0 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.48 CN1CCCCC(C1)O 2230a_100025706797_200000210301 [0,1,0,0,0,0|3,0,0]=4 13 B9R1.48 CN1CCCCC(C1)O 269982a_100025706797_200000210301 [0,1,0,0,0,0|3,0,0]=4 14 B9R1.48 CN1CCCNC(=O)C1 2230a_100015190381_200000210301 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.48 [13CH3]N1CCCCC(C1)O 2230a_100025706797_200025704644 [0,1,0,0,0,0|3,0,0]=4 16 B9R1.48 [13CH3]N1CCCCC(C1)O 269982a_100025706797_200025704644 [0,1,0,0,0,0|3,0,0]=4 17 B9R1.48 [13CH3]N1CCCNC(=O)C1 2230a_100015190381_200025704644 [0,1,0,0,0,0|1,0,0]=2 18 B9R1.49 CC1CCCN(CC1)C 2230a_100025706717_200000210301 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.49 CC1CCCN(CC1)C 269982a_100025706717_200000210301 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.49 CC1CCCN(CC1)C 34a_100025706717_200000210301 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.49 CC1CCCN(CC1)[13CH3] 2230a_100025706717_200025704644 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.49 CC1CCCN(CC1)[13CH3] 269982a_100025706717_200025704644 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.49 CC1CCCN(CC1)[13CH3] 34a_100025706717_200025704644 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.49 CN1CCCC(CC1)O 2230a_100015186869_200000210301 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.49 CN1CCCC(CC1)O 269982a_100015186869_200000210301 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.49 CN1CCNC(=O)CC1 2230a_100000698595_200000210301 [0,1,0,0,0,0|1,0,0]=2 27 B9R1.49 CN1CCNC(=O)CC1 269982a_100000698595_200000210301 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.49 [13CH3]N1CCCC(CC1)O 2230a_100015186869_200025704644 [0,1,0,0,0,0|3,0,0]=4 29 B9R1.49 [13CH3]N1CCCC(CC1)O 269982a_100015186869_200025704644 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.49 [13CH3]N1CCNC(=O)CC1 2230a_100000698595_200025704644 [0,1,0,0,0,0|1,0,0]=2 31 B9R1.49 [13CH3]N1CCNC(=O)CC1 269982a_100000698595_200025704644 [0,1,0,0,0,0|1,0,0]=2 32 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [0,1,0,0,0,0|1,0,2]=4 41 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [0,1,0,0,0,0|1,0,2]=4 42 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [0,1,0,0,0,0|1,1,1]=4 43 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [0,1,0,0,0,0|1,1,1]=4 44 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [0,1,0,0,0,0|2,0,1]=4 47 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [0,1,0,0,0,0|1,0,2]=4 49 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [0,1,0,0,0,0|1,0,2]=4 50 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [0,1,0,0,0,0|1,1,1]=4 51 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [0,1,0,0,0,0|1,1,1]=4 52 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,0,1,0,0,0|2,0,1]=4 53 B7R0.1 C#CCCOCC=O 34a_100011215631_200009817547 [0,0,1,0,0,0|2,0,1]=4 54 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,0,1,0,0,0|2,0,1]=4 55 B7R0.1 C#CCCSCC=O 62a_100000688953_200015260668 [0,0,1,0,0,0|2,0,1]=4 56 B7R0.1 C#CCCSCC=O 62a_200015260668_100000688953 [0,0,1,0,0,0|2,0,1]=4 57 B7R0.1 C#CCOCCCN 34a_100000182051_100000184674 [0,0,1,0,0,0|2,0,1]=4 58 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [0,0,1,0,0,0|3,0,0]=4 59 B7R0.1 C/C=C/COCCC 34a_100000210258_100102629194 [0,0,1,0,0,0|3,0,0]=4 60 B7R0.1 