CCCCC(=O)C1CC1CC 1458a_200011661523_100000210211 [0,1,0,1,0,0|1,0,0]=3 16422 B11R1.282 CCCNC(=O)C1CC1CC 11a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 16423 B11R1.282 CCCNC(=O)C1CC1CC 1626a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 16424 B11R1.282 CCCNC(=O)C1CC1CC 240690a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 16425 B11R1.282 CCCNC(=O)C1CC1CC 527a_100020643023_200011661523 [0,1,0,1,0,0|1,0,0]=3 16426 B11R1.282 CCNNC(=O)C1CC1CC 22a_100000756455_200011661523 [0,1,0,1,0,0|1,0,0]=3 16427 B11R1.349 CCCC(=O)N(C)C1CCC1 11a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 16428 B11R1.349 CCCC(=O)N(C)C1CCC1 1626a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 16429 B11R1.349 CCCC(=O)N(C)C1CCC1 240690a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 16430 B11R1.349 CCCC(=O)N(C)C1CCC1 527a_100000758072_100000211992 [0,1,0,1,0,0|2,0,0]=4 16431 B11R1.349 CCNC(=O)C(=O)C1CCC1 1458a_200011297158_100000749161 [0,1,0,1,0,0|1,0,1]=4 16432 B11R1.349 CCNC(=O)C(C)N1CCC1 269982a_100000754969_100000230173 [0,1,0,1,0,0|2,0,0]=4 16433 B11R1.349 CCNC(=O)N(C)C1CCC1 2708a_100015525214_100000758072 [0,1,0,1,0,0|2,0,0]=4 16434 B11R1.349 CCNC(=O)N(C)C1CCC1 273464a_100015525214_100000758072 [0,1,0,1,0,0|2,0,0]=4 16435 B11R1.349 CCOC(=O)C(=O)N1CCC1 11a_100000754969_100014798877 [0,1,0,1,0,0|1,0,1]=4 16436 B11R1.349 CCOC(=O)C(=O)N1CCC1 240690a_100000754969_100014798877 [0,1,0,1,0,0|1,0,1]=4 16437 B11R1.349 CCOC(=O)C(C)N1CCC1 269982a_100000754969_100011216346 [0,1,0,1,0,0|1,0,0]=3 16438 B11R1.349 CCOC(=O)C(F)N1CCC1 269982a_100000754969_100000760018 [0,1,0,1,0,0|1,0,0]=3 16439 B11R1.351 CCCC(=O)N(C)CC1CC1 11a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 16440 B11R1.351 CCCC(=O)N(C)CC1CC1 1626a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 16441 B11R1.351 CCCC(=O)N(C)CC1CC1 240690a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 16442 B11R1.351 CCCC(=O)N(C)CC1CC1 527a_100000741881_100000211992 [0,1,0,1,0,0|2,0,0]=4 16443 B11R1.351 CCNC(=O)C(=O)CC1CC1 1458a_200011297158_100000742324 [0,1,0,1,0,0|1,0,1]=4 16444 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000212008_100000230173 [0,1,0,1,0,0|2,0,0]=4 16445 B11R1.351 CCNC(=O)C(C)NC1CC1 34a_100000736553_100000211595 [0,1,0,1,0,0|2,0,0]=4 16446 B11R1.351 CCNC(=O)C(C)SC1CC1 62a_100000230173_100000211595 [0,1,0,1,0,0|2,0,0]=4 16447 B11R1.351 CCNC(=O)N(C)CC1CC1 2708a_100015525214_100000741881 [0,1,0,1,0,0|2,0,0]=4 16448 B11R1.351 CCNC(=O)N(C)CC1CC1 273464a_100015525214_100000741881 [0,1,0,1,0,0|2,0,0]=4 16449 B11R1.351 CCOC(=O)C(=O)NC1CC1 1626a_100000212008_100014798877 [0,1,0,1,0,0|1,0,1]=4 16450 B11R1.351 CCOC(=O)C(=O)NC1CC1 240690a_100000212008_100014798877 [0,1,0,1,0,0|1,0,1]=4 16451 B11R1.351 CCOC(=O)C(C)NC1CC1 34a_100000212008_100011216346 [0,1,0,1,0,0|1,0,0]=3 16452 B11R1.351 CCOC(=O)C(C)SC1CC1 62a_100011216346_100000211595 [0,1,0,1,0,0|1,0,0]=3 16453 B11R1.351 CCOC(=O)C(F)NC1CC1 34a_100000212008_100000760018 [0,1,0,1,0,0|1,0,0]=3 16454 B11R1.351 CCOC(=O)C(F)SC1CC1 62a_100000760018_100000211595 [0,1,0,1,0,0|1,0,0]=3 16455 B11R1.526 CCCCC(C)C(=O)C1CC1 1458a_100000210395_200011215066 [0,1,0,1,0,0|1,0,0]=3 16456 B11R1.526 CCCCC(C)C(=O)C1CO1 1458a_100000701028_200011215066 [0,1,0,1,0,0|2,0,0]=4 16457 B11R1.526 CCCCN(C)C(=O)C1CC1 11a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 16458 B11R1.526 CCCCN(C)C(=O)C1CC1 1626a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 16459 B11R1.526 CCCCN(C)C(=O)C1CC1 240690a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 16460 B11R1.526 CCCCN(C)C(=O)C1CC1 527a_100000207549_100000210395 [0,1,0,1,0,0|2,0,0]=4 16461 B11R1.819 CC1(CCCC1)C(=O)CCF 1458a_100000239728_100011217306 [0,1,0,1,0,0|2,0,0]=4 16462 B11R1.819 CC1(CCCC1)C(=O)CCO 1458a_100000239728_100000211926 [0,1,0,1,0,0|2,0,0]=4 16463 B11R1.819 CCCC(=O)C1(CCCC1)C 1458a_100000239728_100000210303 [0,1,0,1,0,0|1,0,0]=3 16464 B11R1.819 CCCC(=O)C1(CCCC1)O 1458a_100000242637_100000210303 [0,1,0,1,0,0|1,0,0]=3 16465 B11R1.819 CCCC(=O)C1(CCCO1)C 1458a_100000684770_100000210303 [0,1,0,1,0,0|2,0,0]=4 16466 B11R1.819 CCNC(=O)C1(CCCC1)C 11a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 16467 B11R1.819 CCNC(=O)C1(CCCC1)C 240690a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 16468 B11R1.819 CCNC(=O)C1(CCCC1)C 527a_100015525214_100000239728 [0,1,0,1,0,0|1,0,0]=3 16469 B11R1.819 CCNC(=O)C1(CCCC1)O 240690a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 16470 B11R1.819 CCNC(=O)C1(CCCC1)O 527a_100015525214_100000242637 [0,1,0,1,0,0|1,0,0]=3 16471 B11R1.819 CCNC(=O)C1(CCCO1)C 11a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 16472 B11R1.819 CCNC(=O)C1(CCCO1)C 240690a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 16473 B11R1.819 CCNC(=O)C1(CCCO1)C 527a_100015525214_100000684770 [0,1,0,1,0,0|2,0,0]=4 16474 B11R1.819 CNNC(=O)C1(CCCC1)C 22a_100016993582_100000239728 [0,1,0,1,0,0|2,0,0]=4 16475 B11R1.819 CNNC(=O)C1(CCCC1)O 22a_100016993582_100000242637 [0,1,0,1,0,0|2,0,0]=4 16476 B11R1.819 O=C(CCF)C1(CCCC1)O 1458a_100000242637_100011217306 [0,1,0,1,0,0|2,0,0]=4 16477 B11R1.819 O=C(CCO)C1(CCCC1)O 1458a_100000242637_100000211926 [0,1,0,1,0,0|2,0,0]=4 16478 B11R1.822 CCCC(=O)C1CC(C1)CO 1458a_206645079618_100000210303 [0,1,0,1,0,0|2,0,0]=4 16479 B11R1.822 CCCC(=O)C1CC(C1)OC 1458a_100011999411_100000210303 [0,1,0,1,0,0|2,0,0]=4 16480 B11R1.822 CCCC(=O)N1CC(C1)CC 11a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 16481 B11R1.822 CCCC(=O)N1CC(C1)CC 1626a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 16482 B11R1.822 CCCC(=O)N1CC(C1)CC 240690a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 16483 B11R1.822 CCCC(=O)N1CC(C1)CC 527a_100015205115_100000211992 [0,1,0,1,0,0|2,0,0]=4 16484 B11R1.822 CCNC(=O)C1CC(C1)OC 11a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 16485 B11R1.822 CCNC(=O)C1CC(C1)OC 240690a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 16486 B11R1.822 CCNC(=O)C1CC(C1)OC 527a_100015525214_100011999411 [0,1,0,1,0,0|2,0,0]=4 16487 B11R1.822 CCNC(=O)N1CC(C1)CC 2708a_100015525214_100015205115 [0,1,0,1,0,0|2,0,0]=4 16488 B11R1.822 CCNC(=O)N1CC(C1)CC 273464a_100015525214_100015205115 [0,1,0,1,0,0|2,0,0]=4 16489 B11R1.822 CCOC(=O)C1CC(C1)OC 7a_100000093532_200000210301 [0,1,0,1,0,0|1,0,0]=3 16490 B11R1.822 CCOC(=O)C1CC(C1)O[13CH3] 7a_100000093532_200025704644 [0,1,0,1,0,0|1,0,0]=3 16491 B11R1.822 CCOC(=O)C1CN(C1)CC 269982a_100015188541_100000204670 [0,1,0,1,0,0|1,0,0]=3 16492 B11R1.822 CCOC(=O)C1CN(C1)CF 269982a_100015188541_100015361967 [0,1,0,1,0,0|2,0,0]=4 16493 B11R1.28 CCCCCN1CCCOC1 2230a_100000131196_100000210326 [0,1,0,1,0,0|2,0,0]=4 16494 B11R1.28 CCCCCN1CCCOC1 269982a_100000131196_100000210215 [0,1,0,1,0,0|2,0,0]=4 16495 B11R1.28 CCCCCN1CCCOC1 34a_100000131196_100000718602 [0,1,0,1,0,0|2,0,0]=4 16496 B11R1.83 CCOC1CCC(CC1)CC 34a_100011215326_100000210202 [0,1,0,1,0,0|1,0,1]=4 16497 B11R1.83 CCOC1CCC(CC1)CC 7a_100011215326_100000210202 [0,1,0,1,0,0|1,0,1]=4 16498 B11R1.1253 C#CC1(CCCCC1)OCC 34a_100011215672_100000210202 [0,1,0,1,0,0|1,0,1]=4 16499 B11R1.1253 C#CC1(CCCCC1)OCC 7a_100011215672_100000210202 [0,1,0,1,0,0|1,0,1]=4 16500 B11R1.1253 C=CC1(CCCCC1)OCC 34a_200011934219_100000210202 [0,1,0,1,0,0|1,0,1]=4 16501 B11R1.1253 C=CC1(CCCCC1)OCC 7a_200011934219_100000210202 [0,1,0,1,0,0|1,0,1]=4 16502 B11R1.1253 CCOC1(CCCCC1)CC 34a_100011216009_100000210202 [0,1,0,1,0,0|1,0,1]=4 16503 B11R1.1253 CCOC1(CCCCC1)CC 7a_100011216009_100000210202 [0,1,0,1,0,0|1,0,1]=4 16504 B11R1.1253 CCOC1(CCCCC1)CN 34a_100000748649_100000210202 [0,1,0,1,0,0|1,0,1]=4 16505 B11R1.23 CC(CO)N1CCOC(=O)C1 2230a_100000131268_100012180447 [0,1,0,1,0,0|2,0,0]=4 16506 B11R1.23 CCC(=O)C1CCNC(=O)C1 1458a_100000132800_100000210202 [0,1,0,1,0,0|1,0,1]=4 16507 B11R1.23 CCC(=O)N1CCOC(=O)C1 11a_100000131268_100000210414 [0,1,0,1,0,0|1,0,1]=4 16508 B11R1.23 CCC(=O)N1CCOC(=O)C1 240690a_100000131268_100000210414 [0,1,0,1,0,0|1,0,1]=4 16509 B11R1.23 CCC(=O)N1CCOC(=O)C1 