0 B6R0.6 C#CCCCNC 2230a_106832991635_100000731252 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C#CCCCNC 34a_100000718082_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCCCNC 34a_100102657272_100000695029 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCCCNC 7a_106832991635_100011215417 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C#CCCCN[13CH3] 34a_100000718082_200025704644 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C#CCCCOC 34a_100000215630_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 C#CCCCOC 34a_100138415774_100000695029 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C#CCCCOC 7a_100000215630_200000210301 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.6 C#CCCCO[13CH3] 34a_100000215630_200025704644 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.6 C#CCCCO[13CH3] 7a_100000215630_200025704644 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 C#CCCCSC 62a_100011215417_200000210301 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C#CCCCSC 62a_200000210301_100011215417 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C#CCCCS[13CH3] 62a_100011215417_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C#CCCCS[13CH3] 62a_200025704644_100011215417 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 C#CCOCC=C 34a_100000210247_100015514636 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C#CCOCC=C 34a_200000210373_100000184674 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C#CCOCC=O 34a_100000210247_200009817547 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.6 C#CCSCC=C 62a_100000038162_100000210623 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C#CCSCC=O 62a_100000038162_200015260668 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [0,0,0,0,0,0|3,0,0]=3 28 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 C=CCCOCF 34a_100011205117_100015361967 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.6 C=CCCSCF 62a_100000754431_100015361967 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 C=CCCSCF 62a_100015361967_100000754431 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|2,0,2]=4 57 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|2,0,2]=4 58 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.6 C=CCOCC=C 34a_200000210373_100015514636 [0,0,0,0,0,0|3,0,0]=3 61 B6R0.6 C=CCOCC=O 34a_200000210373_200009817547 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.6 C=CCOCSC 34a_200000210373_100011218213 [0,0,0,0,0,0|4,0,0]=4 69 B6R0.6 C=CCSCC#N 62a_100000210623_100011215382 [0,0,0,0,0,0|3,0,1]=4 70 B6R0.6 C=CCSCC#N 62a_100011215382_100000210623 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.6 C=CCSCC=C 62a_100000210623_100000210623 [0,0,0,0,0,0|3,0,0]=3 72 B6R0.6 C=CCSCC=O 62a_100000210623_200015260668 [0,0,0,0,0,0|2,0,0]=2 73 B6R0.6 C=CCSCC=O 62a_200015260668_100000210623 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|3,0,1]=4 78 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|2,0,2]=4 80 B6R0.6 C=CCSCOC 62a_100000210623_100000766300 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.6 C=CCSCOC 62a_100000766300_100000210623 [0,0,0,0,0,0|4,0,0]=4 82 B6R0.6 C=CCSCSC 62a_100000210623_100011218213 [0,0,0,0,0,0|4,0,0]=4 83 B6R0.6 C=CCSCSC 62a_100011218213_100000210623 [0,0,0,0,0,0|4,0,0]=4 84 B6R0.6 C=COCCNC 2230a_106832991635_100000039644 [0,0,0,0,0,0|4,0,0]=4 85 B6R0.6 C=COCCNC 34a_100102657272_100000039644 [0,0,0,0,0,0|4,0,0]=4 86 B6R0.6 C=COCCNC 7a_106832991635_100000039644 [0,0,0,0,0,0|4,0,0]=4 87 B6R0.6 C=COCCOC 34a_100000033082_200000210301 [0,0,0,0,0,0|4,0,0]=4 88 B6R0.6 C=COCCOC 34a_100138415774_100000039644 [0,0,0,0,0,0|4,0,0]=4 89 B6R0.6 C=COCCO[13CH3] 34a_100000033082_200025704644 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.6 C=COCCSC 62a_100000039644_200000210301 [0,0,0,0,0,0|4,0,0]=4 91 B6R0.6 C=COCCSC 62a_200000210301_100000039644 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.6 C=COCCS[13CH3] 62a_100000039644_200025704644 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.6 C=COCCS[13CH3] 62a_200025704644_100000039644 [0,0,0,0,0,0|4,0,0]=4 94 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|3,0,1]=4 95 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|3,0,1]=4 96 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|3,0,1]=4 98 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|3,0,1]=4 100 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|3,0,1]=4 101 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|3,0,1]=4 105 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|2,0,1]=3 110 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|2,0,1]=3 111 B6R0.6 CNCCCC#N 2230a_106832991635_100000687738 [0,0,0,0,0,0|3,0,1]=4 112 B6R0.6 CNCCCC#N 7a_106832991635_100000687738 [0,0,0,0,0,0|3,0,1]=4 113 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [0,0,0,0,0,0|2,0,0]=2 114 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [0,0,0,0,0,0|2,0,0]=2 115 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|2,0,2]=4 119 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|2,0,2]=4 120 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|2,0,2]=4 121 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|2,0,2]=4 122 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|2,0,2]=4 123 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [0,0,0,0,0,0|4,0,0]=4 124 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [0,0,0,0,0,0|4,0,0]=4 125 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [0,0,0,0,0,0|4,0,0]=4 128 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [0,0,0,0,0,0|4,0,0]=4 129 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|3,0,1]=4 132 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|3,0,1]=4 133 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|3,0,1]=4 134 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|3,0,1]=4 135 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|3,0,1]=4 136 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|3,0,1]=4 137 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|3,0,1]=4 138 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|2,0,2]=4 139 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [0,0,0,0,0,0|4,0,0]=4 140 B6R0.6 COCCCOC 34a_100000740835_200000210301 [0,0,0,0,0,0|4,0,0]=4 141 B6R0.6 COCCCOC 34a_100138415774_100000740836 [0,0,0,0,0,0|4,0,0]=4 142 B6R0.6 COCCCO[13CH3] 34a_100000740835_200025704644 [0,0,0,0,0,0|4,0,0]=4 143 B6R0.6 COCCCSC 34a_100000690336_200000210301 [0,0,0,0,0,0|4,0,0]=4 144 B6R0.6 COCCCSC 62a_100000709357_200000210301 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.6 COCCCSC 62a_200000210301_100000709357 [0,0,0,0,0,0|4,0,0]=4 146 B6R0.6 COCCCSC 7a_100000690336_200000210301 [0,0,0,0,0,0|4,0,0]=4 147 B6R0.6 COCCCS[13CH3] 62a_100000709357_200025704644 [0,0,0,0,0,0|4,0,0]=4 148 B6R0.6 COCCCS[13CH3] 62a_200025704644_100000709357 [0,0,0,0,0,0|4,0,0]=4 149 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [0,0,0,0,0,0|3,0,0]=3 150 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [0,0,0,0,0,0|3,0,0]=3 151 B6R0.6 CSCCCC#N 62a_100000687738_200000210301 [0,0,0,0,0,0|3,0,1]=4 152 B6R0.6 CSCCCC#N 62a_200000210301_100000687738 [0,0,0,0,0,0|3,0,1]=4 153 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [0,0,0,0,0,0|2,0,0]=2 154 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|2,0,2]=4 158 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|2,0,2]=4 159 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [0,0,0,0,0,0|4,0,0]=4 160 B6R0.6 CSCCCO[13CH3] 34a_100000690336_200025704644 [0,0,0,0,0,0|4,0,0]=4 161 B6R0.6 CSCCCO[13CH3] 7a_100000690336_200025704644 [0,0,0,0,0,0|4,0,0]=4 162 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [0,0,0,0,0,0|3,0,0]=3 163 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [0,0,0,0,0,0|3,0,0]=3 164 B6R0.6 N#CCSCC=O 62a_100011215382_200015260668 [0,0,0,0,0,0|2,0,1]=3 165 B6R0.6 N#CCSCC=O 62a_200015260668_100011215382 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|2,0,1]=3 167 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|2,0,1]=3 168 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|1,0,2]=3 169 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|1,0,2]=3 170 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|2,0,1]=3 171 B6R0.6 O=CCSCC=O 62a_200015260668_200015260668 [0,0,0,0,0,0|1,0,0]=1 172 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|2,0,1]=3 173 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|2,0,1]=3 174 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|1,0,2]=3 175 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|1,0,2]=3 176 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|2,0,2]=4 177 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|2,0,2]=4 178 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|3,0,1]=4 182 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.6 [13CH3]SCCCC#N 62a_100000687738_200025704644 [0,0,0,0,0,0|3,0,1]=4 186 B6R0.6 [13CH3]SCCCC#N 62a_200025704644_100000687738 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [0,0,0,0,0,0|2,0,0]=2 188 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [0,0,0,0,0,0|2,0,0]=2 189 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|3,0,1]=4 190 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|3,0,1]=4 191 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|2,0,2]=4 192 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|2,0,2]=4 193 B5R0.2 C=CCCNC 2230a_100015191253_200000210301 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.2 C=CCCNC 2230a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.2 C=CCCNC 34a_100102657272_100000754431 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.2 C=CCCNC 7a_106832991635_100000754431 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.2 C=CCCN[13CH3] 2230a_100015191253_200025704644 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.2 C=CCCSC 62a_100000754431_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 C=CCCSC 62a_200000210301_100000754431 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.2 C=CCCS[13CH3] 62a_100000754431_200025704644 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.2 C=CCCS[13CH3] 62a_200025704644_100000754431 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 211 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.2 C=CCSCF 62a_100000210623_100015361967 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.2 C=CCSCF 62a_100015361967_100000210623 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 222 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|2,0,1]=4 230 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,1]=3 231 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|1,0,1]=3 232 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|1,0,1]=3 233 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 236 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|3,0,0]=4 237 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|3,0,0]=4 238 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|3,0,0]=4 239 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|3,0,0]=4 244 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|3,0,0]=4 245 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|3,0,0]=4 246 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|3,0,0]=4 247 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.2 O=CCSCF 62a_100015361967_200015260668 [1,0,0,0,0,0|2,0,0]=3 253 B5R0.2 O=CCSCF 62a_200015260668_100015361967 [1,0,0,0,0,0|2,0,0]=3 254 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|3,0,0]=4 259 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|2,0,1]=4 264 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,1,0,0,0,0|2,0,1]=4 266 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.1 C#CCCOCC=C 34a_100011215631_100015514636 [0,1,0,0,0,0|2,0,1]=4 268 B7R0.1 C#CCCOCC=C 34a_200000210373_100000688953 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,1,0,0,0,0|1,0,1]=3 270 B7R0.1 C#CCCSCC=C 62a_100000210623_100000688953 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.1 C#CCCSCC=C 62a_100000688953_100000210623 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.1 C#CCOCCC=C 34a_100000210247_100000754431 [0,1,0,0,0,0|2,0,1]=4 277 B7R0.1 C#CCOCCC=C 34a_100011205117_100000184674 [0,1,0,0,0,0|2,0,1]=4 278 B7R0.1 C#CCSCCC=C 62a_100000038162_100000754431 [0,1,0,0,0,0|2,0,1]=4 279 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [0,1,0,0,0,0|1,0,1]=3 280 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [0,1,0,0,0,0|1,0,1]=3 282 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,1,0,0,0,0|2,0,1]=4 287 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,1,0,0,0,0|1,1,1]=4 295 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,1,0,0,0,0|1,1,1]=4 296 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,1,0,0,0,0|1,1,1]=4 297 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,1,0,0,0,0|1,1,1]=4 298 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,1,0,0,0,0|2,0,1]=4 306 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,1,0,0,0,0|2,0,1]=4 309 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,1,0,0,0,0|2,0,1]=4 311 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,0,0,0,0|1,0,0]=2 315 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|2,0,1]=4 317 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|2,0,1]=4 318 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|1,0,2]=4 320 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|1,0,2]=4 321 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|3,0,0]=4 322 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.1 