C/C=C/COCCC 34a_100016270725_100000210303 [0,0,1,0,0,0|3,0,0]=4 61 B7R0.1 C/C=C/COCCN 34a_100000210304_100102629194 [0,0,1,0,0,0|2,0,1]=4 62 B7R0.1 C/C=C/CSCCC 62a_100000210303_100102629194 [0,0,1,0,0,0|3,0,0]=4 63 B7R0.1 C/C=C/CSCCC 62a_100102629194_100000210303 [0,0,1,0,0,0|3,0,0]=4 64 B7R0.1 C=CCCCCNC 2230a_100000703577_200000210301 [0,0,1,0,0,0|3,0,0]=4 65 B7R0.1 C=CCCCCNC 2230a_106832991635_100011215482 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.1 C=CCCCCNC 34a_100000703577_200000210301 [0,0,1,0,0,0|3,0,0]=4 67 B7R0.1 C=CCCCCNC 34a_100102657272_100011215482 [0,0,1,0,0,0|3,0,0]=4 68 B7R0.1 C=CCCCCNC 7a_106832991635_100011215482 [0,0,1,0,0,0|3,0,0]=4 69 B7R0.1 C=CCCCCN[13CH3] 2230a_100000703577_200025704644 [0,0,1,0,0,0|3,0,0]=4 70 B7R0.1 C=CCCCCN[13CH3] 34a_100000703577_200025704644 [0,0,1,0,0,0|3,0,0]=4 71 B7R0.1 C=CCCCCOC 34a_100000766645_200000210301 [0,0,1,0,0,0|3,0,0]=4 72 B7R0.1 C=CCCCCOC 34a_100138415774_100011215482 [0,0,1,0,0,0|3,0,0]=4 73 B7R0.1 C=CCCCCOC 7a_100000766645_200000210301 [0,0,1,0,0,0|3,0,0]=4 74 B7R0.1 C=CCCCCO[13CH3] 34a_100000766645_200025704644 [0,0,1,0,0,0|3,0,0]=4 75 B7R0.1 C=CCCCCO[13CH3] 7a_100000766645_200025704644 [0,0,1,0,0,0|3,0,0]=4 76 B7R0.1 C=CCCCCSC 62a_100011215482_200000210301 [0,0,1,0,0,0|3,0,0]=4 77 B7R0.1 C=CCCCCSC 62a_200000210301_100011215482 [0,0,1,0,0,0|3,0,0]=4 78 B7R0.1 C=CCCCCS[13CH3] 62a_100011215482_200025704644 [0,0,1,0,0,0|3,0,0]=4 79 B7R0.1 C=CCCCCS[13CH3] 62a_200025704644_100011215482 [0,0,1,0,0,0|3,0,0]=4 80 B7R0.1 C=CCCCNCC 2230a_100000700776_100000210202 [0,0,1,0,0,0|3,0,0]=4 81 B7R0.1 C=CCCCNCC 2230a_100015525214_100011713584 [0,0,1,0,0,0|3,0,0]=4 82 B7R0.1 C=CCCCNCC 34a_100000700776_100000210202 [0,0,1,0,0,0|3,0,0]=4 83 B7R0.1 C=CCCCNCF 34a_100000700776_100015361967 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.1 C=CCCCOCC 34a_100000758997_100000210202 [0,0,1,0,0,0|3,0,0]=4 85 B7R0.1 C=CCCCOCC 34a_100121572206_100000757094 [0,0,1,0,0,0|3,0,0]=4 86 B7R0.1 C=CCCCOCC 7a_100000758997_100000210202 [0,0,1,0,0,0|3,0,0]=4 87 B7R0.1 C=CCCCOCF 34a_100000758997_100015361967 [0,0,1,0,0,0|3,0,0]=4 88 B7R0.1 C=CCCCOCF 7a_100000758997_100015361967 [0,0,1,0,0,0|3,0,0]=4 89 B7R0.1 C=CCCCSCC 62a_100000210202_100000757094 [0,0,1,0,0,0|3,0,0]=4 90 B7R0.1 C=CCCCSCC 62a_100011713584_100000210202 [0,0,1,0,0,0|3,0,0]=4 91 B7R0.1 C=CCCCSCF 62a_100011713584_100015361967 [0,0,1,0,0,0|3,0,0]=4 92 B7R0.1 C=CCCCSCF 62a_100015361967_100000757094 [0,0,1,0,0,0|3,0,0]=4 93 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,0,1,0,0,0|2,0,1]=4 94 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,0,1,0,0,0|3,0,0]=4 95 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,0,1,0,0,0|3,0,0]=4 96 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,0,1,0,0,0|3,0,0]=4 99 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.1 C=CCCOCC=O 34a_100011205117_200009817547 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,0,1,0,0,0|3,0,0]=4 103 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,0,1,0,0,0|3,0,0]=4 104 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,0,1,0,0,0|3,0,0]=4 105 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,0,1,0,0,0|3,0,0]=4 107 B7R0.1 C=CCCSCC=O 62a_100000754431_200015260668 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.1 