527a_100000131268_100000210414 [0,1,0,1,0,0|1,0,1]=4 16510 B11R1.23 CCC(C)N1CCNC(=O)C1 2230a_100000184651_100000758301 [0,1,0,1,0,0|2,0,0]=4 16511 B11R1.23 CCC(C)N1CCOC(=O)C1 2230a_100000131268_100000758301 [0,1,0,1,0,0|1,0,0]=3 16512 B11R1.31 C/C=C(\C)/C(=O)C1CCCC1 1458a_100020587367_100000179811 [0,1,0,1,0,0|1,0,1]=4 16513 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100000210718_100000758301 [0,1,0,1,0,0|1,0,0]=3 16514 B11R1.31 CCC(C)C(=O)C1CCCC1 1458a_100011192722_100000179811 [0,1,0,1,0,0|1,0,0]=3 16515 B11R1.31 CCC(C)C(=O)C1CCCS1 1458a_100012002731_100000758301 [0,1,0,1,0,0|2,0,0]=4 16516 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011192722_100000690089 [0,1,0,1,0,0|2,0,0]=4 16517 B11R1.31 CCC(C)C(=O)C1CCOC1 1458a_100011219752_100000758301 [0,1,0,1,0,0|2,0,0]=4 16518 B11R1.31 CCC(C)C(=O)N1CCCC1 240690a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 16519 B11R1.31 CCC(C)C(=O)N1CCCC1 527a_100000188435_100011192722 [0,1,0,1,0,0|2,0,0]=4 16520 B11R1.31 CCC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000758301 [0,1,0,1,0,0|2,0,0]=4 16521 B11R1.31 CCC(O)C(=O)C1CCCC1 1458a_100011196387_100000179811 [0,1,0,1,0,0|1,0,0]=3 16522 B11R1.31 CCC(O)C(=O)C1CCOC1 1458a_100011196387_100000690089 [0,1,0,1,0,0|2,0,0]=4 16523 B11R1.31 CCC(O)C(=O)N1CCCC1 240690a_100000188435_100011196387 [0,1,0,1,0,0|2,0,0]=4 16524 B11R1.31 CCN(C)C(=O)C1CCCC1 11a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 16525 B11R1.31 CCN(C)C(=O)C1CCCC1 1626a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 16526 B11R1.31 CCN(C)C(=O)C1CCCC1 240690a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 16527 B11R1.31 CCN(C)C(=O)C1CCCC1 527a_100000225621_100000210718 [0,1,0,1,0,0|1,0,0]=3 16528 B11R1.31 CCN(C)C(=O)C1CCCS1 11a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 16529 B11R1.31 CCN(C)C(=O)C1CCCS1 1626a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 16530 B11R1.31 CCN(C)C(=O)C1CCCS1 240690a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 16531 B11R1.31 CCN(C)C(=O)C1CCCS1 527a_100000225621_100012002731 [0,1,0,1,0,0|2,0,0]=4 16532 B11R1.31 CCN(C)C(=O)C1CCOC1 11a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 16533 B11R1.31 CCN(C)C(=O)C1CCOC1 1626a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 16534 B11R1.31 CCN(C)C(=O)C1CCOC1 240690a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 16535 B11R1.31 CCN(C)C(=O)C1CCOC1 527a_100000225621_100011219752 [0,1,0,1,0,0|2,0,0]=4 16536 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 11a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 16537 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 1626a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 16538 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 240690a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 16539 B11R1.31 CCN(C)C(=O)[C@@H]1CCCO1 527a_100000225621_100000686382 [0,1,0,1,0,0|2,0,0]=4 16540 B11R1.31 CNC(=O)C(=O)C1CCCC1 1458a_100011218921_100000179811 [0,1,0,1,0,0|2,0,0]=4 16541 B11R1.31 COC(C)C(=O)C1CCCC1 1458a_100000743197_100000179811 [0,1,0,1,0,0|2,0,0]=4 16542 B11R1.31 CSC(C)C(=O)C1CCCC1 1458a_100000149566_100000179811 [0,1,0,1,0,0|2,0,0]=4 16543 B11R1.31 O=C(C(O)CO)C1CCCC1 1458a_100011215603_100000179811 [0,1,0,1,0,0|2,0,0]=4 16544 B11R1.192 CCCN1CCN(C(=O)C1)C 2230a_100000187256_100000210303 [0,1,0,1,0,0|2,0,0]=4 16545 B11R1.192 CCCN1CCN(C(=O)C1)C 269982a_100000187256_100000210303 [0,1,0,1,0,0|2,0,0]=4 16546 B11R1.192 CCNC1CCN(C(=O)C1)C 2230a_100000126938_100000210202 [0,1,0,1,0,0|2,0,0]=4 16547 B11R1.192 CCNC1CCN(C(=O)C1)C 34a_100000126938_100000210202 [0,1,0,1,0,0|2,0,0]=4 16548 B11R1.192 CCOC1CCC(C(C1)C)C 34a_100011215933_100000210202 [0,1,0,1,0,0|1,0,1]=4 16549 B11R1.192 CCOC1CCC(C(C1)C)C 7a_100011215933_100000210202 [0,1,0,1,0,0|1,0,1]=4 16550 B11R1.212 CCCOC1CCN(C1=O)C 34a_100000210258_100000755940 [0,1,0,1,0,0|2,0,0]=4 16551 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000210303_100000755940 [0,1,0,1,0,0|2,0,0]=4 16552 B11R1.212 CCCSC1CCN(C1=O)C 62a_100000755940_100000210303 [0,1,0,1,0,0|2,0,0]=4 16553 B11R1.212 CCOCC1CCN(C1=O)C 34a_100009823153_100000210202 [0,1,0,1,0,0|2,0,0]=4 16554 B11R1.240 CCC(C)C(=O)C1CC1CC 1458a_200011661523_100000758301 [0,1,0,1,0,0|1,0,0]=3 16555 B11R1.240 CCC1CC1C(=O)N(C)CC 11a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 16556 B11R1.240 CCC1CC1C(=O)N(C)CC 1626a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 16557 B11R1.240 CCC1CC1C(=O)N(C)CC 240690a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 16558 B11R1.240 CCC1CC1C(=O)N(C)CC 527a_100000225621_200011661523 [0,1,0,1,0,0|1,0,0]=3 16559 B11R1.293 C/C=C(\C)/C(=O)CC1CCC1 1458a_100020587367_100000763275 [0,1,0,1,0,0|1,0,1]=4 16560 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100000763092_100000758301 [0,1,0,1,0,0|1,0,0]=3 16561 B11R1.293 CCC(C)C(=O)CC1CCC1 1458a_100011192722_100000763275 [0,1,0,1,0,0|1,0,0]=3 16562 B11R1.293 CCC(C)C(=O)CC1CCO1 1458a_100011192722_100000103362 [0,1,0,1,0,0|2,0,0]=4 16563 B11R1.293 CCC(C)C(=O)CC1COC1 1458a_100000687760_100000758301 [0,1,0,1,0,0|2,0,0]=4 16564 B11R1.293 CCC(C)C(=O)CC1COC1 1458a_100011192722_100010264016 [0,1,0,1,0,0|2,0,0]=4 16565 B11R1.293 CCC(C)C(=O)NC1CCC1 11a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 16566 B11R1.293 CCC(C)C(=O)NC1CCC1 1626a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 16567 B11R1.293 CCC(C)C(=O)NC1CCC1 240690a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 16568 B11R1.293 CCC(C)C(=O)NC1CCC1 527a_100000749019_100011192722 [0,1,0,1,0,0|2,0,0]=4 16569 B11R1.293 CCC(O)C(=O)CC1CCC1 1458a_100011196387_100000763275 [0,1,0,1,0,0|1,0,0]=3 16570 B11R1.293 CCC(O)C(=O)CC1CCO1 1458a_100011196387_100000103362 [0,1,0,1,0,0|2,0,0]=4 16571 B11R1.293 CCC(O)C(=O)CC1COC1 1458a_100011196387_100010264016 [0,1,0,1,0,0|2,0,0]=4 16572 B11R1.293 CCC(O)C(=O)NC1CCC1 240690a_100000749019_100011196387 [0,1,0,1,0,0|2,0,0]=4 16573 B11R1.293 CCN(C)C(=O)CC1CCC1 11a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 16574 B11R1.293 CCN(C)C(=O)CC1CCC1 1626a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 16575 B11R1.293 CCN(C)C(=O)CC1CCC1 240690a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 16576 B11R1.293 CCN(C)C(=O)CC1CCC1 527a_100000225621_100000763092 [0,1,0,1,0,0|1,0,0]=3 16577 B11R1.293 CCN(C)C(=O)CC1COC1 11a_100000225621_100000687760 [0,1,0,1,0,0|2,0,0]=4 16578 B11R1.293 CCN(C)C(=O)CC1COC1 1626a_100000225621_100000687760 [0,1,0,1,0,0|2,0,0]=4 16579 B11R1.293 CCN(C)C(=O)CN1CCC1 269982a_100000754969_100000738999 [0,1,0,1,0,0|2,0,0]=4 16580 B11R1.293 CCN(C)C(=O)NC1CCC1 273464a_100000749019_100000225621 [0,1,0,1,0,0|2,0,0]=4 16581 B11R1.293 CNC(=O)C(=O)CC1CCC1 1458a_100011218921_100000763275 [0,1,0,1,0,0|2,0,0]=4 16582 B11R1.293 COC(C)C(=O)CC1CCC1 1458a_100000743197_100000763275 [0,1,0,1,0,0|2,0,0]=4 16583 B11R1.293 CSC(C)C(=O)CC1CCC1 1458a_100000149566_100000763275 [0,1,0,1,0,0|2,0,0]=4 16584 B11R1.293 O=C(CC1CCC1)C(O)CO 1458a_100011215603_100000763275 [0,1,0,1,0,0|2,0,0]=4 16585 B11R1.294 C/C=C(\C)/C(=O)CCC1CC1 1458a_100020587367_100000694398 [0,1,0,1,0,0|1,0,1]=4 16586 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100000756386_100000758301 [0,1,0,1,0,0|1,0,0]=3 16587 B11R1.294 CCC(C)C(=O)CCC1CC1 1458a_100011192722_100000694398 [0,1,0,1,0,0|1,0,0]=3 16588 B11R1.294 CCC(C)C(=O)CCC1CO1 1458a_100011192722_100000732470 [0,1,0,1,0,0|2,0,0]=4 16589 B11R1.294 CCC(C)C(=O)NCC1CC1 11a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 16590 B11R1.294 CCC(C)C(=O)NCC1CC1 1626a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 16591 B11R1.294 CCC(C)C(=O)NCC1CC1 240690a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 16592 B11R1.294 CCC(C)C(=O)NCC1CC1 527a_100000735609_100011192722 [0,1,0,1,0,0|2,0,0]=4 16593 B11R1.294 CCC(O)C(=O)CCC1CC1 1458a_100011196387_100000694398 [0,1,0,1,0,0|1,0,0]=3 16594 B11R1.294 CCC(O)C(=O)CCC1CO1 1458a_100011196387_100000732470 [0,1,0,1,0,0|2,0,0]=4 16595 B11R1.294 CCC(O)C(=O)NCC1CC1 