C=CCCOCC=C 34a_100011205117_100015514636 [0,1,0,0,0,0|2,0,0]=3 324 B7R0.1 C=CCCOCC=C 34a_200000210373_100000754431 [0,1,0,0,0,0|2,0,0]=3 325 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|1,0,2]=4 332 B7R0.1 C=CCCOCSC 34a_100011205117_100011218213 [0,1,0,0,0,0|3,0,0]=4 333 B7R0.1 C=CCCSCC#N 62a_100000754431_100011215382 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.1 C=CCCSCC#N 62a_100011215382_100000754431 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.1 C=CCCSCC=C 62a_100000210623_100000754431 [0,1,0,0,0,0|2,0,0]=3 336 B7R0.1 C=CCCSCC=C 62a_100000754431_100000210623 [0,1,0,0,0,0|2,0,0]=3 337 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|1,0,2]=4 344 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|1,0,2]=4 345 B7R0.1 C=CCCSCOC 62a_100000754431_100000766300 [0,1,0,0,0,0|3,0,0]=4 346 B7R0.1 C=CCCSCOC 62a_100000766300_100000754431 [0,1,0,0,0,0|3,0,0]=4 347 B7R0.1 C=CCCSCSC 62a_100000754431_100011218213 [0,1,0,0,0,0|3,0,0]=4 348 B7R0.1 C=CCCSCSC 62a_100011218213_100000754431 [0,1,0,0,0,0|3,0,0]=4 349 B7R0.1 C=CCNCC=CC 2230a_100020586998_100000070051 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,1,0,0,0,0|2,0,1]=4 351 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|2,0,1]=4 355 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|2,0,1]=4 357 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|3,0,0]=4 361 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|3,0,0]=4 362 B7R0.1 C=CCOC/C=C/C 34a_100016270725_100015514636 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.1 C=CCOC/C=C/C 34a_200000210373_100102629194 [0,1,0,0,0,0|2,0,1]=4 364 B7R0.1 C=CCOCC=CC 34a_200000210373_100000070051 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.1 C=CCOCCOC 34a_100000037705_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B7R0.1 C=CCOCCOC 34a_100000210237_100015514636 [0,1,0,0,0,0|3,0,0]=4 376 B7R0.1 C=CCOCCOC 34a_200000210373_100011201679 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.1 C=CCOCCOC 7a_100000037705_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.1 C=CCOCCO[13CH3] 34a_100000037705_200025704644 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.1 C=CCOCCO[13CH3] 7a_100000037705_200025704644 [0,1,0,0,0,0|3,0,0]=4 381 B7R0.1 C=CCOCCSC 34a_100000230434_100015514636 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.1 C=CCOCCSC 34a_200000210373_100000212216 [0,1,0,0,0,0|3,0,0]=4 383 B7R0.1 C=CCOCCSC 7a_100000230434_100015514636 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.1 C=CCSC/C=C/C 62a_100000210623_100102629194 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.1 C=CCSC/C=C/C 62a_100102629194_100000210623 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.1 C=CCSCC=CC 62a_100000070051_100000210623 [0,1,0,0,0,0|2,0,1]=4 387 B7R0.1 C=CCSCC=CC 62a_100000210623_100000070051 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.1 C=CCSCCC#N 62a_100000210623_100011215226 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.1 C=CCSCCC#N 62a_100011215226_100000210623 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,1,0,0,0,0|2,0,1]=4 392 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,1,0,0,0,0|2,0,1]=4 393 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,1,0,0,0,0|2,0,1]=4 394 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,1,0,0,0,0|1,0,2]=4 395 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,1,0,0,0,0|1,0,2]=4 396 B7R0.1 C=CCSCCOC 62a_100000210623_100000233755 [0,1,0,0,0,0|3,0,0]=4 397 B7R0.1 C=CCSCCOC 62a_100000233755_100000210623 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.1 C=CCSCCSC 62a_100000210623_100000751147 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.1 C=CCSCCSC 62a_100000212216_100000210623 [0,1,0,0,0,0|3,0,0]=4 400 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,1,0,0,0,0|3,0,0]=4 403 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,1,0,0,0,0|3,0,0]=4 404 B7R0.1 CC#CCNCC=O 2230a_100000685387_200015260668 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.1 CC#CCNCC=O 34a_100000685387_200009817547 [0,1,0,0,0,0|1,0,2]=4 406 B7R0.1 CC#CCOCC=O 34a_100000761923_200009817547 [0,1,0,0,0,0|1,0,2]=4 407 B7R0.1 CC#CCSCC=O 62a_100000748600_200015260668 [0,1,0,0,0,0|1,0,2]=4 408 B7R0.1 CC#CCSCC=O 62a_200015260668_100000748600 [0,1,0,0,0,0|1,0,2]=4 409 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,1,0,0,0,0|3,0,0]=4 411 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [0,1,0,0,0,0|1,0,1]=3 412 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [0,1,0,0,0,0|1,0,1]=3 413 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|1,0,1]=3 414 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,1,0,0,0,0|1,0,1]=3 416 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,1,0,0,0,0|1,0,1]=3 417 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,1,0,0,0,0|1,0,1]=3 418 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,1,0,0,0,0|1,0,1]=3 419 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,1,0,0,0,0|1,0,1]=3 420 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,1,0,0,0,0|2,0,1]=4 421 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,1,0,0,0,0|1,0,1]=3 423 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,1,0,0,0,0|1,0,1]=3 424 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,1,0,0,0,0|1,0,1]=3 425 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,1,0,0,0,0|1,0,1]=3 426 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,1,0,0,0,0|0,1,1]=3 431 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,1,0,0,0,0|0,1,1]=3 432 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|2,0,0]=3 433 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,1,0,0,0,0|2,0,0]=3 434 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,1,0,0,0,0|2,0,0]=3 435 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,1,0,0,0,0|2,0,0]=3 437 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,1,0,0,0,0|1,0,1]=3 438 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,1,0,0,0,0|1,0,1]=3 439 B7R0.1 N#CSCSCC=O 62a_100000211825_200015260668 [0,1,0,0,0,0|2,0,1]=4 440 B7R0.1 N#CSCSCC=O 62a_200015260668_100000211825 [0,1,0,0,0,0|2,0,1]=4 441 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,1,0,0,0,0|1,0,1]=3 442 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,1,0,0,0,0|2,0,0]=3 443 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,1,0,0,0,0|1,0,1]=3 444 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,1,0,0,0,0|1,0,1]=3 445 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|1,0,1]=3 447 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,1,0,0,0,0|1,0,1]=3 448 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,1,0,0,0,0|1,0,1]=3 450 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,1,0,0,0,0|1,0,1]=3 451 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,1,0,0,0,0|1,0,1]=3 452 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,1,0,0,0,0|0,0,2]=3 453 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,1,0,0,0,0|0,0,2]=3 454 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,1,0,0,0,0|0,1,1]=3 455 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,1,0,0,0,0|0,1,1]=3 456 B7R0.3 C#CC(C)NCC=O 2230a_100000707721_200015260668 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.3 C#CC(C)NCC=O 34a_100000707721_200009817547 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.3 C#CC(C)SCC=O 62a_200000035995_200015260668 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.3 C=CC(C)SCC=O 62a_100011215867_200015260668 [0,1,0,0,0,0|2,0,0]=3 463 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [0,1,0,0,0,0|2,0,1]=4 464 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,1,0,0,0,0|3,0,0]=4 467 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.3 C=CCSC(C)C=C 62a_100011215867_100000210623 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.3 CC(C#N)NCC=O 2230a_100000737613_200015260668 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.3 CC(C#N)SCC=O 62a_100000703298_200015260668 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.3 CC(C#N)SCC=O 62a_200015260668_100000703298 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [0,1,0,0,0,0|1,0,2]=4 479 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|1,0,2]=4 486 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [0,1,0,0,0,0|1,0,2]=4 487 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [0,1,0,0,0,0|1,0,2]=4 488 B7R0.3 N#CC(F)SCC=O 62a_200000117898_200015260668 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.3 N#CC(F)SCC=O 62a_200015260668_200000117898 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,1,0,0,0,0|1,0,1]=3 491 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,1,0,0,0,0|1,0,1]=3 492 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,1,0,0,0,0|1,0,1]=3 493 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 494 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 495 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,1,0,0,0,0|2,0,1]=4 496 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,1,0,0,0,0|2,0,1]=4 497 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,1,0,0,0,0|2,0,1]=4 498 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,1,0,0,0,0|2,0,1]=4 499 B7R0.4 C#CCNCC(=O)O 269956a_100016091260_100000184674 [0,1,0,0,0,0|2,0,1]=4 500 B7R0.4 C#CCNCC(=O)[O-] 34a_100000212058_100020667443 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.4 C#CCOCC(=O)C 1458a_100011251226_200000210301 [0,1,0,0,0,0|2,0,1]=4 502 B7R0.4 C#CCOCC(=O)C 34a_100000211253_100000184674 [0,1,0,0,0,0|2,0,1]=4 503 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,1,0,0,0,0|2,0,1]=4 504 B7R0.4 C#CCOCC(=O)[13CH3] 1458a_100011251226_200025704644 [0,1,0,0,0,0|2,0,1]=4 505 B7R0.4 C#CCOCC(=O)[O-] 34a_100000210247_100020667443 [0,1,0,0,0,0|2,0,1]=4 506 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,1,0,0,0,0|2,0,1]=4 507 B7R0.4 C#CCSCC(=O)[O-] 62a_100000038162_100020667443 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.4 C=C(C)COCC=O 34a_100000210245_200009817547 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.4 C=C(C)CSCC=O 62a_100000748629_200015260668 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.4 C=C(C)CSCC=O 62a_200015260668_100000211660 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.4 C=C(F)COCC=O 34a_200010262243_200009817547 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.4 C=C(F)CSCC=O 62a_100000042424_200015260668 [0,1,0,0,0,0|2,0,0]=3 513 B7R0.4 C=C(F)CSCC=O 62a_200015260668_100000042424 [0,1,0,0,0,0|2,0,0]=3 514 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,1,0,0,0,0|1,0,0]=2 515 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,1,0,0,0,0|1,0,0]=2 516 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,1,0,0,0,0|1,0,0]=2 517 B7R0.4 C=CCCCN(C)C 2230a_100102631434_100011713584 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.4 C=CCCCN(C)C 269982a_100102631434_100000757094 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 520 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 521 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,1,0,0,0,0|2,0,0]=3 522 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,1,0,0,0,0|2,0,0]=3 523 B7R0.4 C=CCNCC(=C)C 2230a_100020586998_100000748629 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.4 C=CCNCC(=C)F 2230a_100020586998_100009893438 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,1,0,0,0,0|2,0,0]=3 527 B7R0.4 C=CCNCC(=O)O 269956a_100016091260_100000210623 [0,1,0,0,0,0|2,0,0]=3 528 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.4 C=CCOCC(=C)C 34a_100000210245_100015514636 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.4 C=CCOCC(=C)C 34a_200000210373_100000748629 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.4 C=CCOCC(=C)F 34a_200000210373_100009893438 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.4 C=CCOCC(=C)F 34a_200010262243_100015514636 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [0,1,0,0,0,0|2,0,0]=3 534 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.4 C=CCOCC(=O)[O-] 34a_200000210373_100020667443 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.4 C=CCOC[N+](=O)[O-] 34a_200000210373_100000761209 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.4 C=CCSCC(=C)C 62a_100000210623_100000211660 [0,1,0,0,0,0|3,0,0]=4 538 B7R0.4 C=CCSCC(=C)C 62a_100000748629_100000210623 [0,1,0,0,0,0|3,0,0]=4 539 B7R0.4 C=CCSCC(=C)F 62a_100000042424_100000210623 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.4 C=CCSCC(=C)F 62a_100000210623_100000042424 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.4 C=CCSCC(=O)[O-] 62a_100000210623_100020667443 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.4 C=CCSCC(=O)[O-] 62a_100020667443_100000210623 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.4 C=CCSC[N+](=O)[O-] 62a_100000210623_100000761209 [0,1,0,0,0,0|3,0,0]=4 548 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,1,0,0,0,0|1,0,1]=3 550 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,1,0,0,0,0|1,0,1]=3 551 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,1,0,0,0,0|1,0,1]=3 552 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,1,0,0,0,0|0,0,2]=3 553 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,1,0,0,0,0|0,0,2]=3 554 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,1,0,0,0,0|2,0,0]=3 558 B7R0.4 CC(=O)CCN=[N+]=[N-] 1458a_100000688302_200000210301 [0,1,0,0,0,0|3,0,0]=4 559 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 560 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,1,0,0,0,0|2,0,1]=4 561 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,1,0,0,0,0|2,0,1]=4 