C=CCCSCC=O 62a_200015260668_100000754431 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,0,1,0,0,0|3,0,0]=4 110 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,0,1,0,0,0|3,0,0]=4 111 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,0,1,0,0,0|3,0,0]=4 113 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,0,1,0,0,0|3,0,0]=4 114 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,0,1,0,0,0|3,0,0]=4 117 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,0,1,0,0,0|3,0,0]=4 118 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,0,1,0,0,0|3,0,0]=4 119 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,0,1,0,0,0|3,0,0]=4 121 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,0,1,0,0,0|3,0,0]=4 122 B7R0.1 C=CCOCCCBr 34a_100011217188_100015514636 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.1 C=CCOCCCC 34a_100000210227_100015514636 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.1 C=CCOCCCC 34a_200000210373_100000210210 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.1 C=CCOCCCC 7a_100000210227_100015514636 [0,0,1,0,0,0|3,0,0]=4 126 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.1 C=CCOCCCF 34a_100000759539_100015514636 [0,0,1,0,0,0|3,0,0]=4 128 B7R0.1 C=CCOCCCF 34a_200000210373_100011934791 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.1 C=CCOCCCN 34a_100000182051_100015514636 [0,0,1,0,0,0|2,0,0]=3 130 B7R0.1 C=CCOCCCO 34a_200000210373_100000230001 [0,0,1,0,0,0|3,0,0]=4 131 B7R0.1 C=CCOCCON 34a_100000700252_100015514636 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.1 C=CCSCCCC 62a_100000210211_100000210623 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.1 C=CCSCCCC 62a_100000210623_100000210210 [0,0,1,0,0,0|3,0,0]=4 134 B7R0.1 C=CCSCCCF 62a_100000210623_100011934791 [0,0,1,0,0,0|3,0,0]=4 135 B7R0.1 C=CCSCCCF 62a_100011934791_100000210623 [0,0,1,0,0,0|3,0,0]=4 136 B7R0.1 C=CCSCCCO 62a_100000210623_100011215043 [0,0,1,0,0,0|3,0,0]=4 137 B7R0.1 C=CCSCCCO 62a_100011215043_100000210623 [0,0,1,0,0,0|3,0,0]=4 138 B7R0.1 C=COCCCNC 2230a_100000210767_200000210301 [0,0,1,0,0,0|3,0,0]=4 139 B7R0.1 C=COCCCNC 34a_100000210767_200000210301 [0,0,1,0,0,0|3,0,0]=4 140 B7R0.1 C=COCCCN[13CH3] 2230a_100000210767_200025704644 [0,0,1,0,0,0|3,0,0]=4 141 B7R0.1 C=COCCCN[13CH3] 34a_100000210767_200025704644 [0,0,1,0,0,0|3,0,0]=4 142 B7R0.1 C=COCCNCC 2230a_100015525214_100000039644 [0,0,1,0,0,0|3,0,0]=4 143 B7R0.1 C=COCCOCC 34a_100000033082_100000210202 [0,0,1,0,0,0|3,0,0]=4 144 B7R0.1 C=COCCOCC 34a_100121572206_100000039644 [0,0,1,0,0,0|3,0,0]=4 145 B7R0.1 C=COCCSCC 62a_100000039644_100000210202 [0,0,1,0,0,0|3,0,0]=4 146 B7R0.1 C=COCCSCC 62a_100000210202_100000039644 [0,0,1,0,0,0|3,0,0]=4 147 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [0,0,1,0,0,0|3,0,0]=4 149 B7R0.1 CC=CCOCCC 34a_100000210258_100000070051 [0,0,1,0,0,0|3,0,0]=4 150 B7R0.1 CC=CCOCCN 34a_100000210304_100000070051 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.1 CC=CCSCCC 62a_100000070051_100000210303 [0,0,1,0,0,0|3,0,0]=4 152 B7R0.1 CC=CCSCCC 62a_100000210303_100000070051 [0,0,1,0,0,0|3,0,0]=4 153 B7R0.1 CC=NNCCCC 4a_100025702795_200000210099 [0,0,1,0,0,0|2,0,1]=4 154 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,0,1,0,0,0|3,0,0]=4 155 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,0,1,0,0,0|3,0,0]=4 