240690a_100000735609_100011196387 [0,1,0,1,0,0|2,0,0]=4 16596 B11R1.294 CCN(C)C(=O)CCC1CC1 11a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 16597 B11R1.294 CCN(C)C(=O)CCC1CC1 1626a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 16598 B11R1.294 CCN(C)C(=O)CCC1CC1 240690a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 16599 B11R1.294 CCN(C)C(=O)CCC1CC1 527a_100000225621_100000756386 [0,1,0,1,0,0|1,0,0]=3 16600 B11R1.294 CCN(C)C(=O)CNC1CC1 34a_100000212008_100000738999 [0,1,0,1,0,0|2,0,0]=4 16601 B11R1.294 CCN(C)C(=O)CSC1CC1 62a_100000738999_100000211595 [0,1,0,1,0,0|2,0,0]=4 16602 B11R1.294 CCN(C)C(=O)NCC1CC1 2708a_100000735609_100000225621 [0,1,0,1,0,0|2,0,0]=4 16603 B11R1.294 CCN(C)C(=O)NCC1CC1 273464a_100000735609_100000225621 [0,1,0,1,0,0|2,0,0]=4 16604 B11R1.294 CNC(=O)C(=O)CCC1CC1 1458a_100011218921_100000694398 [0,1,0,1,0,0|2,0,0]=4 16605 B11R1.294 COC(C)C(=O)CCC1CC1 1458a_100000743197_100000694398 [0,1,0,1,0,0|2,0,0]=4 16606 B11R1.294 CSC(C)C(=O)CCC1CC1 1458a_100000149566_100000694398 [0,1,0,1,0,0|2,0,0]=4 16607 B11R1.294 O=C(CCC1CC1)C(O)CO 1458a_100011215603_100000694398 [0,1,0,1,0,0|2,0,0]=4 16608 B11R1.295 CCC(C)C(=O)N1CCC1C 11a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 16609 B11R1.295 CCC(C)C(=O)N1CCC1C 240690a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 16610 B11R1.295 CCC(C)C(=O)N1CCC1C 527a_100000755817_100011192722 [0,1,0,1,0,0|2,0,0]=4 16611 B11R1.295 CCC(O)C(=O)N1CCC1C 240690a_100000755817_100011196387 [0,1,0,1,0,0|2,0,0]=4 16612 B11R1.299 C#CCCCC(=O)C1CCO1 1458a_100000089072_100000731252 [0,1,0,1,0,0|0,0,2]=4 16613 B11R1.299 C=CCCCC(=O)C1CCO1 1458a_100000089072_100000757094 [0,1,0,1,0,0|0,0,2]=4 16614 B11R1.299 CC/C=C\CC(=O)C1CCO1 1458a_100000089072_100103147603 [0,1,0,1,0,0|0,0,2]=4 16615 B11R1.299 CCC#CCC(=O)C1CCO1 1458a_100000089072_100009813939 [0,1,0,1,0,0|0,0,2]=4 16616 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000209988_100000210326 [0,1,0,1,0,0|1,0,0]=3 16617 B11R1.299 CCCCCC(=O)C1CCC1 1458a_100000212188_100000749161 [0,1,0,1,0,0|1,0,0]=3 16618 B11R1.299 CCCCCC(=O)C1CCO1 1458a_100000089072_100000210326 [0,1,0,1,0,0|0,0,0]=2 16619 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000212188_100000687716 [0,1,0,1,0,0|1,0,0]=3 16620 B11R1.299 CCCCCC(=O)C1COC1 1458a_100000758290_100000210326 [0,1,0,1,0,0|1,0,0]=3 16621 B11R1.299 CCCCCC(=O)N1CCC1 11a_100000754969_100000212188 [0,1,0,1,0,0|1,0,0]=3 16622 B11R1.299 CCCCCC(=O)N1CCC1 240690a_100000754969_100000212188 [0,1,0,1,0,0|1,0,0]=3 16623 B11R1.299 CCCCCC(=O)N1CCC1 527a_100000754969_100000212188 [0,1,0,1,0,0|1,0,0]=3 16624 B11R1.299 CCCCNC(=O)C1CCC1 11a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 16625 B11R1.299 CCCCNC(=O)C1CCC1 1626a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 16626 B11R1.299 CCCCNC(=O)C1CCC1 240690a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 16627 B11R1.299 CCCCNC(=O)C1CCC1 527a_100000102301_100000209988 [0,1,0,1,0,0|2,0,0]=4 16628 B11R1.299 CCCCNC(=O)C1CCO1 11a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 16629 B11R1.299 CCCCNC(=O)C1CCO1 1626a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 16630 B11R1.299 CCCCNC(=O)C1CCO1 240690a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 16631 B11R1.299 CCCCNC(=O)C1CCO1 527a_100000102301_100000089072 [0,1,0,1,0,0|1,0,0]=3 16632 B11R1.299 CCCCNC(=O)C1COC1 11a_100000102301_100000758290 [0,1,0,1,0,0|2,0,0]=4 16633 B11R1.299 CCCCNC(=O)C1COC1 1626a_100000102301_100000758290 [0,1,0,1,0,0|2,0,0]=4 16634 B11R1.299 CCCCNC(=O)C1COC1 240690a_100000102301_100000758290 [0,1,0,1,0,0|2,0,0]=4 16635 B11R1.299 CCCCNC(=O)C1COC1 527a_100000102301_100000758290 [0,1,0,1,0,0|2,0,0]=4 16636 B11R1.299 CCCCNC(=O)N1CCC1 2708a_100000102301_100000754969 [0,1,0,1,0,0|2,0,0]=4 16637 B11R1.299 CCCCNC(=O)N1CCC1 273464a_100000102301_100000754969 [0,1,0,1,0,0|2,0,0]=4 16638 B11R1.299 CCCNNC(=O)C1CCO1 22a_100000740057_100000089072 [0,1,0,1,0,0|2,0,0]=4 16639 B11R1.299 CCCOCC(=O)C1CCC1 1458a_100000745993_100000749161 [0,1,0,1,0,0|2,0,0]=4 16640 B11R1.299 CCCOCC(=O)C1CCC1 34a_100000210258_100000686122 [0,1,0,1,0,0|2,0,0]=4 16641 B11R1.299 CCCOCC(=O)C1COC1 1458a_100000745993_100000687716 [0,1,0,1,0,0|2,0,0]=4 16642 B11R1.299 CCCOCC(=O)N1CCC1 11a_100000754969_100000745993 [0,1,0,1,0,0|2,0,0]=4 16643 B11R1.299 CCCOCC(=O)N1CCC1 240690a_100000754969_100000745993 [0,1,0,1,0,0|2,0,0]=4 16644 B11R1.299 CCCOCC(=O)N1CCC1 34a_100000210258_100000185095 [0,1,0,1,0,0|2,0,0]=4 16645 B11R1.299 CCCOCC(=O)N1CCC1 527a_100000754969_100000745993 [0,1,0,1,0,0|2,0,0]=4 16646 B11R1.299 CCCSCC(=O)C1CCC1 1458a_100000217233_100000749161 [0,1,0,1,0,0|2,0,0]=4 16647 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000210303_100000686122 [0,1,0,1,0,0|2,0,0]=4 16648 B11R1.299 CCCSCC(=O)C1CCC1 62a_100000686122_100000210303 [0,1,0,1,0,0|2,0,0]=4 16649 B11R1.299 CCCSCC(=O)C1COC1 1458a_100000217233_100000687716 [0,1,0,1,0,0|2,0,0]=4 16650 B11R1.299 CCCSCC(=O)N1CCC1 11a_100000754969_100000217233 [0,1,0,1,0,0|2,0,0]=4 16651 B11R1.299 CCCSCC(=O)N1CCC1 240690a_100000754969_100000217233 [0,1,0,1,0,0|2,0,0]=4 16652 B11R1.299 CCCSCC(=O)N1CCC1 527a_100000754969_100000217233 [0,1,0,1,0,0|2,0,0]=4 16653 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000185095_100000210303 [0,1,0,1,0,0|2,0,0]=4 16654 B11R1.299 CCCSCC(=O)N1CCC1 62a_100000210303_100000185095 [0,1,0,1,0,0|2,0,0]=4 16655 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000209988_100011215890 [0,1,0,1,0,0|2,0,0]=4 16656 B11R1.299 CCOCCC(=O)C1CCC1 1458a_100000749530_100000749161 [0,1,0,1,0,0|2,0,0]=4 16657 B11R1.299 CCOCCC(=O)C1CCO1 1458a_100000089072_100011215890 [0,1,0,1,0,0|1,0,0]=3 16658 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000749530_100000687716 [0,1,0,1,0,0|2,0,0]=4 16659 B11R1.299 CCOCCC(=O)C1COC1 1458a_100000758290_100011215890 [0,1,0,1,0,0|2,0,0]=4 16660 B11R1.299 CCOCCC(=O)N1CCC1 11a_100000754969_100000749530 [0,1,0,1,0,0|2,0,0]=4 16661 B11R1.299 CCOCCC(=O)N1CCC1 240690a_100000754969_100000749530 [0,1,0,1,0,0|2,0,0]=4 16662 B11R1.299 CCOCCC(=O)N1CCC1 527a_100000754969_100000749530 [0,1,0,1,0,0|2,0,0]=4 16663 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000209988_100000757381 [0,1,0,1,0,0|2,0,0]=4 16664 B11R1.299 CCSCCC(=O)C1CCC1 1458a_100000230768_100000749161 [0,1,0,1,0,0|2,0,0]=4 16665 B11R1.299 CCSCCC(=O)C1CCO1 1458a_100000089072_100000757381 [0,1,0,1,0,0|1,0,0]=3 16666 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000230768_100000687716 [0,1,0,1,0,0|2,0,0]=4 16667 B11R1.299 CCSCCC(=O)C1COC1 1458a_100000758290_100000757381 [0,1,0,1,0,0|2,0,0]=4 16668 B11R1.299 CCSCCC(=O)N1CCC1 11a_100000754969_100000230768 [0,1,0,1,0,0|2,0,0]=4 16669 B11R1.299 CCSCCC(=O)N1CCC1 240690a_100000754969_100000230768 [0,1,0,1,0,0|2,0,0]=4 16670 B11R1.299 CCSCCC(=O)N1CCC1 527a_100000754969_100000230768 [0,1,0,1,0,0|2,0,0]=4 16671 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000209988_100000740836 [0,1,0,1,0,0|2,0,0]=4 16672 B11R1.299 COCCCC(=O)C1CCC1 1458a_100000741012_100000749161 [0,1,0,1,0,0|2,0,0]=4 16673 B11R1.299 COCCCC(=O)C1CCO1 1458a_100000089072_100000740836 [0,1,0,1,0,0|1,0,0]=3 16674 B11R1.299 COCCCC(=O)C1COC1 1458a_100000741012_100000687716 [0,1,0,1,0,0|2,0,0]=4 16675 B11R1.299 COCCCC(=O)C1COC1 1458a_100000758290_100000740836 [0,1,0,1,0,0|2,0,0]=4 16676 B11R1.299 COCCCC(=O)N1CCC1 11a_100000754969_100000741012 [0,1,0,1,0,0|2,0,0]=4 16677 B11R1.299 COCCCC(=O)N1CCC1 240690a_100000754969_100000741012 [0,1,0,1,0,0|2,0,0]=4 16678 B11R1.299 COCCCC(=O)N1CCC1 527a_100000754969_100000741012 [0,1,0,1,0,0|2,0,0]=4 16679 B11R1.299 COCCNC(=O)C1CCO1 1626a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 16680 B11R1.299 COCCNC(=O)C1CCO1 240690a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 16681 B11R1.299 COCCNC(=O)C1CCO1 527a_100000209980_100000089072 [0,1,0,1,0,0|2,0,0]=4 16682 B11R1.299 CSCCCC(=O)C1CCC1 1458a_100000173376_100000749161 [0,1,0,1,0,0|2,0,0]=4 16683 B11R1.299 CSCCCC(=O)C1COC1 1458a_100000173376_100000687716 [0,1,0,1,0,0|2,0,0]=4 16684 B11R1.299 CSCCCC(=O)N1CCC1 11a_100000754969_100000173376 [0,1,0,1,0,0|2,0,0]=4 16685 B11R1.299 CSCCCC(=O)N1CCC1 240690a_100000754969_100000173376 [0,1,0,1,0,0|2,0,0]=4 16686 B11R1.299 CSCCCC(=O)N1CCC1 527a_100000754969_100000173376 [0,1,0,1,0,0|2,0,0]=4 16687 B11R1.299 CSCCNC(=O)C1CCO1 11a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 16688 B11R1.299 CSCCNC(=O)C1CCO1 1626a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 16689 B11R1.299 CSCCNC(=O)C1CCO1 240690a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 16690 B11R1.299 CSCCNC(=O)C1CCO1 527a_100020590264_100000089072 [0,1,0,1,0,0|2,0,0]=4 16691 B11R1.299 N#CCCCC(=O)C1CCO1 1458a_100000089072_100000211468 [0,1,0,1,0,0|1,0,1]=4 16692 B11R1.299 O=C(CCCCF)C1CCC1 1458a_100000209988_100000729493 [0,1,0,1,0,0|2,0,0]=4 16693 B11R1.299 O=C(CCCCF)C1CCO1 1458a_100000089072_100000729493 [0,1,0,1,0,0|1,0,0]=3 16694 B11R1.299 O=C(CCCCF)C1COC1 1458a_100000758290_100000729493 [0,1,0,1,0,0|2,0,0]=4 16695 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000209988_100000210776 [0,1,0,1,0,0|2,0,0]=4 16696 B11R1.299 O=C(CCCCO)C1CCC1 1458a_100000695505_100000749161 [0,1,0,1,0,0|2,0,0]=4 16697 B11R1.299 O=C(CCCCO)C1CCO1 1458a_100000089072_100000210776 [0,1,0,1,0,0|1,0,0]=3 16698 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000695505_100000687716 [0,1,0,1,0,0|2,0,0]=4 16699 B11R1.299 O=C(CCCCO)C1COC1 1458a_100000758290_100000210776 [0,1,0,1,0,0|2,0,0]=4 16700 B11R1.299 O=C(NCCCF)C1CCO1 11a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 16701 B11R1.299 O=C(NCCCF)C1CCO1 1626a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 16702 B11R1.299 O=C(NCCCF)C1CCO1 240690a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 16703 B11R1.299 O=C(NCCCF)C1CCO1 527a_100015189416_100000089072 [0,1,0,1,0,0|2,0,0]=4 16704 B11R1.299 O=C(NCCCO)C1CCO1 240690a_100000182051_100000089072 [0,1,0,1,0,0|2,0,0]=4 16705 B11R1.299 O=C(NCCCO)C1CCO1 527a_100000182051_100000089072 [0,1,0,1,0,0|2,0,0]=4 16706 B11R1.300 CC1(CC1)C(=O)CCCCF 1458a_100000756474_100000729493 [0,1,0,1,0,0|2,0,0]=4 16707 B11R1.300 CC1(CC1)C(=O)CCCCO 1458a_100000756474_100000210776 [0,1,0,1,0,0|2,0,0]=4 16708 B11R1.300 CCCCCC(=O)C1(CC1)C 1458a_100000756474_100000210326 [0,1,0,1,0,0|1,0,0]=3 16709 B11R1.300 CCCCCC(=O)C1(CC1)F 1458a_100000055089_100000210326 [0,1,0,1,0,0|1,0,0]=3 16710 B11R1.300 CCCCCC(=O)C1(CC1)O 1458a_100000241761_100000210326 [0,1,0,1,0,0|1,0,0]=3 16711 B11R1.300 CCCCNC(=O)C1(CC1)C 11a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 16712 B11R1.300 CCCCNC(=O)C1(CC1)C 1626a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 16713 B11R1.300 CCCCNC(=O)C1(CC1)C 240690a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 16714 B11R1.300 CCCCNC(=O)C1(CC1)C 527a_100000102301_100000756474 [0,1,0,1,0,0|2,0,0]=4 16715 B11R1.300 CCCCNC(=O)C1(CC1)F 11a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 16716 B11R1.300 CCCCNC(=O)C1(CC1)F 1626a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 16717 B11R1.300 CCCCNC(=O)C1(CC1)F 240690a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 16718 B11R1.300 CCCCNC(=O)C1(CC1)F 527a_100000102301_100000055089 [0,1,0,1,0,0|2,0,0]=4 16719 B11R1.300 CCCCNC(=O)C1(CC1)O 240690a_100000102301_100000241761 [0,1,0,1,0,0|2,0,0]=4 16720 B11R1.300 CCOCCC(=O)C1(CC1)C 1458a_100000756474_100011215890 [0,1,0,1,0,0|2,0,0]=4 16721 B11R1.300 CCOCCC(=O)C1(CC1)F 1458a_100000055089_100011215890 [0,1,0,1,0,0|2,0,0]=4 16722 B11R1.300 CCOCCC(=O)C1(CC1)O 1458a_100000241761_100011215890 [0,1,0,1,0,0|2,0,0]=4 16723 B11R1.300 CCSCCC(=O)C1(CC1)C 1458a_100000756474_100000757381 [0,1,0,1,0,0|2,0,0]=4 16724 B11R1.300 CCSCCC(=O)C1(CC1)F 1458a_100000055089_100000757381 [0,1,0,1,0,0|2,0,0]=4 16725 B11R1.300 CCSCCC(=O)C1(CC1)O 1458a_100000241761_100000757381 [0,1,0,1,0,0|2,0,0]=4 16726 B11R1.300 COCCCC(=O)C1(CC1)C 1458a_100000756474_100000740836 [0,1,0,1,0,0|2,0,0]=4 16727 B11R1.300 COCCCC(=O)C1(CC1)F 1458a_100000055089_100000740836 [0,1,0,1,0,0|2,0,0]=4 16728 B11R1.300 COCCCC(=O)C1(CC1)O 1458a_100000241761_100000740836 [0,1,0,1,0,0|2,0,0]=4 16729 B11R1.300 O=C(CCCCF)C1(CC1)F 1458a_100000055089_100000729493 [0,1,0,1,0,0|2,0,0]=4 16730 B11R1.300 O=C(CCCCF)C1(CC1)O 1458a_100000241761_100000729493 [0,1,0,1,0,0|2,0,0]=4 16731 B11R1.300 O=C(CCCCO)C1(CC1)F 1458a_100000055089_100000210776 [0,1,0,1,0,0|2,0,0]=4 16732 B11R1.300 O=C(CCCCO)C1(CC1)O 1458a_100000241761_100000210776 [0,1,0,1,0,0|2,0,0]=4 16733 B11R1.958 CCN1CCC(=O)N(CC1)C 2230a_100020591582_100000210202 [0,1,0,1,0,0|2,0,0]=4 16734 B11R1.958 CCN1CCC(=O)N(CC1)C 269982a_100020591582_100000204670 [0,1,0,1,0,0|2,0,0]=4 16735 B11R1.958 CCN1CCC(=O)N(CC1)C 34a_100020591582_100000210202 [0,1,0,1,0,0|2,0,0]=4 16736 B11R1.203 BrCCOC1CCCCCC1 34a_100000211926_100011217769 [0,1,0,1,0,0|1,0,1]=4 16737 B11R1.203 CCCOC1CCCCCC1 34a_100000210258_100011217769 [0,1,0,1,0,0|1,0,1]=4 16738 B11R1.203 CCCOC1CCCCCC1 34a_100000210887_100000210303 [0,1,0,1,0,0|1,0,1]=4 16739 B11R1.203 CCCOC1CCCCCC1 7a_100000210887_100000210303 [0,1,0,1,0,0|1,0,1]=4 16740 B11R1.203 CCNN=C1CCCCCC1 4a_100000756455_100000210131 [0,1,0,1,0,0|2,0,0]=4 16741 B11R1.203 CCOCC1CCCCCC1 34a_100000699130_100000210202 [0,1,0,1,0,0|1,0,1]=4 16742 B11R1.203 CCOCC1CCCCCC1 34a_100121572206_200000696569 [0,1,0,1,0,0|1,0,1]=4 16743 B11R1.203 CCOCC1CCCCCC1 7a_100000699130_100000210202 [0,1,0,1,0,0|1,0,1]=4 16744 B11R1.203 CCOCN1CCCCCC1 269982a_100000185865_100000739092 [0,1,0,1,0,0|2,0,0]=4 16745 B11R1.203 CSCOC1CCCCCC1 34a_100000210887_100011218213 [0,1,0,1,0,0|1,0,1]=4 16746 B11R1.203 FCCOC1CCCCCC1 34a_100000210887_100011217306 [0,1,0,1,0,0|1,0,1]=4 16747 B11R1.203 FCCOC1CCCCCC1 7a_100000210887_100011217306 [0,1,0,1,0,0|1,0,1]=4 16748 B11R1.203 NCCOC1CCCCCC1 34a_100000210304_100011217769 [0,1,0,1,0,0|1,0,1]=4 16749 B11R1.203 OCCOC1CCCCCC1 34a_100000210887_100000211926 [0,1,0,1,0,0|1,0,1]=4 16750 B11R1.203 OCCOC1CCCCCC1 7a_100000210887_100000211926 [0,1,0,1,0,0|1,0,1]=4 16751 B11R1.214 CCNN=C1CCC(C1)CC 4a_100000756455_100011218773 [0,1,0,1,0,0|2,0,0]=4 16752 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 16753 B11R1.283 CCOCC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100000211967 [0,1,0,1,0,0|2,0,0]=4 16754 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 16755 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 16756 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 16757 B11R1.283 CCOCC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100000211967 [0,1,0,1,0,0|2,0,0]=4 16758 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000692101_100000763275 [0,1,0,1,0,0|1,0,1]=4 16759 B11R1.284 C#CCCC(=O)CC1CCC1 1458a_100000763092_100000753159 [0,1,0,1,0,0|1,0,1]=4 16760 B11R1.284 C#CCNC(=O)CC1CCC1 11a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 16761 B11R1.284 C#CCNC(=O)CC1CCC1 1626a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 16762 B11R1.284 C#CCNC(=O)CC1CCC1 240690a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 16763 B11R1.284 C#CCNC(=O)CC1CCC1 527a_100000212058_100000763092 [0,1,0,1,0,0|1,0,1]=4 16764 B11R1.284 C/C=C/CC(=O)CC1CCC1 1458a_100000763092_100102629194 [0,1,0,1,0,0|1,0,1]=4 16765 B11R1.284 C=C(CN1CCC1)OCOC 269982a_100000754969_100000042856 [0,1,0,1,0,0|2,0,0]=4 16766 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000749702_100000763275 [0,1,0,1,0,0|1,0,1]=4 16767 B11R1.284 C=CCCC(=O)CC1CCC1 1458a_100000763092_100000754431 [0,1,0,1,0,0|1,0,1]=4 16768 B11R1.284 C=CCNC(=O)CC1CCC1 1626a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 16769 B11R1.284 C=CCNC(=O)CC1CCC1 240690a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 16770 B11R1.284 C=CCNC(=O)CC1CCC1 527a_100020586998_100000763092 [0,1,0,1,0,0|1,0,1]=4 16771 B11R1.284 C=CCOC(=O)CN1CCC1 269982a_100000754969_100000033060 [0,1,0,1,0,0|1,0,1]=4 16772 B11R1.284 CC#CCC(=O)CC1CCC1 1458a_100000763092_100000748600 [0,1,0,1,0,0|1,0,1]=4 16773 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100000763092_100000070051 [0,1,0,1,0,0|1,0,1]=4 16774 B11R1.284 CC=CCC(=O)CC1CCC1 1458a_100121576822_100000763275 [0,1,0,1,0,0|1,0,1]=4 16775 B11R1.284 CCC#CC(=O)CC1CCC1 1458a_100011827653_100000763275 [0,1,0,1,0,0|1,0,0]=3 16776 B11R1.284 CCC#CC(=O)CC1CCO1 1458a_100011827653_100000103362 [0,1,0,1,0,0|2,0,0]=4 16777 B11R1.284 CCC#CC(=O)CC1COC1 1458a_100011827653_100010264016 [0,1,0,1,0,0|2,0,0]=4 16778 B11R1.284 CCC=CC(=O)CC1CCC1 1458a_100000212282_100000763275 [0,1,0,1,0,0|1,0,0]=3 16779 B11R1.284 CCC=CC(=O)CC1CCO1 1458a_100000212282_100000103362 [0,1,0,1,0,0|2,0,0]=4 16780 B11R1.284 CCC=CC(=O)CC1COC1 1458a_100000212282_100010264016 [0,1,0,1,0,0|2,0,0]=4 16781 B11R1.284 CCC=CC(=O)NC1CCC1 11a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 16782 B11R1.284 CCC=CC(=O)NC1CCC1 1626a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 16783 B11R1.284 CCC=CC(=O)NC1CCC1 240690a_100000749019_100000212282 [0,1,0,1,0,0|2,0,0]=4 16784 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000210183_100000763275 [0,1,0,1,0,0|1,0,0]=3 16785 B11R1.284 CCCCC(=O)CC1CCC1 1458a_100000763092_100000210211 [0,1,0,1,0,0|1,0,0]=3 16786 B11R1.284 CCCCC(=O)CC1CCO1 1458a_100000210183_100000103362 [0,1,0,1,0,0|2,0,0]=4 16787 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000210183_100010264016 [0,1,0,1,0,0|2,0,0]=4 16788 B11R1.284 CCCCC(=O)CC1COC1 1458a_100000687760_100000210211 [0,1,0,1,0,0|2,0,0]=4 16789 B11R1.284 CCCCC(=O)NC1CCC1 11a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 16790 B11R1.284 CCCCC(=O)NC1CCC1 1626a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 16791 B11R1.284 CCCCC(=O)NC1CCC1 240690a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 16792 B11R1.284 CCCCC(=O)NC1CCC1 527a_100000749019_100000210183 [0,1,0,1,0,0|2,0,0]=4 16793 B11R1.284 CCCNC(=O)CC1CCC1 11a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 16794 B11R1.284 CCCNC(=O)CC1CCC1 1626a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 16795 B11R1.284 CCCNC(=O)CC1CCC1 240690a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 16796 B11R1.284 CCCNC(=O)CC1CCC1 527a_100020643023_100000763092 [0,1,0,1,0,0|1,0,0]=3 16797 B11R1.284 CCCNC(=O)CC1COC1 11a_100020643023_100000687760 [0,1,0,1,0,0|2,0,0]=4 16798 B11R1.284 CCCNC(=O)CC1COC1 1626a_100020643023_100000687760 [0,1,0,1,0,0|2,0,0]=4 16799 B11R1.284 CCCNC(=O)CN1CCC1 269982a_100000754969_100000183358 [0,1,0,1,0,0|2,0,0]=4 16800 B11R1.284 CCCNC(=O)NC1CCC1 2708a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 16801 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100000749019_100020643023 [0,1,0,1,0,0|2,0,0]=4 16802 B11R1.284 CCCNC(=O)NC1CCC1 273464a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 16803 B11R1.284 CCCNC(=O)NC1CCC1 512a_100000749019_100020643023 [0,1,0,1,0,0|2,0,0]=4 16804 B11R1.284 CCCNC(=O)NC1CCC1 512a_100020643023_100000749019 [0,1,0,1,0,0|2,0,0]=4 16805 B11R1.284 CCCOC(=O)CN1CCC1 269982a_100000754969_200011215008 [0,1,0,1,0,0|1,0,0]=3 16806 B11R1.284 CCNNC(=O)CC1CCC1 22a_100000756455_100000763092 [0,1,0,1,0,0|1,0,0]=3 16807 B11R1.284 CCNNC(=O)CC1COC1 22a_100000756455_100000687760 [0,1,0,1,0,0|2,0,0]=4 16808 B11R1.284 CCNNC(=O)NC1CCC1 273464a_100000749019_100000756455 [0,1,0,1,0,0|2,0,0]=4 16809 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000749019_100000756455 [0,1,0,1,0,0|2,0,0]=4 16810 B11R1.284 CCNNC(=O)NC1CCC1 512a_100000756455_100000749019 [0,1,0,1,0,0|2,0,0]=4 16811 B11R1.284 CCOCC(=O)CC1CCC1 1458a_100000211967_100000763275 [0,1,0,1,0,0|0,0,0]=2 16812 B11R1.284 CCOCC(=O)CC1CCO1 1458a_100000211967_100000103362 [0,1,0,1,0,0|1,0,0]=3 16813 B11R1.284 CCOCC(=O)CC1COC1 1458a_100000211967_100010264016 [0,1,0,1,0,0|1,0,0]=3 16814 B11R1.284 CCOCC(=O)NC1CCC1 11a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 16815 B11R1.284 CCOCC(=O)NC1CCC1 1626a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 16816 B11R1.284 CCOCC(=O)NC1CCC1 240690a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 16817 B11R1.284 CCOCC(=O)NC1CCC1 527a_100000749019_100000211967 [0,1,0,1,0,0|1,0,0]=3 16818 B11R1.284 CCOCC(=O)NC1COC1 11a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 16819 B11R1.284 CCOCC(=O)NC1COC1 1626a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 16820 B11R1.284 CCOCC(=O)NC1COC1 240690a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 16821 B11R1.284 CCOCC(=O)NC1COC1 527a_100016991112_100000211967 [0,1,0,1,0,0|2,0,0]=4 16822 B11R1.284 CCOCC(=O)NC1CSC1 11a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 16823 B11R1.284 CCOCC(=O)NC1CSC1 1626a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 16824 B11R1.284 CCOCC(=O)NC1CSC1 240690a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 16825 B11R1.284 CCOCC(=O)NC1CSC1 527a_100016994217_100000211967 [0,1,0,1,0,0|2,0,0]=4 16826 B11R1.284 CCOCN(C)CC1CCC1 269982a_200000750244_100000739092 [0,1,0,1,0,0|2,0,0]=4 16827 B11R1.284 CCSCC(=O)CC1CCC1 1458a_100000230394_100000763275 [0,1,0,1,0,0|0,1,0]=3 16828 B11R1.284 CCSCC(=O)CC1CCO1 1458a_100000230394_100000103362 [0,1,0,1,0,0|1,1,0]=4 16829 B11R1.284 CCSCC(=O)CC1COC1 1458a_100000230394_100010264016 [0,1,0,1,0,0|1,1,0]=4 16830 B11R1.284 CCSCC(=O)NC1CCC1 11a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 16831 B11R1.284 CCSCC(=O)NC1CCC1 1626a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 16832 B11R1.284 CCSCC(=O)NC1CCC1 240690a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 16833 B11R1.284 CCSCC(=O)NC1CCC1 527a_100000749019_100000230394 [0,1,0,1,0,0|1,1,0]=4 16834 B11R1.284 COC=CC(=O)CC1CCC1 1458a_100016268678_100000763275 [0,1,0,1,0,0|1,0,1]=4 16835 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000749529_100000763275 [0,1,0,1,0,0|1,0,0]=3 16836 B11R1.284 COCCC(=O)CC1CCC1 1458a_100000763092_100000233755 [0,1,0,1,0,0|1,0,0]=3 16837 B11R1.284 COCCC(=O)CC1CCO1 1458a_100000749529_100000103362 [0,1,0,1,0,0|2,0,0]=4 16838 B11R1.284 COCCC(=O)CC1COC1 1458a_100000687760_100000233755 [0,1,0,1,0,0|2,0,0]=4 16839 B11R1.284 COCCC(=O)CC1COC1 1458a_100000749529_100010264016 [0,1,0,1,0,0|2,0,0]=4 16840 B11R1.284 COCCC(=O)NC1CCC1 11a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 16841 B11R1.284 COCCC(=O)NC1CCC1 1626a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 16842 B11R1.284 COCCC(=O)NC1CCC1 240690a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 16843 B11R1.284 COCCC(=O)NC1CCC1 527a_100000749019_100000749529 [0,1,0,1,0,0|2,0,0]=4 16844 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000174002_100000763275 [0,1,0,1,0,0|1,0,0]=3 16845 B11R1.284 CSCCC(=O)CC1CCC1 1458a_100000763092_100000751147 [0,1,0,1,0,0|1,0,0]=3 16846 B11R1.284 CSCCC(=O)CC1CCO1 1458a_100000174002_100000103362 [0,1,0,1,0,0|2,0,0]=4 16847 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000174002_100010264016 [0,1,0,1,0,0|2,0,0]=4 16848 B11R1.284 CSCCC(=O)CC1COC1 1458a_100000687760_100000751147 [0,1,0,1,0,0|2,0,0]=4 16849 B11R1.284 CSCCC(=O)NC1CCC1 11a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 16850 B11R1.284 CSCCC(=O)NC1CCC1 1626a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 16851 B11R1.284 CSCCC(=O)NC1CCC1 240690a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 16852 B11R1.284 CSCCC(=O)NC1CCC1 527a_100000749019_100000174002 [0,1,0,1,0,0|2,0,0]=4 16853 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100000763092_100011215226 [0,1,0,1,0,0|1,0,1]=4 16854 B11R1.284 N#CCCC(=O)CC1CCC1 1458a_100011934036_100000763275 [0,1,0,1,0,0|1,0,1]=4 16855 B11R1.284 N#CCNC(=O)CC1CCC1 1626a_100000734998_100000763092 [0,1,0,1,0,0|1,0,1]=4 16856 B11R1.284 N#CCNC(=O)CC1CCC1 527a_100000734998_100000763092 [0,1,0,1,0,0|1,0,1]=4 16857 B11R1.284 O=C(C#CCO)CC1CCC1 1458a_100000049017_100000763275 [0,1,0,1,0,0|1,0,1]=4 16858 B11R1.284 O=C(CC1CCC1)NCCF 11a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 16859 B11R1.284 O=C(CC1CCC1)NCCF 1626a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 16860 B11R1.284 O=C(CC1CCC1)NCCF 240690a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 16861 