562 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,1,0,0,0,0|2,0,1]=4 563 B7R0.4 CC(=O)COCC=O 34a_100000211253_200009817547 [0,1,0,0,0,0|1,0,0]=2 564 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,1,0,0,0,0|2,0,1]=4 565 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,1,0,0,0,0|1,0,2]=4 566 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,1,0,0,0,0|1,0,2]=4 567 B7R0.4 CC(=O)CSCC#N 1458a_100000150266_200000210301 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 569 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 570 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 574 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,1,0,0,0,0|1,0,2]=4 577 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,1,0,0,0,0|1,0,2]=4 578 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,1,0,0,0,0|3,0,0]=4 579 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,1,0,0,0,0|3,0,0]=4 580 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,1,0,0,0,0|3,0,0]=4 581 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.4 CC(Br)COCC=O 34a_100012180447_200009817547 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|2,0,1]=4 587 B7R0.4 CC(C)COCC=O 34a_100000210257_200009817547 [0,1,0,0,0,0|2,0,1]=4 588 B7R0.4 CC(C)CSCC=O 62a_100000210624_200015260668 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.4 CC(C)CSCC=O 62a_200015260668_100000210760 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.4 CC(F)COCC=O 34a_100015925927_200009817547 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|1,0,2]=4 592 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|1,0,2]=4 593 B7R0.4 CC(O)CSCC=O 62a_100011218427_200015260668 [0,1,0,0,0,0|1,0,2]=4 594 B7R0.4 CC(O)CSCC=O 62a_200015260668_100011218427 [0,1,0,0,0,0|1,0,2]=4 595 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,1,0,0,0,0|1,0,1]=3 596 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,1,0,0,0,0|1,0,1]=3 597 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,1,0,0,0,0|1,0,1]=3 598 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 600 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,1,0,0,0,0|2,0,1]=4 601 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,1,0,0,0,0|2,0,1]=4 602 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|2,0,1]=4 603 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|2,0,1]=4 604 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,1,0,0,0,0|2,0,1]=4 605 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,1,0,0,0,0|2,0,1]=4 608 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,1,0,0,0,0|2,0,1]=4 609 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,1,0,0,0,0|2,0,1]=4 610 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,1,0,0,0,0|2,0,1]=4 612 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,1,0,0,0,0|2,0,1]=4 613 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,1,0,0,0,0|2,0,1]=4 614 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,1,0,0,0,0|2,0,1]=4 615 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,1,0,0,0,0|2,0,1]=4 619 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,1,0,0,0,0|2,0,1]=4 621 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,1,0,0,0,0|2,0,1]=4 625 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,1,0,0,0,0|2,0,1]=4 626 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,1,0,0,0,0|2,0,1]=4 627 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,1,0,0,0,0|2,0,1]=4 628 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,1,0,0,0,0|2,0,1]=4 629 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,1,0,0,0,0|2,0,1]=4 630 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.4 CN(C)CCCC=O 2230a_100102631434_200011292268 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.4 CN(C)CCCC=O 269982a_100102631434_200011292268 [0,1,0,0,0,0|2,0,0]=3 633 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,1,0,0,0,0|3,0,0]=4 639 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,1,0,0,0,0|3,0,0]=4 640 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,1,0,0,0,0|3,0,0]=4 643 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,1,0,0,0,0|3,0,0]=4 644 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,1,0,0,0,0|3,0,0]=4 646 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,1,0,0,0,0|3,0,0]=4 648 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,1,0,0,0,0|3,0,0]=4 649 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,1,0,0,0,0|2,0,0]=3 650 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,1,0,0,0,0|2,0,0]=3 651 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,1,0,0,0,0|2,0,0]=3 655 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,1,0,0,0,0|3,0,0]=4 662 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,1,0,0,0,0|3,0,0]=4 665 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,1,0,0,0,0|3,0,0]=4 666 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,1,0,0,0,0|3,0,0]=4 667 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,1,0,0,0,0|3,0,0]=4 668 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,1,0,0,0,0|3,0,0]=4 671 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,1,0,0,0,0|2,0,0]=3 673 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,1,0,0,0,0|2,0,0]=3 674 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,1,0,0,0,0|2,0,0]=3 675 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,1,0,0,0,0|2,0,0]=3 676 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 680 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,1,0,0,0,0|3,0,0]=4 681 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,1,0,0,0,0|3,0,0]=4 682 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,1,0,0,0,0|3,0,0]=4 683 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,1,0,0,0,0|3,0,0]=4 684 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,1,0,0,0,0|3,0,0]=4 688 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,1,0,0,0,0|3,0,0]=4 689 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,1,0,0,0,0|3,0,0]=4 690 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,1,0,0,0,0|3,0,0]=4 692 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,1,0,0,0,0|3,0,0]=4 693 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,1,0,0,0,0|3,0,0]=4 694 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,1,0,0,0,0|3,0,0]=4 695 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,1,0,0,0,0|3,0,0]=4 696 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,1,0,0,0,0|3,0,0]=4 697 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.4 C[C@@H](N)COCC=O 34a_100000737577_200009817547 [0,1,0,0,0,0|2,0,1]=4 699 B7R0.4 C[C@@H](O)CSCC=O 62a_100009817552_200015260668 [0,1,0,0,0,0|1,0,2]=4 700 B7R0.4 C[C@@H](O)CSCC=O 62a_200015260668_100009817552 [0,1,0,0,0,0|1,0,2]=4 701 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,1,0,0,0,0|2,0,1]=4 702 B7R0.4 N#CCNCC(=O)O 269956a_100016091260_100011215382 [0,1,0,0,0,0|2,0,1]=4 703 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,1,0,0,0,0|2,0,1]=4 704 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,1,0,0,0,0|2,0,1]=4 705 B7R0.4 N#CCSCC(=O)[O-] 62a_100011215382_100020667443 [0,1,0,0,0,0|2,0,1]=4 706 B7R0.4 N#CCSCC(=O)[O-] 62a_100020667443_100011215382 [0,1,0,0,0,0|2,0,1]=4 707 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,1,0,0,0,0|2,0,1]=4 709 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,1,0,0,0,0|2,0,1]=4 711 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,1,0,0,0,0|1,0,0]=2 712 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|1,0,2]=4 715 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|1,0,2]=4 716 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|1,0,2]=4 717 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,1,0,0,0,0|1,0,0]=2 719 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,1,0,0,0,0|1,0,0]=2 720 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,1,0,0,0,0|1,0,2]=4 724 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|1,0,2]=4 728 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|1,0,2]=4 730 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,1,0,0,0,0|2,0,1]=4 732 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,1,0,0,0,0|2,0,1]=4 733 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,1,0,0,0,0|1,0,2]=4 734 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,1,0,0,0,0|1,0,2]=4 735 B7R0.4 O=CCNCC(=O)O 269956a_100016091260_200015260668 [0,1,0,0,0,0|1,0,0]=2 736 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|2,0,1]=4 737 B7R0.4 O=CCOCC(F)F 34a_100000743014_200009817547 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.4 O=CCSCC(=O)[O-] 62a_100020667443_200015260668 [0,1,0,0,0,0|1,0,0]=2 739 B7R0.4 O=CCSCC(=O)[O-] 62a_200015260668_100020667443 [0,1,0,0,0,0|1,0,0]=2 740 B7R0.4 O=CCSCC(F)F 62a_100011934356_200015260668 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.4 O=CCSCC(F)F 62a_200015260668_100011934356 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.4 O=CCSC[N+](=O)[O-] 62a_200015260668_100000761209 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,1,0,0,0,0|0,0,2]=3 745 B7R0.4 [13CH3]C(=O)CCN=[N+]=[N-] 1458a_100000688302_200025704644 [0,1,0,0,0,0|3,0,0]=4 746 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,1,0,0,0,0|1,0,2]=4 747 B7R0.4 [13CH3]C(=O)CSCC#N 1458a_100000150266_200025704644 [0,1,0,0,0,0|2,0,1]=4 748 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,1,0,0,0,0|2,0,0]=3 749 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,1,0,0,0,0|3,0,0]=4 751 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,1,0,0,0,0|3,0,0]=4 753 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,1,0,0,0,0|2,0,0]=3 754 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,1,0,0,0,0|3,0,0]=4 756 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,1,0,0,0,0|3,0,0]=4 757 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,1,0,0,0,0|3,0,0]=4 758 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.7 C#CCN(C)CC=O 2230a_100000225692_200015260668 [0,1,0,0,0,0|2,0,1]=4 760 B7R0.7 C#CCN(C)CC=O 34a_100000225692_200009817547 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.7 C=CCC(=O)CC=C 1458a_100000210193_100000210623 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,1,0,0,0,0|3,0,0]=4 763 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,1,0,0,0,0|3,0,0]=4 764 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,1,0,0,0,0|3,0,0]=4 765 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,1,0,0,0,0|3,0,0]=4 766 B7R0.7 C=CCN(C)CC=C 2230a_100000210471_200000210301 [0,1,0,0,0,0|3,0,0]=4 767 B7R0.7 C=CCN(C)CC=C 2230a_100000225617_100000210623 [0,1,0,0,0,0|3,0,0]=4 768 B7R0.7 C=CCN(C)CC=C 269982a_100000210471_200000210301 [0,1,0,0,0,0|3,0,0]=4 769 B7R0.7 C=CCN(C)CC=C 269982a_100000225617_100000210623 [0,1,0,0,0,0|3,0,0]=4 770 B7R0.7 C=CCN(C)CC=O 2230a_100000225617_200015260668 [0,1,0,0,0,0|2,0,0]=3 771 B7R0.7 C=CCN(C)CC=O 269982a_100000225617_200015260668 [0,1,0,0,0,0|2,0,0]=3 772 B7R0.7 C=CCN([13CH3])CC=C 2230a_100000210471_200025704644 [0,1,0,0,0,0|3,0,0]=4 773 B7R0.7 C=CCN([13CH3])CC=C 269982a_100000210471_200025704644 [0,1,0,0,0,0|3,0,0]=4 774 B7R0.7 C=CC[C@@H](N)COC 34a_100020615467_200000210301 [0,1,0,0,0,0|3,0,0]=4 775 B7R0.7 C=CC[C@@H](N)CO[13CH3] 34a_100020615467_200025704644 [0,1,0,0,0,0|3,0,0]=4 776 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.7 CN(CC#N)CC=O 2230a_100000748184_200015260668 [0,1,0,0,0,0|2,0,1]=4 779 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|1,0,2]=4 780 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|1,0,2]=4 781 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|2,0,1]=4 782 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|2,0,1]=4 783 B7R1.7 O=CCSC1CC1 62a_200015260668_100000211595 [0,0,0,1,0,0|2,0,1]=4 784 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|2,0,0]=3 785 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|2,0,0]=3 786 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,0]=3 787 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|2,0,0]=3 788 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|2,0,0]=3 789 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|2,0,0]=3 790 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|2,0,0]=3 791 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 792 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 793 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 794 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 795 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 796 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 797 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 798 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 799 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 800 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 801 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 802 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 803 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 804 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 805 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 806 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 807 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 808 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 809 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 810 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 811 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 812 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 813 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 814 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 815 