156 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,0,1,0,0,0|3,0,0]=4 157 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,0,1,0,0,0|3,0,0]=4 158 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,0,1,0,0,0|3,0,0]=4 159 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,0,1,0,0,0|3,0,0]=4 160 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,0,1,0,0,0|3,0,0]=4 161 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,0,1,0,0,0|3,0,0]=4 162 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,0,1,0,0,0|3,0,0]=4 163 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,0,1,0,0,0|3,0,0]=4 164 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,0,1,0,0,0|3,0,0]=4 165 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,0,1,0,0,0|3,0,0]=4 166 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,0,1,0,0,0|3,0,0]=4 167 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,0,1,0,0,0|3,0,0]=4 168 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,0,1,0,0,0|1,0,1]=3 169 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,0,1,0,0,0|1,0,1]=3 170 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,0,1,0,0,0|2,0,1]=4 172 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,0,1,0,0,0|2,0,1]=4 173 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,0,1,0,0,0|2,0,1]=4 174 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,0,1,0,0,0|2,0,1]=4 175 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,0,1,0,0,0|2,0,1]=4 176 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,0,1,0,0,0|2,0,1]=4 177 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,0,1,0,0,0|2,0,1]=4 178 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,0,1,0,0,0|2,0,1]=4 179 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,0,1,0,0,0|2,0,0]=3 181 B7R0.1 CCCCOCC=O 34a_100000210227_200009817547 [0,0,1,0,0,0|2,0,0]=3 182 B7R0.1 CCCCOCC=O 7a_100000210227_200015260668 [0,0,1,0,0,0|2,0,0]=3 183 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,0,1,0,0,0|2,0,1]=4 184 B7R0.1 CCCCSCC=O 62a_100000210211_200015260668 [0,0,1,0,0,0|2,0,0]=3 185 B7R0.1 CCCCSCC=O 62a_200015260668_100000210210 [0,0,1,0,0,0|2,0,0]=3 186 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,0,1,0,0,0|2,0,1]=4 187 B7R0.1 CCNCCCC=O 2230a_100015525214_200011292268 [0,0,1,0,0,0|2,0,0]=3 188 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,0,1,0,0,0|2,0,1]=4 189 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,0,1,0,0,0|2,0,1]=4 192 B7R0.1 CCNCCCOC 2230a_100015525214_100000740836 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.1 CCNCCCOC 34a_100150723488_100000210202 [0,0,1,0,0,0|2,0,1]=4 194 B7R0.1 CCNCCCSC 2230a_100000749238_100000210202 [0,0,1,0,0,0|2,0,1]=4 195 B7R0.1 CCNCCOCC 2230a_100015525214_100011215890 [0,0,1,0,0,0|2,0,1]=4 196 B7R0.1 CCNCCOCC 2230a_102516460346_100000210202 [0,0,1,0,0,0|2,0,1]=4 197 B7R0.1 CCNCCOCC 34a_102516460346_100000210202 [0,0,1,0,0,0|2,0,1]=4 198 B7R0.1 CCNCCSCC 2230a_100000106463_100000210202 [0,0,1,0,0,0|2,0,1]=4 199 B7R0.1 CCNCCSCC 2230a_100015525214_100000757381 [0,0,1,0,0,0|2,0,1]=4 200 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.1 CCOCCNCF 34a_102516460346_100015361967 [0,0,1,0,0,0|2,0,1]=4 202 B7R0.1 CCOCSCC=O 62a_100000739092_200015260668 [0,0,1,0,0,0|3,0,0]=4 