B11R1.284 O=C(CC1CCC1)NCCF 527a_100000724931_100000763092 [0,1,0,1,0,0|1,0,0]=3 16862 B11R1.284 O=C(CC1CCC1)NCCO 240690a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 16863 B11R1.284 O=C(CC1CCC1)NCCO 527a_100000210304_100000763092 [0,1,0,1,0,0|1,0,0]=3 16864 B11R1.284 O=C(CC1COC1)NCCF 11a_100000724931_100000687760 [0,1,0,1,0,0|2,0,0]=4 16865 B11R1.284 O=C(CC1COC1)NCCF 1626a_100000724931_100000687760 [0,1,0,1,0,0|2,0,0]=4 16866 B11R1.284 O=C(CCCF)CC1CCC1 1458a_100000763092_100011934791 [0,1,0,1,0,0|1,0,0]=3 16867 B11R1.284 O=C(CCCF)CC1COC1 1458a_100000687760_100011934791 [0,1,0,1,0,0|2,0,0]=4 16868 B11R1.284 O=C(CCCO)CC1CCC1 1458a_100000763092_100011215043 [0,1,0,1,0,0|1,0,0]=3 16869 B11R1.284 O=C(CCCO)CC1COC1 1458a_100000687760_100011215043 [0,1,0,1,0,0|2,0,0]=4 16870 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000724931_100000749019 [0,1,0,1,0,0|2,0,0]=4 16871 B11R1.284 O=C(NCCF)NC1CCC1 273464a_100000749019_100000724931 [0,1,0,1,0,0|2,0,0]=4 16872 B11R1.284 O=C(NCCF)NC1CCC1 512a_100000749019_100000724931 [0,1,0,1,0,0|2,0,0]=4 16873 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000210304_100000749019 [0,1,0,1,0,0|2,0,0]=4 16874 B11R1.284 O=C(NCCO)NC1CCC1 273464a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 16875 B11R1.284 O=C(NCCO)NC1CCC1 512a_100000749019_100000210304 [0,1,0,1,0,0|2,0,0]=4 16876 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000692101_100000694398 [0,1,0,1,0,0|1,0,1]=4 16877 B11R1.285 C#CCCC(=O)CCC1CC1 1458a_100000756386_100000753159 [0,1,0,1,0,0|1,0,1]=4 16878 B11R1.285 C#CCNC(=O)CCC1CC1 11a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 16879 B11R1.285 C#CCNC(=O)CCC1CC1 1626a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 16880 B11R1.285 C#CCNC(=O)CCC1CC1 240690a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 16881 B11R1.285 C#CCNC(=O)CCC1CC1 527a_100000212058_100000756386 [0,1,0,1,0,0|1,0,1]=4 16882 B11R1.285 C/C=C/CC(=O)CCC1CC1 1458a_100000756386_100102629194 [0,1,0,1,0,0|1,0,1]=4 16883 B11R1.285 C=C(CNC1CC1)OCOC 34a_100000212008_100000042856 [0,1,0,1,0,0|2,0,0]=4 16884 B11R1.285 C=C(CSC1CC1)OCOC 62a_100000042856_100000211595 [0,1,0,1,0,0|2,0,0]=4 16885 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000749702_100000694398 [0,1,0,1,0,0|1,0,1]=4 16886 B11R1.285 C=CCCC(=O)CCC1CC1 1458a_100000756386_100000754431 [0,1,0,1,0,0|1,0,1]=4 16887 B11R1.285 C=CCNC(=O)CCC1CC1 1626a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 16888 B11R1.285 C=CCNC(=O)CCC1CC1 240690a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 16889 B11R1.285 C=CCNC(=O)CCC1CC1 527a_100020586998_100000756386 [0,1,0,1,0,0|1,0,1]=4 16890 B11R1.285 C=CCOC(=O)CNC1CC1 34a_100000212008_100000033060 [0,1,0,1,0,0|1,0,1]=4 16891 B11R1.285 C=CCOC(=O)CSC1CC1 62a_100000033060_100000211595 [0,1,0,1,0,0|1,0,1]=4 16892 B11R1.285 CC#CCC(=O)CCC1CC1 1458a_100000756386_100000748600 [0,1,0,1,0,0|1,0,1]=4 16893 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100000756386_100000070051 [0,1,0,1,0,0|1,0,1]=4 16894 B11R1.285 CC=CCC(=O)CCC1CC1 1458a_100121576822_100000694398 [0,1,0,1,0,0|1,0,1]=4 16895 B11R1.285 CCC#CC(=O)CCC1CC1 1458a_100011827653_100000694398 [0,1,0,1,0,0|1,0,0]=3 16896 B11R1.285 CCC#CC(=O)CCC1CO1 1458a_100011827653_100000732470 [0,1,0,1,0,0|2,0,0]=4 16897 B11R1.285 CCC=CC(=O)CCC1CC1 1458a_100000212282_100000694398 [0,1,0,1,0,0|1,0,0]=3 16898 B11R1.285 CCC=CC(=O)CCC1CO1 1458a_100000212282_100000732470 [0,1,0,1,0,0|2,0,0]=4 16899 B11R1.285 CCC=CC(=O)NCC1CC1 11a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 16900 B11R1.285 CCC=CC(=O)NCC1CC1 1626a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 16901 B11R1.285 CCC=CC(=O)NCC1CC1 240690a_100000735609_100000212282 [0,1,0,1,0,0|2,0,0]=4 16902 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000210183_100000694398 [0,1,0,1,0,0|1,0,0]=3 16903 B11R1.285 CCCCC(=O)CCC1CC1 1458a_100000756386_100000210211 [0,1,0,1,0,0|1,0,0]=3 16904 B11R1.285 CCCCC(=O)CCC1CO1 1458a_100000210183_100000732470 [0,1,0,1,0,0|2,0,0]=4 16905 B11R1.285 CCCCC(=O)NCC1CC1 11a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 16906 B11R1.285 CCCCC(=O)NCC1CC1 1626a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 16907 B11R1.285 CCCCC(=O)NCC1CC1 240690a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 16908 B11R1.285 CCCCC(=O)NCC1CC1 527a_100000735609_100000210183 [0,1,0,1,0,0|2,0,0]=4 16909 B11R1.285 CCCNC(=O)CCC1CC1 11a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 16910 B11R1.285 CCCNC(=O)CCC1CC1 1626a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 16911 B11R1.285 CCCNC(=O)CCC1CC1 240690a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 16912 B11R1.285 CCCNC(=O)CCC1CC1 527a_100020643023_100000756386 [0,1,0,1,0,0|1,0,0]=3 16913 B11R1.285 CCCNC(=O)CNC1CC1 34a_100000212008_100000183358 [0,1,0,1,0,0|2,0,0]=4 16914 B11R1.285 CCCNC(=O)CSC1CC1 62a_100000183358_100000211595 [0,1,0,1,0,0|2,0,0]=4 16915 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 16916 B11R1.285 CCCNC(=O)NCC1CC1 2708a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 16917 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 16918 B11R1.285 CCCNC(=O)NCC1CC1 273464a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 16919 B11R1.285 CCCNC(=O)NCC1CC1 512a_100000735609_100020643023 [0,1,0,1,0,0|2,0,0]=4 16920 B11R1.285 CCCNC(=O)NCC1CC1 512a_100020643023_100000735609 [0,1,0,1,0,0|2,0,0]=4 16921 B11R1.285 CCCOC(=O)CNC1CC1 34a_100000212008_200011215008 [0,1,0,1,0,0|1,0,0]=3 16922 B11R1.285 CCCOC(=O)CSC1CC1 62a_200011215008_100000211595 [0,1,0,1,0,0|1,0,0]=3 16923 B11R1.285 CCNNC(=O)CCC1CC1 22a_100000756455_100000756386 [0,1,0,1,0,0|1,0,0]=3 16924 B11R1.285 CCNNC(=O)NCC1CC1 273464a_100000735609_100000756455 [0,1,0,1,0,0|2,0,0]=4 16925 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000735609_100000756455 [0,1,0,1,0,0|2,0,0]=4 16926 B11R1.285 CCNNC(=O)NCC1CC1 512a_100000756455_100000735609 [0,1,0,1,0,0|2,0,0]=4 16927 B11R1.285 CCOCC(=O)CCC1CC1 1458a_100000211967_100000694398 [0,1,0,1,0,0|0,0,0]=2 16928 B11R1.285 CCOCC(=O)CCC1CO1 1458a_100000211967_100000732470 [0,1,0,1,0,0|1,0,0]=3 16929 B11R1.285 CCOCC(=O)NCC1CC1 11a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 16930 B11R1.285 CCOCC(=O)NCC1CC1 1626a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 16931 B11R1.285 CCOCC(=O)NCC1CC1 240690a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 16932 B11R1.285 CCOCC(=O)NCC1CC1 527a_100000735609_100000211967 [0,1,0,1,0,0|1,0,0]=3 16933 B11R1.285 CCOCC(=O)NNC1CC1 22a_100000701032_100000211967 [0,1,0,1,0,0|2,0,0]=4 16934 B11R1.285 CCSCC(=O)CCC1CC1 1458a_100000230394_100000694398 [0,1,0,1,0,0|0,1,0]=3 16935 B11R1.285 CCSCC(=O)CCC1CO1 1458a_100000230394_100000732470 [0,1,0,1,0,0|1,1,0]=4 16936 B11R1.285 CCSCC(=O)NCC1CC1 11a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 16937 B11R1.285 CCSCC(=O)NCC1CC1 1626a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 16938 B11R1.285 CCSCC(=O)NCC1CC1 240690a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 16939 B11R1.285 CCSCC(=O)NCC1CC1 527a_100000735609_100000230394 [0,1,0,1,0,0|1,1,0]=4 16940 B11R1.285 COC=CC(=O)CCC1CC1 1458a_100016268678_100000694398 [0,1,0,1,0,0|1,0,1]=4 16941 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000749529_100000694398 [0,1,0,1,0,0|1,0,0]=3 16942 B11R1.285 COCCC(=O)CCC1CC1 1458a_100000756386_100000233755 [0,1,0,1,0,0|1,0,0]=3 16943 B11R1.285 COCCC(=O)CCC1CO1 1458a_100000749529_100000732470 [0,1,0,1,0,0|2,0,0]=4 16944 B11R1.285 COCCC(=O)NCC1CC1 11a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 16945 B11R1.285 COCCC(=O)NCC1CC1 1626a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 16946 B11R1.285 COCCC(=O)NCC1CC1 240690a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 16947 B11R1.285 COCCC(=O)NCC1CC1 527a_100000735609_100000749529 [0,1,0,1,0,0|2,0,0]=4 16948 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000174002_100000694398 [0,1,0,1,0,0|1,0,0]=3 16949 B11R1.285 CSCCC(=O)CCC1CC1 