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 816 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 817 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 818 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 819 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 820 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 821 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|0,0,2]=4 824 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|0,0,2]=4 825 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|0,0,2]=4 826 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|0,0,1]=3 828 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|0,0,1]=3 829 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|0,0,1]=3 830 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 831 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,1,0,0,0,0|1,0,1]=4 833 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 834 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 835 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 836 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|0,0,1]=3 837 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 838 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,1]=4 840 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,1]=4 841 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 842 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 843 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 844 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 846 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 847 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 848 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|1,0,1]=4 850 B6R0.4 CC(C)OCC=O 34a_100000212225_200009817547 [1,1,0,0,0,0|1,0,1]=4 851 B6R0.4 CC(C)SCC=O 62a_100000210206_200015260668 [1,1,0,0,0,0|1,0,1]=4 852 B6R0.4 CC(C)SCC=O 62a_200015260668_100000210206 [1,1,0,0,0,0|1,0,1]=4 853 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 855 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|0,0,1]=3 857 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|0,0,1]=3 858 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|0,0,1]=3 859 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 860 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 861 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 864 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 865 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,1]=4 868 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|1,0,1]=4 871 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,1]=4 872 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,1]=4 873 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,1]=4 875 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,1]=4 883 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 884 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,1]=4 885 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,1]=4 892 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,1]=4 893 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,1]=4 896 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 898 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|2,0,0]=4 899 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|2,0,0]=4 900 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|2,0,0]=4 901 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 902 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,1]=4 904 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,1]=4 905 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,1]=4 906 B8R0.1 C#CCC(C)OCC=O 34a_100000685586_200009817547 [0,2,0,0,0,0|1,0,1]=4 907 B8R0.1 C#CCC(C)OCC=O 7a_100000685586_200015260668 [0,2,0,0,0,0|1,0,1]=4 908 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [0,2,0,0,0,0|1,0,1]=4 909 B8R0.1 C=CCCC(=O)CC=C 1458a_100000210193_100000754431 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.1 C=CCCC(=O)CC=C 1458a_100000749702_100000210623 [0,2,0,0,0,0|2,0,0]=4 911 B8R0.1 C=CCCN(C)CC=C 2230a_100000225617_100000754431 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.1 C=CCCN(C)CC=C 2230a_100020639649_100000210623 [0,2,0,0,0,0|2,0,0]=4 913 B8R0.1 C=CCCN(C)CC=C 269982a_100000225617_100000754431 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.1 C=CCCN(C)CC=C 269982a_100020639649_100000210623 [0,2,0,0,0,0|2,0,0]=4 915 B8R0.1 C=CCCN(C)CC=O 2230a_100020639649_200015260668 [0,2,0,0,0,0|1,0,0]=3 916 B8R0.1 C=CCCN(C)CC=O 269982a_100020639649_200015260668 [0,2,0,0,0,0|1,0,0]=3 917 B8R0.1 C=CCO[C@H](C)CC=C 34a_100000731007_100015514636 [0,2,0,0,0,0|2,0,0]=4 918 B8R0.1 C=CCO[C@H](C)CC=C 7a_100000731007_100015514636 [0,2,0,0,0,0|2,0,0]=4 919 B8R0.1 C=CC[C@@H](C)OCC=O 34a_100000731007_200009817547 [0,2,0,0,0,0|1,0,0]=3 920 B8R0.1 C=CC[C@@H](C)OCC=O 7a_100000731007_200015260668 [0,2,0,0,0,0|1,0,0]=3 921 B8R0.1 CC(CC#N)SCC=O 62a_100009813641_200015260668 [0,2,0,0,0,0|1,0,1]=4 922 B8R0.1 CC(CC#N)SCC=O 62a_200015260668_100009813641 [0,2,0,0,0,0|1,0,1]=4 923 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,2,0,0,0,0|1,0,1]=4 924 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,2,0,0,0,0|0,0,2]=4 925 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,2,0,0,0,0|0,0,2]=4 926 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,2,0,0,0,0|1,0,1]=4 930 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,2,0,0,0,0|1,0,1]=4 931 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,2,0,0,0,0|1,0,1]=4 932 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,2,0,0,0,0|1,0,1]=4 933 B8R0.1 CN(CC=O)CCC#N 2230a_100000184479_200015260668 [0,2,0,0,0,0|1,0,1]=4 934 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,2,0,0,0,0|0,0,2]=4 935 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,2,0,0,0,0|0,0,2]=4 936 B8R0.1 COCC(C)SCC=O 62a_100000765312_200015260668 [0,2,0,0,0,0|2,0,0]=4 937 B8R0.1 COCC(C)SCC=O 62a_200015260668_100000765312 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.1 COCCN(C)CC=O 2230a_100000743101_200015260668 [0,2,0,0,0,0|2,0,0]=4 939 B8R0.1 COCCN(C)CC=O 269982a_100000743101_200015260668 [0,2,0,0,0,0|2,0,0]=4 940 B8R0.1 COC[C@@H](C)NCC=O 2230a_100000764878_200015260668 [0,2,0,0,0,0|2,0,0]=4 941 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [0,2,0,0,0,0|2,0,0]=4 942 B8R0.1 CSCCN(C)CC=O 2230a_100000686725_200015260668 [0,2,0,0,0,0|2,0,0]=4 943 B8R0.1 CSCCN(C)CC=O 269982a_100000686725_200015260668 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.1 C[C@@H](CC#N)NCC=O 2230a_100016994482_200015260668 [0,2,0,0,0,0|1,0,1]=4 945 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,2,0,0,0,0|0,0,2]=4 946 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|0,0,2]=4 947 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,2,0,0,0,0|1,0,1]=4 949 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,2,0,0,0,0|1,0,1]=4 950 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [0,2,0,0,0,0|1,0,1]=4 953 B8R0.4 C/C=C/CCOCC=O 34a_100016278192_200009817547 [0,2,0,0,0,0|1,0,0]=3 954 B8R0.4 C=CCCCNCC=C 2230a_100000700776_100000210623 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.4 C=CCCCNCC=C 2230a_100020586998_100011713584 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.4 C=CCCCNCC=C 34a_100000700776_100015514636 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,2,0,0,0,0|1,0,0]=3 959 B8R0.4 C=CCCCOCC=C 34a_100000758997_100015514636 [0,2,0,0,0,0|2,0,0]=4 960 B8R0.4 C=CCCCOCC=C 34a_200000210373_100000757094 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.4 C=CCCCOCC=C 7a_100000758997_100015514636 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,2,0,0,0,0|1,0,0]=3 963 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,2,0,0,0,0|1,0,0]=3 964 B8R0.4 C=CCCCSCC=C 62a_100000210623_100000757094 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.4 C=CCCCSCC=C 62a_100011713584_100000210623 [0,2,0,0,0,0|2,0,0]=4 966 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,2,0,0,0,0|1,0,0]=3 968 B8R0.4 C=CCCNCC=CC 2230a_100015191253_100000070051 [0,2,0,0,0,0|2,0,0]=4 969 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.4 C=CCCOC/C=C/C 34a_100011205117_100102629194 [0,2,0,0,0,0|2,0,0]=4 971 B8R0.4 C=CCCOC/C=C/C 34a_100016270725_100000754431 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.4 C=CCCOCC=CC 34a_100011205117_100000070051 [0,2,0,0,0,0|2,0,0]=4 973 B8R0.4 C=CCCOCCC=C 34a_100011205117_100000754431 [0,2,0,0,0,0|2,0,0]=4 974 B8R0.4 C=CCCSC/C=C/C 62a_100000754431_100102629194 [0,2,0,0,0,0|2,0,0]=4 975 B8R0.4 C=CCCSC/C=C/C 62a_100102629194_100000754431 [0,2,0,0,0,0|2,0,0]=4 976 B8R0.4 C=CCCSCC=CC 62a_100000070051_100000754431 [0,2,0,0,0,0|2,0,0]=4 977 B8R0.4 C=CCCSCC=CC 62a_100000754431_100000070051 [0,2,0,0,0,0|2,0,0]=4 978 B8R0.4 C=CCCSCCC=C 62a_100000754431_100000754431 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,2,0,0,0,0|1,0,0]=3 980 B8R0.4 C=CCNCCOC=C 2230a_100020586998_100000039644 [0,2,0,0,0,0|2,0,0]=4 981 B8R0.4 C=CCOCC/C=C/C 34a_100016278192_100015514636 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.4 C=CCOCCOC=C 34a_100000033082_100015514636 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.4 C=CCOCCOC=C 34a_200000210373_100000039644 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,2,0,0,0,0|1,0,0]=3 985 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,2,0,0,0,0|1,0,0]=3 986 B8R0.4 C=CCSCCOC=C 62a_100000039644_100000210623 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.4 C=CCSCCOC=C 62a_100000210623_100000039644 [0,2,0,0,0,0|2,0,0]=4 988 B8R0.4 C=COCCOCC=O 34a_100000033082_200009817547 [0,2,0,0,0,0|1,0,0]=3 989 B8R0.4 C=COCCSCC=O 62a_100000039644_200015260668 [0,2,0,0,0,0|1,0,0]=3 990 B8R0.4 C=COCCSCC=O 62a_200015260668_100000039644 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.4 CC#CCCOCC=O 34a_100000750427_200009817547 [0,2,0,0,0,0|1,0,1]=4 992 B8R0.4 CC/C=C\COCC=O 34a_100016268518_200009817547 [0,2,0,0,0,0|1,0,1]=4 993 B8R0.4 CC/C=C\CSCC=O 62a_100103147603_200015260668 [0,2,0,0,0,0|1,0,1]=4 994 B8R0.4 CC/C=C\CSCC=O 62a_200015260668_100103147603 [0,2,0,0,0,0|1,0,1]=4 995 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,2,0,0,0,0|1,0,1]=4 998 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,2,0,0,0,0|1,0,1]=4 999 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,2,0,0,0,0|1,0,1]=4 1000 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,2,0,0,0,0|1,0,1]=4 1001 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,2,0,0,0,0|1,0,1]=4 1007 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,2,0,0,0,0|1,0,1]=4 1008 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,2,0,0,0,0|1,0,1]=4 1009 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,2,0,0,0,0|0,1,1]=4 1010 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,2,0,0,0,0|0,1,1]=4 1011 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,2,0,0,0,0|1,0,1]=4 1015 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,2,0,0,0,0|1,0,1]=4 1016 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,2,0,0,0,0|1,0,1]=4 1017 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,2,0,0,0,0|0,0,2]=4 1020 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,2,0,0,0,0|0,0,2]=4 1023 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,2,0,0,0,0|0,0,2]=4 1024 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,2,0,0,0,0|0,1,1]=4 1026 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,2,0,0,0,0|0,1,1]=4 1027 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,2,0,0,0,0|0,1,1]=4 1028 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,2,0,0,0,0|0,1,1]=4 1029 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,2,0,0,0,0|0,1,1]=4 1030 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,2,0,0,0,0|0,1,1]=4 1031 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,2,0,0,0,0|0,1,1]=4 1032 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,2,0,0,0,0|1,0,1]=4 1034 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.4 N#CSCCSCC=O 62a_100000034367_200015260668 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.4 N#CSCCSCC=O 62a_200015260668_100000034367 [0,2,0,0,0,0|1,0,1]=4 1038 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,2,0,0,0,0|0,1,1]=4 1040 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,2,0,0,0,0|0,1,1]=4 1041 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,2,0,0,0,0|0,0,0]=2 1043 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,2,0,0,0,0|0,0,0]=2 1044 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,2,0,0,0,0|0,0,2]=4 1047 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,2,0,0,0,0|0,0,2]=4 1048 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,2,0,0,0,0|0,0,2]=4 1049 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,2,0,0,0,0|0,0,2]=4 1050 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,2,0,0,0,0|1,0,1]=4 1053 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,2,0,0,0,0|1,0,1]=4 1054 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,2,0,0,0,0|1,0,1]=4 1055 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,2,0,0,0,0|1,0,1]=4 1056 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,2,0,0,0,0|1,0,1]=4 1057 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,2,0,0,0,0|1,0,1]=4 1058 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,2,0,0,0,0|0,0,2]=4 1059 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,2,0,0,0,0|0,0,2]=4 1060 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,2,0,0,0,0|0,1,1]=4 1061 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,2,0,0,0,0|0,1,1]=4 1062 B8R0.6 C#CC(=O)CCCC#N 