203 B7R0.1 CCOCSCC=O 62a_200015260668_100000739092 [0,0,1,0,0,0|3,0,0]=4 204 B7R0.1 CCSCCCC=O 62a_100000210202_200011292268 [0,0,1,0,0,0|2,0,0]=3 205 B7R0.1 CCSCCCC=O 62a_200011292268_100000210202 [0,0,1,0,0,0|2,0,0]=3 206 B7R0.1 CNCCCCC=O 2230a_106832991635_100000139335 [0,0,1,0,0,0|2,0,0]=3 207 B7R0.1 CNCCCCC=O 7a_106832991635_100000139335 [0,0,1,0,0,0|2,0,0]=3 208 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,0,1,0,0,0|3,0,0]=4 209 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,0,1,0,0,0|3,0,0]=4 210 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,0,1,0,0,0|3,0,0]=4 211 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,0,1,0,0,0|3,0,0]=4 212 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,0,1,0,0,0|3,0,0]=4 213 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,0,1,0,0,0|3,0,0]=4 214 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,0,1,0,0,0|3,0,0]=4 215 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,0,1,0,0,0|3,0,0]=4 216 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,0,1,0,0,0|3,0,0]=4 217 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,0,1,0,0,0|3,0,0]=4 218 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,0,1,0,0,0|3,0,0]=4 219 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,0,1,0,0,0|3,0,0]=4 220 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,0,1,0,0,0|3,0,0]=4 221 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,0,1,0,0,0|3,0,0]=4 222 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,0,1,0,0,0|2,0,0]=3 224 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,0,1,0,0,0|3,0,0]=4 225 B7R0.1 COCCCNCF 34a_100150723488_100015361967 [0,0,1,0,0,0|2,0,1]=4 226 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,0,1,0,0,0|3,0,0]=4 227 B7R0.1 COCCOCC=O 34a_100000210237_200009817547 [0,0,1,0,0,0|3,0,0]=4 228 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,0,1,0,0,0|3,0,0]=4 229 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,0,1,0,0,0|3,0,0]=4 230 B7R0.1 COCCSCC=O 62a_100000233755_200015260668 [0,0,1,0,0,0|3,0,0]=4 231 B7R0.1 COCCSCC=O 62a_200015260668_100000233755 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.1 CSCCCCC=O 62a_100000139335_200000210301 [0,0,1,0,0,0|2,0,0]=3 233 B7R0.1 CSCCCCC=O 62a_200000210301_100000139335 [0,0,1,0,0,0|2,0,0]=3 234 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,0,1,0,0,0|3,0,0]=4 236 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,0,1,0,0,0|3,0,0]=4 237 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,0,1,0,0,0|3,0,0]=4 238 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,0,1,0,0,0|3,0,0]=4 239 B7R0.1 CSCCOCC=O 34a_100000230434_200009817547 [0,0,1,0,0,0|3,0,0]=4 240 B7R0.1 CSCCOCC=O 7a_100000230434_200015260668 [0,0,1,0,0,0|3,0,0]=4 241 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,0,1,0,0,0|3,0,0]=4 242 B7R0.1 CSCCSCC=O 62a_100000212216_200015260668 [0,0,1,0,0,0|3,0,0]=4 243 B7R0.1 CSCCSCC=O 62a_200015260668_100000751147 [0,0,1,0,0,0|3,0,0]=4 244 B7R0.1 CSCOCCCN 34a_100000182051_100011218213 [0,0,1,0,0,0|3,0,0]=4 245 B7R0.1 N#CCCSCC=O 62a_100011215226_200015260668 [0,0,1,0,0,0|1,0,2]=4 246 B7R0.1 N#CCCSCC=O 62a_200015260668_100011215226 [0,0,1,0,0,0|1,0,2]=4 247 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,0,1,0,0,0|2,0,1]=4 248 B7R0.1 