1458a_100000756386_100000751147 [0,1,0,1,0,0|1,0,0]=3 16950 B11R1.285 CSCCC(=O)CCC1CO1 1458a_100000174002_100000732470 [0,1,0,1,0,0|2,0,0]=4 16951 B11R1.285 CSCCC(=O)NCC1CC1 11a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 16952 B11R1.285 CSCCC(=O)NCC1CC1 1626a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 16953 B11R1.285 CSCCC(=O)NCC1CC1 240690a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 16954 B11R1.285 CSCCC(=O)NCC1CC1 527a_100000735609_100000174002 [0,1,0,1,0,0|2,0,0]=4 16955 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100000756386_100011215226 [0,1,0,1,0,0|1,0,1]=4 16956 B11R1.285 N#CCCC(=O)CCC1CC1 1458a_100011934036_100000694398 [0,1,0,1,0,0|1,0,1]=4 16957 B11R1.285 N#CCNC(=O)CCC1CC1 1626a_100000734998_100000756386 [0,1,0,1,0,0|1,0,1]=4 16958 B11R1.285 N#CCNC(=O)CCC1CC1 527a_100000734998_100000756386 [0,1,0,1,0,0|1,0,1]=4 16959 B11R1.285 O=C(C#CCO)CCC1CC1 1458a_100000049017_100000694398 [0,1,0,1,0,0|1,0,1]=4 16960 B11R1.285 O=C(CCC1CC1)NCCF 11a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 16961 B11R1.285 O=C(CCC1CC1)NCCF 1626a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 16962 B11R1.285 O=C(CCC1CC1)NCCF 240690a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 16963 B11R1.285 O=C(CCC1CC1)NCCF 527a_100000724931_100000756386 [0,1,0,1,0,0|1,0,0]=3 16964 B11R1.285 O=C(CCC1CC1)NCCO 240690a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 16965 B11R1.285 O=C(CCC1CC1)NCCO 527a_100000210304_100000756386 [0,1,0,1,0,0|1,0,0]=3 16966 B11R1.285 O=C(CCCF)CCC1CC1 1458a_100000756386_100011934791 [0,1,0,1,0,0|1,0,0]=3 16967 B11R1.285 O=C(CCCO)CCC1CC1 1458a_100000756386_100011215043 [0,1,0,1,0,0|1,0,0]=3 16968 B11R1.285 O=C(NCCF)NCC1CC1 2708a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 16969 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000724931_100000735609 [0,1,0,1,0,0|2,0,0]=4 16970 B11R1.285 O=C(NCCF)NCC1CC1 273464a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 16971 B11R1.285 O=C(NCCF)NCC1CC1 512a_100000735609_100000724931 [0,1,0,1,0,0|2,0,0]=4 16972 B11R1.285 O=C(NCCO)NCC1CC1 2708a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 16973 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000210304_100000735609 [0,1,0,1,0,0|2,0,0]=4 16974 B11R1.285 O=C(NCCO)NCC1CC1 273464a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 16975 B11R1.285 O=C(NCCO)NCC1CC1 512a_100000735609_100000210304 [0,1,0,1,0,0|2,0,0]=4 16976 B11R1.286 CC1CCN1C(=O)NCCF 273464a_100000724931_100000755817 [0,1,0,1,0,0|2,0,0]=4 16977 B11R1.286 CC1CCN1C(=O)NCCO 273464a_100000210304_100000755817 [0,1,0,1,0,0|2,0,0]=4 16978 B11R1.286 CCC=CC(=O)N1CCC1C 11a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 16979 B11R1.286 CCC=CC(=O)N1CCC1C 240690a_100000755817_100000212282 [0,1,0,1,0,0|2,0,0]=4 16980 B11R1.286 CCCCC(=O)N1CCC1C 11a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 16981 B11R1.286 CCCCC(=O)N1CCC1C 240690a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 16982 B11R1.286 CCCCC(=O)N1CCC1C 527a_100000755817_100000210183 [0,1,0,1,0,0|2,0,0]=4 16983 B11R1.286 CCCNC(=O)N1CCC1C 2708a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 16984 B11R1.286 CCCNC(=O)N1CCC1C 273464a_100020643023_100000755817 [0,1,0,1,0,0|2,0,0]=4 16985 B11R1.286 CCOCC(=O)C1CCC1=O 1458a_100000211967_100009892977 [0,1,0,1,0,0|1,0,1]=4 16986 B11R1.286 CCOCC(=O)N1CCC1C 11a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 16987 B11R1.286 CCOCC(=O)N1CCC1C 240690a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 16988 B11R1.286 CCOCC(=O)N1CCC1C 527a_100000755817_100000211967 [0,1,0,1,0,0|1,0,0]=3 16989 B11R1.286 CCSCC(=O)N1CCC1C 11a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 16990 B11R1.286 CCSCC(=O)N1CCC1C 240690a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 16991 B11R1.286 CCSCC(=O)N1CCC1C 527a_100000755817_100000230394 [0,1,0,1,0,0|1,1,0]=4 16992 B11R1.286 COCCC(=O)N1CCC1C 11a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 16993 B11R1.286 COCCC(=O)N1CCC1C 240690a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 16994 B11R1.286 COCCC(=O)N1CCC1C 527a_100000755817_100000749529 [0,1,0,1,0,0|2,0,0]=4 16995 B11R1.286 CSCCC(=O)N1CCC1C 11a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 16996 B11R1.286 CSCCC(=O)N1CCC1C 240690a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 16997 B11R1.286 CSCCC(=O)N1CCC1C 527a_100000755817_100000174002 [0,1,0,1,0,0|2,0,0]=4 16998 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 2230a_102125656889_100000210202 [0,1,0,1,0,0|2,0,0]=4 16999 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 269982a_102125656889_100000204670 [0,1,0,1,0,0|2,0,0]=4 17000 B11R1.391 CCN1CCC(=O)NC[C@@H]1C 34a_102125656889_100000210202 [0,1,0,1,0,0|2,0,0]=4 17001 B11R1.465 CCCOC1C(=O)COC1=O 34a_100000210258_100000032967 [0,1,0,1,0,0|1,0,1]=4 17002 B11R1.465 CCCSC1C(=O)COC1=O 62a_100000210303_100000032967 [0,1,0,1,0,0|1,0,1]=4 17003 B11R1.605 CCOC1C(CCCC1C)C 34a_100011218088_100000210202 [0,1,0,1,0,0|1,0,1]=4 17004 B11R1.605 CCOC1C(CCCC1C)C 7a_100011218088_100000210202 [0,1,0,1,0,0|1,0,1]=4 17005 B11R1.900 CC1(CCCCC1)OCCF 34a_100011215885_100011217306 [0,1,0,1,0,0|1,0,1]=4 17006 B11R1.900 CC1(CCCCC1)OCCF 7a_100011215885_100011217306 [0,1,0,1,0,0|1,0,1]=4 17007 B11R1.900 CC1(CCCCC1)OCCO 34a_100011215885_100000211926 [0,1,0,1,0,0|1,0,1]=4 17008 B11R1.900 CC1(CCCCC1)OCCO 7a_100011215885_100000211926 [0,1,0,1,0,0|1,0,1]=4 17009 B11R1.900 CCCOC1(CCCCC1)C 34a_100011215885_100000210303 [0,1,0,1,0,0|1,0,1]=4 17010 B11R1.900 CCCOC1(CCCCC1)C 7a_100011215885_100000210303 [0,1,0,1,0,0|1,0,1]=4 17011 B11R1.900 CCOCC1(CCCCC1)C 34a_100000688186_100000210202 [0,1,0,1,0,0|1,0,1]=4 17012 B11R1.900 CCOCC1(CCCCC1)C 7a_100000688186_100000210202 [0,1,0,1,0,0|1,0,1]=4 17013 B11R1.900 CCOCC1(CCCCC1)F 34a_100000090305_100000210202 [0,1,0,1,0,0|1,0,1]=4 17014 B11R1.900 CCOCC1(CCCCC1)F 7a_100000090305_100000210202 [0,1,0,1,0,0|1,0,1]=4 17015 B11R1.900 CCOCC1(CCCCC1)N 34a_100000740034_100000210202 [0,1,0,1,0,0|1,0,1]=4 17016 B11R1.900 CSCOC1(CCCCC1)C 34a_100011215885_100011218213 [0,1,0,1,0,0|1,0,1]=4 17017 B11R1.228 CC(CF)OC1CCOC1=O 34a_100016041109_100000211211 [0,1,0,1,0,0|2,0,0]=4 17018 B11R1.228 CC(CF)OC1CCOC1=O 7a_100016041109_100000211211 [0,1,0,1,0,0|2,0,0]=4 17019 B11R1.228 CC(CN)OC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 17020 B11R1.228 CC(CO)SC1CCOC1=O 62a_100012180447_100000211211 [0,1,0,1,0,0|2,0,0]=4 17021 B11R1.228 CCC(=O)CN1CCOC1=O 1458a_100011227918_100000210202 [0,1,0,1,0,0|1,0,1]=4 17022 B11R1.228 CCC(C)NC1CCCC1=O 2230a_100000209981_100000211823 [0,1,0,1,0,0|2,0,0]=4 17023 B11R1.228 CCC(C)NC1CCNC1=O 2230a_100016995588_100000758301 [0,1,0,1,0,0|2,0,0]=4 17024 B11R1.228 CCC(C)NC1CCNC1=O 34a_100016995588_100011215416 [0,1,0,1,0,0|2,0,0]=4 17025 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|1,0,0]=3 17026 B11R1.228 CCC(C)OC1CCCC1=O 34a_200000719330_100011215416 [0,1,0,1,0,0|2,0,0]=4 17027 B11R1.228 CCC(C)OC1CCCC1=O 7a_100000210228_100000211823 [0,1,0,1,0,0|2,0,0]=4 17028 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|1,0,0]=3 17029 B11R1.228 CCC(C)O[C@H]1CCNC1=O 34a_100000688343_100011215416 [0,1,0,1,0,0|2,0,0]=4 17030 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000211823_100000758301 [0,1,0,1,0,0|2,0,0]=4 17031 B11R1.228 CCC(C)SC1CCCC1=O 62a_100000758301_100000211823 [0,1,0,1,0,0|2,0,0]=4 17032 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|1,0,0]=3 17033 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|1,0,0]=3 17034 B11R1.228 COC(C)SC1CCOC1=O 62a_100000211211_100009879195 [0,1,0,1,0,0|2,0,0]=4 17035 B11R1.228 COC(C)SC1CCOC1=O 62a_100009879195_100000211211 [0,1,0,1,0,0|2,0,0]=4 17036 B11R1.228 C[C@H](CO)NC1CCOC1=O 2230a_100000737577_100000211211 [0,1,0,1,0,0|2,0,0]=4 17037 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100000211211_100016084084 [0,1,0,1,0,0|2,0,0]=4 17038 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100016084084_100000211211 [0,1,0,1,0,0|2,0,0]=4 17039 B11R1.338 CCCC(=O)CNC1(CC1)C 2230a_100000757604_100000747444 [0,1,0,1,0,0|2,0,0]=4 17040 B11R1.338 CCCC(=O)COC1(CC1)C 7a_100011725673_100000747444 [0,1,0,1,0,0|2,0,0]=4 17041 B11R1.338 CCCC(=O)NCC1(CC1)C 11a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 17042 B11R1.338 CCCC(=O)NCC1(CC1)C 1626a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 17043 B11R1.338 CCCC(=O)NCC1(CC1)C 240690a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 17044 B11R1.338 CCCC(=O)NCC1(CC1)C 527a_100000766693_100000211992 [0,1,0,1,0,0|2,0,0]=4 17045 B11R1.338 CCCC(=O)NCC1(CC1)O 11a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 17046 B11R1.338 CCCC(=O)NCC1(CC1)O 240690a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 17047 B11R1.338 CCCC(=O)NCC1(CC1)O 527a_100011936951_100000211992 [0,1,0,1,0,0|2,0,0]=4 17048 B11R1.338 CCNC(=O)CNC1(CC1)C 2230a_100000757604_100000183381 [0,1,0,1,0,0|2,0,0]=4 17049 B11R1.338 CCNC(=O)COC1(CC1)C 7a_100011725673_100000183381 [0,1,0,1,0,0|2,0,0]=4 17050 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 17051 B11R1.338 CCNC(=O)NCC1(CC1)C 2708a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 17052 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 17053 B11R1.338 CCNC(=O)NCC1(CC1)C 273464a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 17054 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100000766693_100015525214 [0,1,0,1,0,0|2,0,0]=4 17055 B11R1.338 CCNC(=O)NCC1(CC1)C 512a_100015525214_100000766693 [0,1,0,1,0,0|2,0,0]=4 17056 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100011936951_100015525214 [0,1,0,1,0,0|2,0,0]=4 17057 B11R1.338 CCNC(=O)NCC1(CC1)O 2708a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 17058 B11R1.338 CCNC(=O)NCC1(CC1)O 273464a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 17059 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100011936951_100015525214 [0,1,0,1,0,0|2,0,0]=4 17060 B11R1.338 CCNC(=O)NCC1(CC1)O 512a_100015525214_100011936951 [0,1,0,1,0,0|2,0,0]=4 17061 B11R1.338 CCOC(=O)CNC1(CC1)C 2230a_100000757604_100000188475 [0,1,0,1,0,0|1,0,0]=3 17062 B11R1.338 CCOC(=O)COC1(CC1)C 7a_100011725673_100000188475 [0,1,0,1,0,0|1,0,0]=3 17063 B11R1.524 CCC(C)CNC(=O)C1CC1 11a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 17064 B11R1.524 CCC(C)CNC(=O)C1CC1 1626a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 17065 B11R1.524 CCC(C)CNC(=O)C1CC1 240690a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 17066 B11R1.524 CCC(C)CNC(=O)C1CC1 527a_100020588543_100000210395 [0,1,0,1,0,0|2,0,0]=4 17067 B11R1.524 CCC(C)NCC(=O)C1CC1 2230a_100000209981_100000746382 [0,1,0,1,0,0|2,0,0]=4 17068 B11R1.524 CCC(C)OCC(=O)C1CC1 34a_100000686663_100011215416 [0,1,0,1,0,0|2,0,0]=4 17069 B11R1.524 CCC(C)OCC(=O)C1CC1 7a_100000210228_100000746382 [0,1,0,1,0,0|2,0,0]=4 17070 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000746382_100000758301 [0,1,0,1,0,0|2,0,0]=4 17071 B11R1.524 CCC(C)SCC(=O)C1CC1 62a_100000758301_100000746382 [0,1,0,1,0,0|2,0,0]=4 17072 B11R1.524 CCC(O)CNC(=O)C1CC1 11a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 17073 B11R1.524 CCC(O)CNC(=O)C1CC1 240690a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 17074 B11R1.524 CCC(O)CNC(=O)C1CC1 527a_100011218483_100000210395 [0,1,0,1,0,0|2,0,0]=4 17075 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 17076 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 17077 B11R1.820 CCCC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100000211992 [0,1,0,1,0,0|2,0,0]=4 17078 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 2708a_100015525214_206633788156 [0,1,0,1,0,0|2,0,0]=4 17079 B11R1.820 CCNC(=O)N1C[C@@H]([C@@H]1C)O 273464a_100015525214_206633788156 [0,1,0,1,0,0|2,0,0]=4 17080 B11R1.1234 CCO[C@@]1(CC[C@H](CC1)N)C 34a_202125554758_100000210202 [0,1,0,1,0,0|1,0,1]=4 17081 B11R1.33 CCNS(=O)(=O)C1CCCC1 270084a_100015525214_100000748936 [0,1,0,1,0,0|2,0,0]=4 17082 B11R1.33 CCNS(=O)(=O)C1CCCC1 274078a_100015525214_100000748936 [0,1,0,1,0,0|2,0,0]=4 17083 B11R1.33 CCOC(C)(C)C1CCCC1 34a_100000745555_100000210202 [0,1,0,1,0,0|1,0,1]=4 17084 B11R1.33 CCOC(C)(C)C1CCCC1 7a_100000745555_100000210202 [0,1,0,1,0,0|1,0,1]=4 17085 B11R2.248 CCOC1CC2CCC1C2 34a_100000211339_100000210202 [0,0,0,2,0,0|1,0,1]=4 17086 B11R2.248 CCOC1CC2CCC1C2 34a_100121572206_100000727232 [0,0,0,2,0,0|1,0,1]=4 17087 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200000210301_200015607011 [0,0,0,2,0,0|2,0,0]=4 17088 B11R2.28 CSC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200000210301 [0,0,0,2,0,0|2,0,0]=4 17089 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200015607011_200025704644 [0,0,0,2,0,0|2,0,0]=4 17090 B11R2.28 [13CH3]SC1C(=O)[C@H]2CC[C@@H]1C2 62a_200025704644_200015607011 [0,0,0,2,0,0|2,0,0]=4 17091 B11R2.1031 O=C(C1CC1)C2CCOC2 1458a_100000210395_100000690089 [0,0,0,2,0,0|2,0,0]=4 17092 B11R2.1031 O=C(C1CC1)N2CCCC2 240690a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 17093 B11R2.1031 O=C(C1CC1)N2CCCC2 527a_100000188435_100000210395 [0,0,0,2,0,0|2,0,0]=4 17094 B11R2.1031 O=C(C1CCCC1)C2CC2 1458a_100000210395_100000179811 [0,0,0,2,0,0|1,0,0]=3 17095 B11R2.1031 O=C(C1CCCC1)C2CO2 1458a_100000701028_100000179811 [0,0,0,2,0,0|2,0,0]=4 17096 B11R2.115 O=C1CCCC1NC2CC2 34a_100000212008_100000709159 [0,0,0,2,0,0|2,0,0]=4 17097 B11R2.115 O=C1CCCC1OC2CC2 34a_200000719330_100000211595 [0,0,0,2,0,0|2,0,0]=4 17098 B11R2.115 O=C1CCCC1SC2CC2 62a_100000211823_100000211595 [0,0,0,2,0,0|2,0,0]=4 17099 B11R2.115 O=C1NCCC1NC2CC2 34a_100016995588_100000211595 [0,0,0,2,0,0|2,0,0]=4 17100 B11R2.115 O=C1NCC[C@@H]1OC2CC2 34a_100000688343_100000211595 [0,0,0,2,0,0|2,0,0]=4 17101 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|1,0,0]=3 17102 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|1,0,0]=3 17103 B11R2.459 O=C1CCCC1N2CCC2 269982a_100000754969_100000211823 [0,0,0,2,0,0|2,0,0]=4 17104 B11R2.459 O=C1OCCC1N2CCC2 269982a_100000754969_100000211211 [0,0,0,2,0,0|1,0,0]=3 17105 B11R2.863 O=C(CC1CCC1)C2CC2 1458a_100000210395_100000763275 [0,0,0,2,0,0|1,0,0]=3 17106 B11R2.863 O=C(CC1CCC1)C2CO2 1458a_100000701028_100000763275 [0,0,0,2,0,0|2,0,0]=4 17107 B11R2.863 O=C(CC1CCO1)C2CC2 1458a_100000210395_100000103362 [0,0,0,2,0,0|2,0,0]=4 17108 B11R2.863 O=C(CC1COC1)C2CC2 1458a_100000210395_100010264016 [0,0,0,2,0,0|2,0,0]=4 17109 B11R2.863 O=C(CN1CCC1)C2CC2 269982a_100000754969_100000746382 [0,0,0,2,0,0|2,0,0]=4 17110 B11R2.863 O=C(NC1CCC1)C2CC2 11a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 17111 B11R2.863 O=C(NC1CCC1)C2CC2 1626a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 17112 B11R2.863 O=C(NC1CCC1)C2CC2 240690a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 17113 B11R2.863 O=C(NC1CCC1)C2CC2 527a_100000749019_100000210395 [0,0,0,2,0,0|2,0,0]=4 17114 B11R2.862 O=C(CCC1CC1)C2CC2 1458a_100000210395_100000694398 [0,0,0,2,0,0|1,0,0]=3 17115 B11R2.862 O=C(CCC1CC1)C2CO2 1458a_100000701028_100000694398 [0,0,0,2,0,0|2,0,0]=4 17116 B11R2.862 O=C(CCC1CO1)C2CC2 1458a_100000210395_100000732470 [0,0,0,2,0,0|2,0,0]=4 17117 B11R2.862 O=C(CNC1CC1)C2CC2 34a_100000212008_100000746382 [0,0,0,2,0,0|2,0,0]=4 17118 B11R2.862 O=C(COC1CC1)C2CC2 34a_100000686663_100000211595 [0,0,0,2,0,0|2,0,0]=4 17119 B11R2.862 O=C(CSC1CC1)C2CC2 62a_100000746382_100000211595 [0,0,0,2,0,0|2,0,0]=4 17120 B11R2.862 O=C(NCC1CC1)C2CC2 11a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 17121 B11R2.862 O=C(NCC1CC1)C2CC2 1626a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 17122 B11R2.862 O=C(NCC1CC1)C2CC2 240690a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 17123 B11R2.862 O=C(NCC1CC1)C2CC2 527a_100000735609_100000210395 [0,0,0,2,0,0|2,0,0]=4 17124 B11R2.792 CC1CCN1C(=O)C2CC2 11a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 17125 B11R2.792 CC1CCN1C(=O)C2CC2 240690a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4 17126 B11R2.792 CC1CCN1C(=O)C2CC2 527a_100000755817_100000210395 [0,0,0,2,0,0|2,0,0]=4