1458a_100000211873_100000211468 [0,2,0,0,0,0|1,0,1]=4 1063 B8R0.6 C#CC(=O)CCCC=C 1458a_100000211873_100000757094 [0,2,0,0,0,0|1,0,0]=3 1064 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [0,2,0,0,0,0|0,0,2]=4 1067 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [0,2,0,0,0,0|2,0,0]=4 1068 B8R0.6 C#CC(=O)CCOC=C 1458a_100000211873_100000039644 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.6 C#CCCCC(=O)C#C 1458a_100000211873_100000731252 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [0,2,0,0,0,0|1,0,1]=4 1072 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.6 C#CCCCC(=O)CF 1458a_100000690238_100015361967 [0,2,0,0,0,0|1,0,1]=4 1074 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [0,2,0,0,0,0|1,0,1]=4 1075 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [0,2,0,0,0,0|1,0,1]=4 1076 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 1077 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 1078 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.6 C=C(C#N)CSCC=O 62a_200015260668_100000694840 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [0,2,0,0,0,0|1,0,1]=4 1081 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,2,0,0,0,0|1,0,1]=4 1082 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [0,2,0,0,0,0|1,0,1]=4 1083 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [0,2,0,0,0,0|0,0,2]=4 1084 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [0,2,0,0,0,0|2,0,0]=4 1085 B8R0.6 C=CC(C)COCC=O 34a_100011215527_200009817547 [0,2,0,0,0,0|1,0,0]=3 1086 B8R0.6 C=CC(C)COCC=O 7a_100011215527_200015260668 [0,2,0,0,0,0|1,0,0]=3 1087 B8R0.6 C=CC(O)CSCC=O 62a_100000730141_200015260668 [0,2,0,0,0,0|1,0,0]=3 1088 B8R0.6 C=CC(O)CSCC=O 62a_200015260668_100000730141 [0,2,0,0,0,0|1,0,0]=3 1089 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [0,2,0,0,0,0|1,0,0]=3 1090 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [0,2,0,0,0,0|1,0,0]=3 1091 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [0,2,0,0,0,0|1,0,0]=3 1092 B8R0.6 C=CCCCC(=O)CF 1458a_100000766728_100015361967 [0,2,0,0,0,0|1,0,0]=3 1093 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [0,2,0,0,0,0|1,0,0]=3 1094 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [0,2,0,0,0,0|1,0,0]=3 1095 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 1096 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 1097 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [0,2,0,0,0,0|1,0,0]=3 1098 B8R0.6 C=CCCNC(=O)C=C 1626a_100015191253_100000185746 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.6 C=CCCNC(=O)C=C 240690a_100015191253_200121576911 [0,2,0,0,0,0|2,0,0]=4 1100 B8R0.6 C=CCCNC(=O)CC 11a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1101 B8R0.6 C=CCCNC(=O)CC 1626a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.6 C=CCCNC(=O)CC 240690a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.6 C=CCCNC(=O)CC 527a_100015191253_100000210414 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.6 C=CCCNC(=O)CO 240690a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 1105 B8R0.6 C=CCCNC(=O)CO 527a_100015191253_100000210174 [0,2,0,0,0,0|2,0,0]=4 1106 B8R0.6 C=CCCNC(=O)NC 2708a_100015191253_106832991635 [0,2,0,0,0,0|2,0,0]=4 1107 B8R0.6 C=CCCNC(=O)NC 2708a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 1108 B8R0.6 C=CCCNC(=O)NC 273464a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 1109 B8R0.6 C=CCCNC(=O)NC 273464a_100102657272_100015191253 [0,2,0,0,0,0|2,0,0]=4 1110 B8R0.6 C=CCCNC(=O)NC 512a_100015191253_100102657272 [0,2,0,0,0,0|2,0,0]=4 1111 B8R0.6 C=CCCNC(=O)NC 512a_106832991638_100015191253 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.6 C=CCCOC(C)C=C 34a_100000695699_100000754431 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.6 C=CCCSC(C)C=C 62a_100011215867_100000754431 [0,2,0,0,0,0|2,0,0]=4 1114 B8R0.6 C=CCNCC(=O)NC 2230a_100000693194_100000210623 [0,2,0,0,0,0|2,0,0]=4 1115 B8R0.6 C=CCNCC(=O)NC 2230a_100020586998_100000183359 [0,2,0,0,0,0|2,0,0]=4 1116 B8R0.6 C=CCNCC(=O)OC 2230a_100020586998_100000747449 [0,2,0,0,0,0|2,0,0]=4 1117 B8R0.6 C=CCNCC(O)C=C 2230a_100020586998_100000730141 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.6 C=CCOCC(=O)CC 34a_100000725409_100015514636 [0,2,0,0,0,0|2,0,0]=4 1119 B8R0.6 C=CCOCC(=O)NC 34a_100000750040_100015514636 [0,2,0,0,0,0|2,0,0]=4 1120 B8R0.6 C=CCOCC(=O)NC 34a_200000210373_100000183359 [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.6 C=CCOCC(=O)OC 34a_200000210373_100000747449 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.6 C=CCOCC(C)C=C 34a_100011215527_100015514636 [0,2,0,0,0,0|2,0,0]=4 1123 B8R0.6 C=CCOCC(C)C=C 7a_100011215527_100015514636 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.6 C=CCOCC(O)C=C 34a_200000210373_100000730141 [0,2,0,0,0,0|2,0,0]=4 1125 B8R0.6 C=CCOC[C@@H](N)C=C 34a_100016989147_100015514636 [0,2,0,0,0,0|2,0,0]=4 1126 B8R0.6 C=CCSCC(=O)CC 1458a_100000230395_100000210202 [0,2,0,0,0,0|2,0,0]=4 1127 B8R0.6 C=CCSCC(=O)CC 62a_100000210623_100000747405 [0,2,0,0,0,0|2,0,0]=4 1128 B8R0.6 C=CCSCC(=O)CC 62a_100000747405_100000210623 [0,2,0,0,0,0|2,0,0]=4 1129 B8R0.6 C=CCSCC(=O)CF 1458a_100000230395_100015361967 [0,2,0,0,0,0|2,0,0]=4 1130 B8R0.6 C=CCSCC(=O)NC 11a_106832991635_100000230395 [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.6 C=CCSCC(=O)NC 1626a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1132 B8R0.6 C=CCSCC(=O)NC 240690a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1133 B8R0.6 C=CCSCC(=O)NC 527a_100102657272_100000230395 [0,2,0,0,0,0|2,0,0]=4 1134 B8R0.6 C=CCSCC(=O)NC 62a_100000183359_100000210623 [0,2,0,0,0,0|2,0,0]=4 1135 B8R0.6 C=CCSCC(=O)NC 62a_100000210623_100000183359 [0,2,0,0,0,0|2,0,0]=4 1136 B8R0.6 C=CCSCC(=O)OC 62a_100000210623_100000747449 [0,2,0,0,0,0|2,0,0]=4 1137 B8R0.6 C=CCSCC(=O)OC 62a_100000747449_100000210623 [0,2,0,0,0,0|2,0,0]=4 1138 B8R0.6 C=CCSCC(O)C=C 62a_100000210623_100000730141 [0,2,0,0,0,0|2,0,0]=4 1139 B8R0.6 C=CCSCC(O)C=C 62a_100000730141_100000210623 [0,2,0,0,0,0|2,0,0]=4 1140 B8R0.6 C=COCCC(=O)C=C 1458a_100000185746_100000039644 [0,2,0,0,0,0|2,0,0]=4 1141 B8R0.6 C=COCCC(=O)CC 1458a_100000210414_100000039644 [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.6 C=COCCC(=O)CO 1458a_100000210174_100000039644 [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.6 C=C[C@H](N)COCC=O 34a_100016989147_200009817547 [0,2,0,0,0,0|1,0,0]=3 1144 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|1,0,1]=4 1145 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,2,0,0,0,0|0,0,2]=4 1146 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [0,2,0,0,0,0|1,0,1]=4 1147 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [0,2,0,0,0,0|1,0,1]=4 1148 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [0,2,0,0,0,0|0,0,2]=4 1150 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [0,2,0,0,0,0|0,0,2]=4 1151 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [0,2,0,0,0,0|2,0,0]=4 1152 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [0,2,0,0,0,0|2,0,0]=4 1153 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [0,2,0,0,0,0|2,0,0]=4 1154 B8R0.6 CCC(=O)COCC=O 34a_100000725409_200009817547 [0,2,0,0,0,0|1,0,0]=3 1155 B8R0.6 CCC(=O)CSCC=O 62a_100000747405_200015260668 [0,2,0,0,0,0|1,0,0]=3 1156 B8R0.6 CCC(=O)CSCC=O 62a_200015260668_100000747405 [0,2,0,0,0,0|1,0,0]=3 1157 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,2,0,0,0,0|1,0,1]=4 1158 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,2,0,0,0,0|1,0,1]=4 1159 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,2,0,0,0,0|1,0,1]=4 1160 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,2,0,0,0,0|1,0,1]=4 1161 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,2,0,0,0,0|1,0,1]=4 1162 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,2,0,0,0,0|1,0,1]=4 1163 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [0,2,0,0,0,0|1,0,1]=4 1164 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [0,2,0,0,0,0|1,0,1]=4 1168 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [0,2,0,0,0,0|1,0,1]=4 1169 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [0,2,0,0,0,0|1,0,1]=4 1170 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [0,2,0,0,0,0|1,0,1]=4 1171 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,2,0,0,0,0|1,0,1]=4 1173 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,2,0,0,0,0|1,0,1]=4 1174 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,2,0,0,0,0|1,0,1]=4 1175 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,2,0,0,0,0|1,0,1]=4 1176 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [0,2,0,0,0,0|1,0,1]=4 1177 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1178 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1179 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [0,2,0,0,0,0|1,0,1]=4 1180 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [0,2,0,0,0,0|0,0,2]=4 1181 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 1182 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [0,2,0,0,0,0|2,0,0]=4 1183 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1185 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1186 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [0,2,0,0,0,0|2,0,0]=4 1187 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [0,2,0,0,0,0|2,0,0]=4 1188 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1190 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [0,2,0,0,0,0|2,0,0]=4 1193 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [0,2,0,0,0,0|2,0,0]=4 1194 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [0,2,0,0,0,0|2,0,0]=4 1195 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [0,2,0,0,0,0|2,0,0]=4 1196 B8R0.6 CNC(=O)CNCC=O 2230a_100000693194_200015260668 [0,2,0,0,0,0|1,0,0]=3 1197 B8R0.6 CNC(=O)COCC=O 34a_100000750040_200009817547 [0,2,0,0,0,0|1,0,0]=3 1198 B8R0.6 CNC(=O)CSCC=O 62a_100000183359_200015260668 [0,2,0,0,0,0|1,0,0]=3 1199 B8R0.6 CNC(=O)CSCC=O 62a_200015260668_100000183359 [0,2,0,0,0,0|1,0,0]=3 1200 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 1201 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 1202 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [0,2,0,0,0,0|2,0,0]=4 1203 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [0,2,0,0,0,0|2,0,0]=4 1204 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [0,2,0,0,0,0|2,0,0]=4 1205 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [0,2,0,0,0,0|2,0,0]=4 1206 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [0,2,0,0,0,0|2,0,0]=4 1208 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [0,2,0,0,0,0|2,0,0]=4 1209 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.6 COC(=O)CSCC=O 62a_100000747449_200015260668 [0,2,0,0,0,0|1,0,0]=3 1213 B8R0.6 COC(=O)CSCC=O 62a_200015260668_100000747449 [0,2,0,0,0,0|1,0,0]=3 1214 B8R0.6 COC(C)COCC=O 34a_100000690652_200009817547 [0,2,0,0,0,0|2,0,0]=4 1215 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [0,2,0,0,0,0|2,0,0]=4 1218 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [0,2,0,0,0,0|2,0,0]=4 1219 B8R0.6 CO[C@H](C)CNCC=O 2230a_100020591295_200015260668 [0,2,0,0,0,0|2,0,0]=4 1220 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,2,0,0,0,0|0,0,2]=4 1222 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,2,0,0,0,0|0,0,2]=4 1223 B8R0.6 N#CCCCC(=O)CF 1458a_100000075515_100015361967 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [0,2,0,0,0,0|0,0,2]=4 1227 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [0,2,0,0,0,0|0,0,2]=4 1229 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,2,0,0,0,0|0,0,2]=4 1230 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,2,0,0,0,0|0,0,2]=4 1231 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,2,0,0,0,0|0,0,2]=4 1233 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,2,0,0,0,0|0,0,2]=4 1234 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,2,0,0,0,0|1,0,1]=4 1235 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,2,0,0,0,0|1,0,1]=4 1236 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,2,0,0,0,0|0,0,2]=4 1237 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,2,0,0,0,0|0,0,2]=4 1238 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [0,2,0,0,0,0|2,0,0]=4 1239 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,2,0,0,0,0|1,0,1]=4 1242 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 1243 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 1244 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,2,0,0,0,0|1,0,1]=4 1245 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,2,0,0,0,0|1,0,1]=4 1246 B8R0.7 C#CCCNCC(=O)N 2230a_100000711301_100000688953 [0,2,0,0,0,0|1,0,1]=4 1247 B8R0.7 C#CCCNCC(=O)N 34a_100000755551_100000187820 [0,2,0,0,0,0|1,0,1]=4 1248 B8R0.7 C#CCCNCC(=O)O 269956a_100016091260_100000688953 [0,2,0,0,0,0|1,0,1]=4 1249 B8R0.7 C#CCCNCC(=O)[O-] 34a_100000755551_100020667443 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.7 C#CCCOCC(=O)C 34a_100000211253_100000688953 [0,2,0,0,0,0|1,0,1]=4 1251 B8R0.7 C#CCCOCC(=O)N 34a_100011215631_100000187820 [0,2,0,0,0,0|1,0,1]=4 1252 B8R0.7 C#CCCOCC(=O)[O-] 34a_100011215631_100020667443 [0,2,0,0,0,0|1,0,1]=4 1253 B8R0.7 C#CCCSCC(=O)N 62a_100000688953_100000747473 [0,2,0,0,0,0|1,0,1]=4 1254 B8R0.7 C#CCCSCC(=O)N 62a_100000747473_100000688953 [0,2,0,0,0,0|1,0,1]=4 1255 B8R0.7 C#CCCSCC(=O)[O-] 62a_100000688953_100020667443 [0,2,0,0,0,0|1,0,1]=4 1256 B8R0.7 C#CCCSCC(=O)[O-] 62a_100020667443_100000688953 [0,2,0,0,0,0|1,0,1]=4 1257 B8R0.7 C#CCNCCC(=O)N 34a_100000212058_100000731001 [0,2,0,0,0,0|1,0,1]=4 1258 B8R0.7 C#CCOCCC(=O)C 1458a_100000070787_100010402529 [0,2,0,0,0,0|1,0,1]=4 1259 B8R0.7 