NCCCOCC=O 34a_100000182051_200009817547 [0,0,1,0,0,0|1,0,0]=2 249 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,0,1,0,0,0|2,0,1]=4 250 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,0,1,0,0,0|1,0,2]=4 251 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,0,1,0,0,0|2,0,1]=4 252 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,0,1,0,0,0|1,0,2]=4 253 B7R0.1 NOCCOCC=O 34a_100000700252_200009817547 [0,0,1,0,0,0|2,0,0]=3 254 B7R0.1 O=CCCCSCF 62a_100015361967_200011292268 [0,0,1,0,0,0|2,0,0]=3 255 B7R0.1 O=CCCCSCF 62a_200011292268_100015361967 [0,0,1,0,0,0|2,0,0]=3 256 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,0,1,0,0,0|2,0,0]=3 257 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,0,1,0,0,0|2,0,0]=3 258 B7R0.1 O=CCOCCCBr 34a_100011217188_200009817547 [0,0,1,0,0,0|2,0,0]=3 259 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,0,1,0,0,0|2,0,0]=3 260 B7R0.1 O=CCOCCCF 34a_100000759539_200009817547 [0,0,1,0,0,0|2,0,0]=3 261 B7R0.1 O=CCSCCCF 62a_100011934791_200015260668 [0,0,1,0,0,0|2,0,0]=3 262 B7R0.1 O=CCSCCCF 62a_200015260668_100011934791 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.1 O=CCSCCCO 62a_100011215043_200015260668 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.1 O=CCSCCCO 62a_200015260668_100011215043 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,0,1,0,0,0|2,0,1]=4 266 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,0,1,0,0,0|3,0,0]=4 267 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,0,1,0,0,0|3,0,0]=4 268 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,0,1,0,0,0|3,0,0]=4 269 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,0,1,0,0,0|3,0,0]=4 270 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,0,1,0,0,0|3,0,0]=4 271 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,0,1,0,0,0|3,0,0]=4 272 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,0,1,0,0,0|3,0,0]=4 273 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,0,1,0,0,0|3,0,0]=4 274 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,0,1,0,0,0|2,0,0]=3 275 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.1 [13CH3]SCCCCC=O 62a_100000139335_200025704644 [0,0,1,0,0,0|2,0,0]=3 277 B7R0.1 [13CH3]SCCCCC=O 62a_200025704644_100000139335 [0,0,1,0,0,0|2,0,0]=3 278 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,0,1,0,0,0|3,0,0]=4 279 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,0,1,0,0,0|3,0,0]=4 280 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,0,1,0,0,0|3,0,0]=4 281 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,0,1,0,0,0|3,0,0]=4 282 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [0,0,1,0,0,0|1,0,1]=3 283 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [0,0,1,0,0,0|2,0,1]=4 284 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [0,0,1,0,0,0|2,0,1]=4 285 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [0,0,1,0,0,0|2,0,1]=4 286 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [0,0,1,0,0,0|2,0,1]=4 287 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [0,0,1,0,0,0|1,0,2]=4 288 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [0,0,1,0,0,0|1,0,2]=4 289 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [0,0,1,0,0,0|0,0,2]=3 290 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [0,0,1,0,0,0|0,0,2]=3 291 