C#CCOCCC(=O)C 1458a_100000693358_200000210301 [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.7 C#CCOCCC(=O)C 34a_100000759926_100000184674 [0,2,0,0,0,0|1,0,1]=4 1261 B8R0.7 C#CCOCCC(=O)C 7a_100000759926_100000038162 [0,2,0,0,0,0|1,0,1]=4 1262 B8R0.7 C#CCOCCC(=O)N 34a_100000210247_100000731001 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.7 C#CCOCCC(=O)N 34a_100000757172_100000184674 [0,2,0,0,0,0|1,0,1]=4 1264 B8R0.7 C#CCOCCC(=O)N 7a_100000757172_100000038162 [0,2,0,0,0,0|1,0,1]=4 1265 B8R0.7 C#CCOCCC(=O)[13CH3] 1458a_100000693358_200025704644 [0,2,0,0,0,0|1,0,1]=4 1266 B8R0.7 C#CCSCCC(=O)C 62a_100000038162_100000053229 [0,2,0,0,0,0|1,0,1]=4 1267 B8R0.7 C#CCSCCC(=O)N 62a_100000038162_100000744528 [0,2,0,0,0,0|1,0,1]=4 1268 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [0,2,0,0,0,0|1,0,1]=4 1270 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [0,2,0,0,0,0|1,0,1]=4 1273 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [0,2,0,0,0,0|1,0,1]=4 1274 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [0,2,0,0,0,0|1,0,1]=4 1276 B8R0.7 C=C(Br)CCOCC=O 34a_100009813270_200009817547 [0,2,0,0,0,0|1,0,0]=3 1277 B8R0.7 C=C(C)CCOCC=O 34a_100000764851_200009817547 [0,2,0,0,0,0|1,0,0]=3 1278 B8R0.7 C=C(C)CCSCC=O 62a_100000730704_200015260668 [0,2,0,0,0,0|1,0,0]=3 1279 B8R0.7 C=C(C)CCSCC=O 62a_200015260668_100000730704 [0,2,0,0,0,0|1,0,0]=3 1280 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,2,0,0,0,0|1,0,0]=3 1282 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,2,0,0,0,0|1,0,0]=3 1283 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,2,0,0,0,0|1,0,0]=3 1284 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,2,0,0,0,0|1,0,0]=3 1285 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,2,0,0,0,0|1,0,0]=3 1286 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,2,0,0,0,0|1,0,0]=3 1287 B8R0.7 C=CCCNCC(=C)C 2230a_100015191253_100000748629 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.7 C=CCCNCC(=C)F 2230a_100015191253_100009893438 [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.7 C=CCCNCC(=O)N 2230a_100000711301_100000754431 [0,2,0,0,0,0|1,0,0]=3 1290 B8R0.7 C=CCCNCC(=O)N 2230a_100015191253_100000747473 [0,2,0,0,0,0|1,0,0]=3 1291 B8R0.7 C=CCCNCC(=O)O 269956a_100016091260_100000754431 [0,2,0,0,0,0|1,0,0]=3 1292 B8R0.7 C=CCCOCC(=C)C 34a_100000210245_100000754431 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.7 C=CCCOCC(=C)C 34a_100011205117_100000748629 [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.7 C=CCCOCC(=C)F 34a_100011205117_100009893438 [0,2,0,0,0,0|2,0,0]=4 1295 B8R0.7 C=CCCOCC(=C)F 34a_200010262243_100000754431 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.7 C=CCCOCC(=O)C 34a_100000211253_100000754431 [0,2,0,0,0,0|1,0,0]=3 1297 B8R0.7 C=CCCOCC(=O)N 34a_100011205117_100000187820 [0,2,0,0,0,0|1,0,0]=3 1298 B8R0.7 C=CCCOCC(=O)[O-] 34a_100011205117_100020667443 [0,2,0,0,0,0|1,0,0]=3 1299 B8R0.7 C=CCCOC[N+](=O)[O-] 34a_100011205117_100000761209 [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.7 C=CCCSCC(=C)C 62a_100000748629_100000754431 [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.7 C=CCCSCC(=C)C 62a_100000754431_100000211660 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.7 C=CCCSCC(=C)F 62a_100000042424_100000754431 [0,2,0,0,0,0|2,0,0]=4 1303 B8R0.7 C=CCCSCC(=C)F 62a_100000754431_100000042424 [0,2,0,0,0,0|2,0,0]=4 1304 B8R0.7 C=CCCSCC(=O)N 62a_100000747473_100000754431 [0,2,0,0,0,0|1,0,0]=3 1305 B8R0.7 C=CCCSCC(=O)N 62a_100000754431_100000747473 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.7 C=CCCSCC(=O)[O-] 62a_100000754431_100020667443 [0,2,0,0,0,0|1,0,0]=3 1307 B8R0.7 C=CCCSCC(=O)[O-] 62a_100020667443_100000754431 [0,2,0,0,0,0|1,0,0]=3 1308 B8R0.7 C=CCCSC[N+](=O)[O-] 62a_100000754431_100000761209 [0,2,0,0,0,0|2,0,0]=4 1309 B8R0.7 C=CCNCCC(=C)C 2230a_100020586998_100000730704 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.7 C=CCNCCC(=O)N 2230a_100020586998_100000744528 [0,2,0,0,0,0|1,0,0]=3 1311 B8R0.7 C=CCNOCC(=O)O 269956a_100000106656_100000210623 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.7 C=CCOCCC(=C)Br 34a_100009813270_100015514636 [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.7 C=CCOCCC(=C)C 34a_100000764851_100015514636 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.7 C=CCOCCC(=C)C 34a_200000210373_100000730704 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [0,2,0,0,0,0|1,0,0]=3 1316 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [0,2,0,0,0,0|1,0,0]=3 1317 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.7 C=CCOCCC(=O)N 34a_100000757172_100015514636 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.7 C=CCOCCC(=O)N 34a_200000210373_100000731001 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.7 C=CCOCCC(=O)N 7a_100000757172_100015514636 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.7 C=CCSCCC(=C)C 62a_100000210623_100000730704 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.7 C=CCSCCC(=C)C 62a_100000730704_100000210623 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [0,2,0,0,0,0|1,0,0]=3 1326 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [0,2,0,0,0,0|1,0,0]=3 1327 B8R0.7 C=CCSCCC(=O)N 62a_100000210623_100000744528 [0,2,0,0,0,0|1,0,0]=3 1328 B8R0.7 C=CCSCCC(=O)N 62a_100000744528_100000210623 [0,2,0,0,0,0|1,0,0]=3 1329 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.7 CC(=CCNCC=O)C 34a_100000718196_200009817547 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.7 CC(=CCOCC=O)C 34a_100000753907_200009817547 [0,2,0,0,0,0|1,0,1]=4 1333 B8R0.7 CC(=CCSCC=O)C 62a_100000761012_200015260668 [0,2,0,0,0,0|1,0,1]=4 1334 B8R0.7 CC(=CCSCC=O)C 62a_200015260668_100000761012 [0,2,0,0,0,0|1,0,1]=4 1335 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,2,0,0,0,0|1,0,1]=4 1336 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,2,0,0,0,0|1,0,1]=4 1337 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,2,0,0,0,0|0,0,2]=4 1338 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,2,0,0,0,0|0,0,2]=4 1339 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,2,0,0,0,0|0,1,1]=4 1340 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,2,0,0,0,0|0,1,1]=4 1341 B8R0.7 CC(=O)CCCN=[N+]=[N-] 1458a_100010262590_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,2,0,0,0,0|1,0,1]=4 1343 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,2,0,0,0,0|1,0,1]=4 1344 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,2,0,0,0,0|1,0,1]=4 1345 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,2,0,0,0,0|1,0,1]=4 1346 B8R0.7 CC(=O)CCOCC#N 1458a_100000070787_200000047693 [0,2,0,0,0,0|1,0,1]=4 1347 B8R0.7 CC(=O)CCOCC#N 7a_100000759926_100011215382 [0,2,0,0,0,0|1,0,1]=4 1348 B8R0.7 CC(=O)CCOCC=O 34a_100000759926_200009817547 [0,2,0,0,0,0|0,0,0]=2 1349 B8R0.7 CC(=O)CCOCC=O 7a_100000759926_200015260668 [0,2,0,0,0,0|0,0,0]=2 1350 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,2,0,0,0,0|0,0,2]=4 1353 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,2,0,0,0,0|0,0,2]=4 1354 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,2,0,0,0,0|0,0,2]=4 1355 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,2,0,0,0,0|0,0,2]=4 1356 B8R0.7 CC(=O)CCSCC#N 62a_100000053229_100011215382 [0,2,0,0,0,0|1,0,1]=4 1357 B8R0.7 CC(=O)CCSCC#N 62a_100011215382_100000053229 [0,2,0,0,0,0|1,0,1]=4 1358 B8R0.7 CC(=O)CCSCC=O 62a_100000053229_200015260668 [0,2,0,0,0,0|0,0,0]=2 1359 B8R0.7 CC(=O)CCSCC=O 62a_200015260668_100000053229 [0,2,0,0,0,0|0,0,0]=2 1360 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,2,0,0,0,0|1,0,1]=4 1361 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,2,0,0,0,0|1,0,1]=4 1362 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,2,0,0,0,0|0,0,2]=4 1363 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,2,0,0,0,0|0,0,2]=4 1364 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,2,0,0,0,0|1,0,1]=4 1365 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,2,0,0,0,0|0,0,2]=4 1366 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,2,0,0,0,0|0,0,2]=4 1367 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,2,0,0,0,0|0,0,2]=4 1368 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [0,2,0,0,0,0|1,0,0]=3 1373 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [0,2,0,0,0,0|1,0,0]=3 1374 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1375 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,2,0,0,0,0|2,0,0]=4 1376 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,2,0,0,0,0|1,0,1]=4 1378 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,2,0,0,0,0|1,0,1]=4 1379 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,2,0,0,0,0|1,0,1]=4 1381 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,2,0,0,0,0|1,0,1]=4 1382 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,2,0,0,0,0|1,0,1]=4 1383 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,2,0,0,0,0|0,0,2]=4 1385 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,2,0,0,0,0|0,0,2]=4 1386 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,2,0,0,0,0|0,0,2]=4 1387 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [0,2,0,0,0,0|1,0,1]=4 1388 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [0,2,0,0,0,0|1,0,1]=4 1390 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [0,2,0,0,0,0|1,0,1]=4 1391 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [0,2,0,0,0,0|1,0,1]=4 1392 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [0,2,0,0,0,0|1,0,1]=4 1393 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [0,2,0,0,0,0|1,0,1]=4 1394 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,2,0,0,0,0|1,0,1]=4 1395 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,2,0,0,0,0|1,0,1]=4 1396 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,2,0,0,0,0|1,0,1]=4 1397 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,2,0,0,0,0|1,0,1]=4 1398 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,2,0,0,0,0|1,0,1]=4 1399 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,2,0,0,0,0|1,0,1]=4 1400 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,2,0,0,0,0|1,0,1]=4 1401 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,2,0,0,0,0|1,0,1]=4 1402 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,2,0,0,0,0|1,0,1]=4 1403 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,2,0,0,0,0|1,0,1]=4 1404 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,2,0,0,0,0|1,0,1]=4 1405 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,2,0,0,0,0|1,0,1]=4 1406 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,2,0,0,0,0|1,0,1]=4 1407 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,2,0,0,0,0|1,0,1]=4 1408 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,2,0,0,0,0|1,0,1]=4 1409 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,2,0,0,0,0|1,0,1]=4 1410 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,2,0,0,0,0|1,0,1]=4 1411 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,2,0,0,0,0|1,0,1]=4 1412 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,2,0,0,0,0|1,0,1]=4 1413 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,2,0,0,0,0|1,0,1]=4 1414 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,2,0,0,0,0|1,0,1]=4 1415 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,2,0,0,0,0|1,0,1]=4 1416 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,2,0,0,0,0|1,0,1]=4 1417 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,2,0,0,0,0|1,0,1]=4 1418 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,2,0,0,0,0|1,0,1]=4 1419 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,2,0,0,0,0|1,0,1]=4 1420 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,2,0,0,0,0|1,0,1]=4 1421 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,2,0,0,0,0|1,0,1]=4 1422 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,2,0,0,0,0|1,0,1]=4 1424 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,2,0,0,0,0|1,0,1]=4 1425 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,2,0,0,0,0|1,0,1]=4 1426 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,2,0,0,0,0|1,0,1]=4 1427 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,2,0,0,0,0|1,0,1]=4 1428 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,2,0,0,0,0|1,0,1]=4 1429 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,2,0,0,0,0|1,0,1]=4 1430 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,2,0,0,0,0|1,0,1]=4 1431 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,2,0,0,0,0|1,0,1]=4 1432 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,2,0,0,0,0|1,0,1]=4 1433 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,2,0,0,0,0|1,0,1]=4 1434 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,2,0,0,0,0|1,0,1]=4 1438 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,2,0,0,0,0|1,0,1]=4 1439 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.7 CN(C)CCSCC=O 62a_200015260668_100000755713 [0,2,0,0,0,0|2,0,0]=4 1441 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,2,0,0,0,0|1,0,1]=4 1442 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,2,0,0,0,0|1,0,1]=4 1443 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,2,0,0,0,0|1,0,1]=4 1444 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,2,0,0,0,0|2,0,0]=4 1450 B8R0.7 CNCCOCC(=O)N 2230a_106832991635_100000076697 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.7 CNCCOCC(=O)N 34a_100102657272_100000076697 [0,2,0,0,0,0|2,0,0]=4 1452 B8R0.7 CNCCOCC(=O)N 7a_106832991635_100000076697 [0,2,0,0,0,0|2,0,0]=4 1453 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [0,2,0,0,0,0|2,0,0]=4 1454 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,2,0,0,0,0|0,0,2]=4 1455 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,2,0,0,0,0|0,0,2]=4 1456 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1457 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,2,0,0,0,0|0,0,2]=4 1458 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,2,0,0,0,0|2,0,0]=4 1462 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.7 COCCNCC(=O)N 2230a_100000209980_100000747473 [0,2,0,0,0,0|2,0,0]=4 1465 B8R0.7 COCCNCC(=O)N 2230a_100000711301_100011201679 [0,2,0,0,0,0|2,0,0]=4 1466 B8R0.7 COCCNCC(=O)O 269956a_100016091260_100000233755 [0,2,0,0,0,0|2,0,0]=4 1467 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [0,2,0,0,0,0|2,0,0]=4 1468 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.7 COCCOCC(=O)N 34a_100000210237_100000187820 [0,2,0,0,0,0|2,0,0]=4 1470 B8R0.7 COCCOCC(=O)N 34a_100138415774_100000076697 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [0,2,0,0,0,0|2,0,0]=4 1472 B8R0.7 COCCOCC(=O)[O-] 34a_100000210237_100020667443 [0,2,0,0,0,0|2,0,0]=4 1473 B8R0.7 COCCSCC(=O)N 62a_100000233755_100000747473 [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.7 COCCSCC(=O)N 62a_100000747473_100000233755 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.7 COCCSCC(=O)[O-] 62a_100000233755_100020667443 [0,2,0,0,0,0|2,0,0]=4 1476 B8R0.7 COCCSCC(=O)[O-] 62a_100020667443_100000233755 [0,2,0,0,0,0|2,0,0]=4 1477 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.7 COCSCCC(=O)N 62a_100000744528_100000766300 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.7 COCSCCC(=O)N 62a_100000766300_100000744528 [0,2,0,0,0,0|2,0,0]=4 1481 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,2,0,0,0,0|0,1,1]=4 1482 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,2,0,0,0,0|0,1,1]=4 1483 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,2,0,0,0,0|2,0,0]=4 1486 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,2,0,0,0,0|2,0,0]=4 1487 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,2,0,0,0,0|2,0,0]=4 1488 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,2,0,0,0,0|2,0,0]=4 1489 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1490 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.7 CSCCNCC(=O)N 2230a_100000711301_100000751147 [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.7 CSCCNCC(=O)N 2230a_100020590264_100000747473 [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.7 CSCCNCC(=O)O 269956a_100016091260_100000212216 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.7 CSCCOCC(=O)N 34a_100000230434_100000187820 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.7 CSCCOCC(=O)N 62a_100000076697_200000210301 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.7 CSCCOCC(=O)N 62a_200000210301_100000076697 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.7 CSCCOCC(=O)N 7a_100000230434_100000187820 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.7 CSCCOCC(=O)[O-] 34a_100000230434_100020667443 [0,2,0,0,0,0|2,0,0]=4 1500 B8R0.7 CSCCSCC(=O)N 62a_100000212216_100000747473 [0,2,0,0,0,0|2,0,0]=4 1501 B8R0.7 CSCCSCC(=O)N 62a_100000747473_100000751147 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.7 CSCCSCC(=O)[O-] 62a_100000212216_100020667443 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.7 CSCCSCC(=O)[O-] 62a_100020667443_100000751147 [0,2,0,0,0,0|2,0,0]=4 1504 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [0,2,0,0,0,0|2,0,0]=4 1505 B8R0.7 CSCOCCC(=O)N 34a_100000757172_100011218213 [0,2,0,0,0,0|2,0,0]=4 1506 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [0,2,0,0,0,0|2,0,0]=4 1507 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.7 CSCSCCC(=O)N 62a_100000744528_100011218213 [0,2,0,0,0,0|2,0,0]=4 1509 B8R0.7 CSCSCCC(=O)N 62a_100011218213_100000744528 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.7 N#CCCNCC(=O)N 2230a_100000711301_100011215226 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.7 N#CCCNCC(=O)O 269956a_100016091260_100011215226 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.7 N#CCCSCC(=O)N 62a_100000747473_100011215226 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.7 N#CCCSCC(=O)N 62a_100011215226_100000747473 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.7 N#CCCSCC(=O)[O-] 62a_100011215226_100020667443 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.7 N#CCCSCC(=O)[O-] 62a_100020667443_100011215226 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.7 N#CCOCCC(=O)N 7a_100000757172_100011215382 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.7 N#CCSCCC(=O)N 62a_100000744528_100011215382 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.7 N#CCSCCC(=O)N 62a_100011215382_100000744528 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,2,0,0,0,0|1,0,1]=4 1522 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,2,0,0,0,0|1,0,1]=4 1523 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|1,0,1]=4 1524 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|0,0,2]=4 1525 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|0,0,2]=4 1526 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,2,0,0,0,0|0,0,0]=2 1527 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,2,0,0,0,0|0,0,0]=2 1528 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,2,0,0,0,0|1,0,1]=4 1529 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,2,0,0,0,0|1,0,1]=4 1530 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,2,0,0,0,0|1,0,1]=4 1531 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,2,0,0,0,0|0,0,2]=4 1532 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,2,0,0,0,0|0,0,2]=4 1533 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,2,0,0,0,0|0,0,0]=2 1534 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,2,0,0,0,0|0,0,0]=2 1535 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,2,0,0,0,0|0,0,2]=4 1538 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,2,0,0,0,0|0,0,2]=4 1539 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,2,0,0,0,0|1,0,1]=4 1540 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,2,0,0,0,0|1,0,1]=4 1541 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,2,0,0,0,0|1,0,1]=4 1542 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,2,0,0,0,0|0,0,2]=4 1543 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,2,0,0,0,0|1,0,1]=4 1544 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,2,0,0,0,0|1,0,1]=4 1545 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,2,0,0,0,0|1,0,1]=4 1546 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,2,0,0,0,0|1,0,1]=4 1547 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,2,0,0,0,0|1,0,1]=4 1548 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,2,0,0,0,0|0,0,2]=4 1549 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,2,0,0,0,0|0,0,2]=4 1550 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,2,0,0,0,0|1,0,1]=4 1551 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,2,0,0,0,0|1,0,1]=4 1552 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,2,0,0,0,0|1,0,1]=4 1553 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,2,0,0,0,0|1,0,1]=4 1556 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,2,0,0,0,0|0,0,2]=4 1557 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,2,0,0,0,0|1,0,1]=4 1558 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,2,0,0,0,0|1,0,1]=4 1559 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,2,0,0,0,0|1,0,1]=4 1560 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,2,0,0,0,0|1,0,1]=4 1561 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,2,0,0,0,0|1,0,1]=4 1562 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,2,0,0,0,0|1,0,1]=4 1563 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,2,0,0,0,0|0,0,2]=4 1564 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,2,0,0,0,0|0,0,2]=4 1565 B8R0.7 O=CCNOCC(=O)O 269956a_100000106656_200015260668 [0,2,0,0,0,0|1,0,0]=3 1566 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,2,0,0,0,0|1,0,1]=4 1567 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,2,0,0,0,0|0,0,2]=4 1568 B8R0.7 [13CH3]C(=O)CCCN=[N+]=[N-] 1458a_100010262590_200025704644 [0,2,0,0,0,0|2,0,0]=4 1569 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,2,0,0,0,0|0,0,2]=4 1570 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,2,0,0,0,0|1,0,1]=4 1571 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [0,2,0,0,0,0|2,0,0]=4 1572 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1573 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,2,0,0,0,0|0,0,2]=4 1574 B8R0.7 [13CH3]SCCOCC(=O)N 62a_100000076697_200025704644 [0,2,0,0,0,0|2,0,0]=4 1575 B8R0.7 [13CH3]SCCOCC(=O)N 62a_200025704644_100000076697 [0,2,0,0,0,0|2,0,0]=4 1576 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1577 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1578 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1579 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|2,0,0]=4 1580 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|2,0,0]=4 1581 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.8 C=CCNC(F)C(=O)N 2230a_100020586998_100009813875 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|2,0,0]=4 1584 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,2,0,0,0,0|2,0,0]=4 1585 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|2,0,0]=4 1587 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.8 C=CCOC(F)C(=O)N 34a_200000210373_100009813875 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.8 C=CCOC(F)C(=O)[O-] 34a_200000210373_100020610796 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|2,0,0]=4 1595 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,2,0,0,0,0|2,0,0]=4 1597 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,2,0,0,0,0|2,0,0]=4 1598 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|2,0,0]=4 1599 B8R0.8 C=CCSC(F)C(=O)N 62a_100000210623_100009813875 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.8 C=CCSC(F)C(=O)N 62a_100009813875_100000210623 [0,2,0,0,0,0|2,0,0]=4 1601 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100000210623_100020610796 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.8 C=CCSC(F)C(=O)[O-] 62a_100020610796_100000210623 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,0]=3 1604 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,0]=3 1605 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,0]=3 1606 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|1,0,0]=3 1608 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,1]=4 1609 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,1]=4 1610 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,1]=4 1611 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|1,0,1]=4 1612 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|1,0,1]=4 1613 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|2,0,0]=4 1614 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|1,0,0]=3 1616 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|1,0,0]=3 1617 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|1,0,0]=3 1618 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|1,0,0]=3 1619 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|1,0,0]=3 1620 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|1,0,0]=3 1621 B8R0.8 NC(=O)C(F)SCC=O 62a_100009813875_200015260668 [0,2,0,0,0,0|1,0,0]=3 1622 B8R0.8 NC(=O)C(F)SCC=O 62a_200015260668_100009813875 [0,2,0,0,0,0|1,0,0]=3 1623 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_100020610796_200015260668 [0,2,0,0,0,0|1,0,0]=3 1624 B8R0.8 O=CCSC(F)C(=O)[O-] 62a_200015260668_100020610796 [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,2,0,0,0,0|2,0,0]=4 1626 B8R0.9 C=CC(C)OCC(=O)N 34a_100000695699_100000187820 [0,2,0,0,0,0|2,0,0]=4 1627 B8R0.9 C=CC(C)OCC(=O)[O-] 34a_100000695699_100020667443 [0,2,0,0,0,0|2,0,0]=4 1628 B8R0.9 C=CC(C)SCC(=O)N 62a_100011215867_100000747473 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.9 C=CC(C)SCC(=O)[O-] 62a_100011215867_100020667443 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,2,0,0,0,0|1,0,1]=4 1632 B8R0.11 C=CC(C=C)OCC=O 34a_100000033096_200009817547 [0,2,0,0,0,0|2,0,0]=4 1633 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,2,0,0,0,0|2,0,0]=4 1634 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,2,0,0,0,0|2,0,0]=4 1635 B8R0.11 C=CCNC(C=O)C=O 2230a_100020586998_100000736813 [0,2,0,0,0,0|2,0,0]=4 1636 B8R0.11 C=CCOC(C=O)C=O 34a_200000210373_100000736813 [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.11 C=CCSC(C=O)C=O 62a_100000210623_100000736813 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.11 C=CCSC(C=O)C=O 62a_100000736813_100000210623 [0,2,0,0,0,0|2,0,0]=4 1639 B8R0.11 C=C[C@@H](CO)NCC=O 2230a_100016989147_200015260668 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.11 C=C[C@@H](CO)NCC=O 34a_100016989147_200009817547 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.11 O=CCSC(C=O)C=O 62a_100000736813_200015260668 [0,2,0,0,0,0|1,0,0]=3 1642 B8R0.11 O=CCSC(C=O)C=O 62a_200015260668_100000736813 [0,2,0,0,0,0|1,0,0]=3 1643 B8R0.25 C=CC(C)(C)OCC=O 34a_100011215311_200009817547 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.25 C=CC(C)(C)OCC=O 7a_100011215311_200015260668 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.25 C=CC(F)(F)SCC=O 62a_100009814244_200015260668 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.25 C=CC(F)(F)SCC=O 62a_200015260668_100009814244 [0,2,0,0,0,0|2,0,0]=4 1647 B8R0.5 C=C(C)CN(C)CC=O 2230a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1648 B8R0.5 C=C(C)CN(C)CC=O 269982a_100000225649_200015260668 [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100000210193_100000187820 [0,2,0,0,0,0|1,0,1]=4 1650 B8R0.5 C=CCC(=O)CC(=O)N 1458a_100134613110_100000210623 [0,2,0,0,0,0|1,0,1]=4 1651 B8R0.5 C=CCC(=O)CC(=O)[O-] 1458a_100000210193_100020667443 [0,2,0,0,0,0|1,0,1]=4 1652 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000225617_100000747473 [0,2,0,0,0,0|2,0,0]=4 1653 B8R0.5 C=CCN(C)CC(=O)N 2230a_100000739694_100000210623 [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.5 C=CCN(C)CC(=O)N 269982a_100000225617_100000187820 [0,2,0,0,0,0|2,0,0]=4 1655 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,2,0,0,0,0|2,0,0]=4 1656 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.5 C=CCN(C)CC(=O)[O-] 269982a_100000225617_100020667443 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,2,0,0,0,0|1,0,1]=4 1660 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,2,0,0,0,0|1,0,1]=4 1661 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,2,0,0,0,0|1,0,1]=4 1662 B8R0.5 CN(CC=O)CC(=O)N 2230a_100000739694_200015260668 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.21 NS(=O)(=O)CSCC=O 62a_100000741382_200015260668 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.21 NS(=O)(=O)CSCC=O 62a_200015260668_100000741382 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_100009817235_200015260668 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.21 O=CCSCS(=O)(=O)[O-] 62a_200015260668_100009817235 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.28 C=C(C)CNCC(=O)O 269956a_100016091260_100000748629 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.28 C=C(C)COCC(=O)C 34a_100000211253_100000748629 [0,2,0,0,0,0|2,0,0]=4 1673 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,2,0,0,0,0|2,0,0]=4 1674 B8R0.28 C=C(C)COCC(=O)[O-] 34a_100000210245_100020667443 [0,2,0,0,0,0|2,0,0]=4 1675 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100000748629_100020667443 [0,2,0,0,0,0|2,0,0]=4 1678 B8R0.28 C=C(C)CSCC(=O)[O-] 62a_100020667443_100000211660 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.28 C=C(F)CNCC(=O)N 2230a_100000711301_100009893438 [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.28 C=C(F)CNCC(=O)O 269956a_100016091260_100000042424 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.28 C=C(F)COCC(=O)C 34a_100000211253_100009893438 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.28 C=C(F)COCC(=O)N 34a_200010262243_100000187820 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.28 C=C(F)COCC(=O)[O-] 34a_200010262243_100020667443 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.28 C=C(F)CSCC(=O)N 62a_100000042424_100000747473 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.28 C=C(F)CSCC(=O)N 62a_100000747473_100000042424 [0,2,0,0,0,0|2,0,0]=4 1686 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100000042424_100020667443 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.28 C=C(F)CSCC(=O)[O-] 62a_100020667443_100000042424 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [0,2,0,0,0,0|1,0,1]=4 1689 B8R0.28 CC(=O)CCC=C(F)F 1458a_100000070787_200009816681 [0,2,0,0,0,0|1,0,1]=4 1690 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,2,0,0,0,0|0,0,0]=2 1691 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,2,0,0,0,0|0,0,0]=2 1692 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,2,0,0,0,0|1,0,1]=4 1693 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,2,0,0,0,0|1,0,1]=4 1694 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,2,0,0,0,0|0,0,2]=4 1695 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,2,0,0,0,0|2,0,0]=4 1697 B8R0.28 CC(=O)CCC[N+](=O)[O-] 1458a_100016109205_200000210301 [0,2,0,0,0,0|1,0,0]=3 1698 B8R0.28 CC(=O)CCN=C(N)N 1458a_100000033030_200000210301 [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,2,0,0,0,0|1,0,0]=3 1700 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,2,0,0,0,0|1,0,0]=3 1701 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,2,0,0,0,0|1,0,0]=3 1702 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,2,0,0,0,0|1,0,0]=3 1703 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,2,0,0,0,0|1,0,0]=3 1704 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,2,0,0,0,0|1,0,0]=3 1705 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,2,0,0,0,0|1,0,0]=3 1706 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,2,0,0,0,0|1,0,0]=3 1707 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,2,0,0,0,0|1,0,0]=3 1708 B8R0.28 CC(=O)COCC(=O)[O-] 34a_100000211253_100020667443 [0,2,0,0,0,0|1,0,0]=3 1709 B8R0.28 CC(=O)COC[N+](=O)[O-] 34a_100000211253_100000761209 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,2,0,0,0,0|1,0,0]=3 1711 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,2,0,0,0,0|1,0,0]=3 1712 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,2,0,0,0,0|1,0,0]=3 1713 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,2,0,0,0,0|1,0,0]=3 1714 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,2,0,0,0,0|1,0,0]=3 1715 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,2,0,0,0,0|2,0,0]=4 1717 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,2,0,0,0,0|2,0,0]=4 1718 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,2,0,0,0,0|2,0,0]=4 1719 B8R0.28 NC(=O)CNCC(=O)N 2230a_100000711301_100000747473 [0,2,0,0,0,0|1,0,0]=3 1720 B8R0.28 NC(=O)CNCC(=O)O 269956a_100016091260_100000187820 [0,2,0,0,0,0|1,0,0]=3 1721 B8R0.28 NC(=O)CSCC(=O)N 62a_100000747473_100000747473 [0,2,0,0,0,0|1,0,0]=3 1722 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100000747473_100020667443 [0,2,0,0,0,0|1,0,0]=3 1723 B8R0.28 NC(=O)CSCC(=O)[O-] 62a_100020667443_100000747473 [0,2,0,0,0,0|1,0,0]=3 1724 B8R0.28 NC(=O)CSC[N+](=O)[O-] 62a_100000747473_100000761209 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.28 O=C(O)CNC[N+](=O)[O-] 269956a_100016091260_100000761209 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.28 O=C([O-])CNCC(=O)O 269956a_100016091260_100020667443 [0,2,0,0,0,0|1,0,0]=3 1727 B8R0.28 O=C([O-])CSCC(=O)[O-] 62a_100020667443_100020667443 [0,2,0,0,0,0|1,0,0]=3 1728 B8R0.28 O=C([O-])CSC[N+](=O)[O-] 62a_100020667443_100000761209 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.28 [13CH3]C(=O)CCC[N+](=O)[O-] 1458a_100016109205_200025704644 [0,2,0,0,0,0|1,0,0]=3 1730 B8R0.28 [13CH3]C(=O)CCN=C(N)N 1458a_100000033030_200025704644 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,2,0,0,0,0|1,0,0]=3 1732 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,2,0,0,0,0|1,0,0]=3 1733 B8R0.22 C=CCC(CC=C)OC 7a_100011215198_200000210301 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.22 C=CCC(CC=C)O[13CH3] 7a_100011215198_200025704644 [0,2,0,0,0,0|2,0,0]=4 1735 B8R1.8 O=CCN1CC=CC1 269982a_100015195280_200015260668 [0,1,0,1,0,0|1,0,1]=4 1736 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|1,0,1]=4 1737 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|1,0,1]=4 1738 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 1739 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 1740 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,1,0,1,0,0|1,0,1]=4 1741 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,1,0,1,0,0|1,0,1]=4 1742 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,1,0,1,0,0|1,0,1]=4 1743 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,1,0,1,0,0|1,0,1]=4 1744 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,1,0,1,0,0|1,0,1]=4 1745 B8R1.10 O=CCNC1COC1 2230a_100016991112_200015260668 [0,1,0,1,0,0|2,0,0]=4 1746 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,1,0,1,0,0|1,0,1]=4 1747 B8R1.10 O=CCOC1CSC1 7a_100000072292_200015260668 [0,1,0,1,0,0|2,0,0]=4 1748 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,1,0,1,0,0|1,0,1]=4 1749 B8R1.10 O=CCSC1COC1 62a_200015260668_100009818527 [0,1,0,1,0,0|2,0,0]=4 1750 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,1]=4 1751 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,1]=4 1752 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,1]=4 1753 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 1754 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|2,0,0]=4 1755 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 1756 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|2,0,0]=4 1757 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|2,0,0]=4 1758 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|0,0,2]=4 1759 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|0,0,2]=4 1760 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|2,0,0]=4 1761 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|2,0,0]=4 1762 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|0,1,1]=4 1763 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|0,1,1]=4 1764 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|2,0,0]=4 1765 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|2,0,0]=4 1766 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 1767 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|2,0,0]=4 1768 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|0,0,2]=4 1769 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|2,0,0]=4 1770 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|0,1,1]=4 1771 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|0,1,1]=4 1772 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|2,0,0]=4 1773 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|2,0,0]=4 1774 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|1,0,1]=4 1775 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|1,0,1]=4 1776 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,1]=4 1777 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,1]=4 1778 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,1]=4 1779 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|1,0,1]=4 1780 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|1,0,1]=4 1781 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,1,0,1,0,0|1,0,1]=4 1782 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,1,0,1,0,0|1,0,1]=4 1783 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,1,0,1,0,0|1,0,1]=4 1784 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,1,0,1,0,0|0,0,2]=4 1785 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,1,0,1,0,0|1,0,1]=4 1786 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,1,0,1,0,0|1,0,1]=4 1787 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,1,0,1,0,0|0,0,2]=4 1788 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,1,0,1,0,0|0,0,2]=4 1789 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,1,0,1,0,0|0,1,1]=4 1790 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,1,0,1,0,0|0,1,1]=4 1791 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,1,0,1,0,0|0,0,2]=4 1792 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,1,0,1,0,0|0,0,2]=4 1793 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|2,0,0]=4 1794 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|2,0,0]=4 1795 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,1,0,1,0,0|2,0,0]=4 1797 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,1,0,1,0,0|2,0,0]=4 1798 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,1,0,1,0,0|2,0,0]=4 1799 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,1,0,1,0,0|2,0,0]=4 1800 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,1,0,1,0,0|2,0,0]=4 1801 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,1,0,1,0,0|2,0,0]=4 1802 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,1,0,1,0,0|2,0,0]=4 1803 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 1804 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,1]=4 1805 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,1]=4 1806 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|0,1,1]=4 1807 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|2,0,0]=4 1808 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|2,0,0]=4 1809 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|0,0,2]=4 1810 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 1811 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,1]=4 1812 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|0,1,1]=4 1813 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|0,0,2]=4 1815 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|0,0,0]=2 1816 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|2,0,0]=4 1817 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|2,0,0]=4 1818 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|2,0,0]=4 1819 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,1,0,1,0,0|1,0,1]=4 1820 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,1,0,1,0,0|1,0,1]=4 1821 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,1,0,1,0,0|0,0,2]=4 1822 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,1,0,1,0,0|2,0,0]=4 1823 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,1,0,1,0,0|2,0,0]=4 1824 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,1,0,1,0,0|1,0,1]=4 1825 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,1,0,1,0,0|2,0,0]=4 1826 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,1,0,1,0,0|1,0,1]=4 1827 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,1,0,1,0,0|1,0,1]=4 1828 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,1,0,1,0,0|0,0,2]=4 1829 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,1,0,1,0,0|1,0,1]=4 1830 B8R1.43 CC(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200000210301 [0,1,0,1,0,0|1,0,1]=4 1831 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,1,0,1,0,0|1,0,1]=4 1832 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,1,0,1,0,0|1,0,1]=4 1833 B8R1.43 [13CH3]C(=O)[C@@H]1C[C@H]1C#N 1458a_100015294237_200025704644 [0,1,0,1,0,0|1,0,1]=4