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [0,0,1,0,0,0|0,0,2]=3 292 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [0,0,1,0,0,0|0,0,2]=3 293 B7R0.3 C#CCNC(=O)CC 11a_100000212058_100000210414 [0,0,1,0,0,0|0,0,2]=3 294 B7R0.3 C#CCNC(=O)CC 1626a_100000212058_100000210414 [0,0,1,0,0,0|0,0,2]=3 295 B7R0.3 C#CCNC(=O)CC 240690a_100000212058_100000210414 [0,0,1,0,0,0|0,0,2]=3 296 B7R0.3 C#CCNC(=O)CC 527a_100000212058_100000210414 [0,0,1,0,0,0|0,0,2]=3 297 B7R0.3 C#CCNC(=O)CO 240690a_100000212058_100000210174 [0,0,1,0,0,0|1,0,2]=4 298 B7R0.3 C#CCNC(=O)CO 527a_100000212058_100000210174 [0,0,1,0,0,0|1,0,2]=4 299 B7R0.3 C#CCNC(=O)NC 2708a_100000212058_106832991635 [0,0,1,0,0,0|1,0,2]=4 300 B7R0.3 C#CCNC(=O)NC 2708a_100102657272_100000212058 [0,0,1,0,0,0|1,0,2]=4 301 B7R0.3 C#CCNC(=O)NC 273464a_100000212058_100102657272 [0,0,1,0,0,0|1,0,2]=4 302 B7R0.3 C#CCNC(=O)NC 273464a_100102657272_100000212058 [0,0,1,0,0,0|1,0,2]=4 303 B7R0.3 C#CCNC(=O)NC 512a_100000212058_100102657272 [0,0,1,0,0,0|1,0,2]=4 304 B7R0.3 C#CCNC(=O)NC 512a_106832991638_100000212058 [0,0,1,0,0,0|1,0,2]=4 305 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [0,0,1,0,0,0|1,0,2]=4 306 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [0,0,1,0,0,0|1,0,1]=3 307 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [0,0,1,0,0,0|2,0,1]=4 308 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [0,0,1,0,0,0|2,0,1]=4 309 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [0,0,1,0,0,0|2,0,1]=4 310 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [0,0,1,0,0,0|2,0,1]=4 311 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [0,0,1,0,0,0|0,0,2]=3 312 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [0,0,1,0,0,0|0,0,2]=3 313 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [0,0,1,0,0,0|1,0,2]=4 314 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [0,0,1,0,0,0|1,0,2]=4 315 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [0,0,1,0,0,0|1,0,2]=4 316 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [0,0,1,0,0,0|1,0,2]=4 317 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [0,0,1,0,0,0|1,0,2]=4 318 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [0,0,1,0,0,0|1,0,2]=4 319 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [0,0,1,0,0,0|0,0,2]=3 320 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [0,0,1,0,0,0|0,0,2]=3 321 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [0,0,1,0,0,0|0,0,2]=3 322 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [0,0,1,0,0,0|0,0,2]=3 323 B7R0.3 C=CCNC(=O)CC 1626a_100020586998_100000210414 [0,0,1,0,0,0|0,0,2]=3 324 B7R0.3 C=CCNC(=O)CC 240690a_100020586998_100000210414 [0,0,1,0,0,0|0,0,2]=3 325 B7R0.3 C=CCNC(=O)CC 527a_100020586998_100000210414 [0,0,1,0,0,0|0,0,2]=3 326 B7R0.3 C=CCNC(=O)CO 240690a_100020586998_100000210174 [0,0,1,0,0,0|1,0,2]=4 327 B7R0.3 C=CCNC(=O)CO 527a_100020586998_100000210174 [0,0,1,0,0,0|1,0,2]=4 328 B7R0.3 C=CCNC(=O)NC 2708a_100102657272_100020586998 [0,0,1,0,0,0|1,0,2]=4 329 B7R0.3 C=CCNC(=O)NC 273464a_100020586998_100102657272 [0,0,1,0,0,0|1,0,2]=4 330 B7R0.3 C=CCNC(=O)NC 273464a_100102657272_100020586998 [0,0,1,0,0,0|1,0,2]=4 331 B7R0.3 C=CCNC(=O)NC 512a_100020586998_100102657272 [0,0,1,0,0,0|1,0,2]=4 332 B7R0.3 C=CCNC(=O)NC 512a_106832991638_100020586998 [0,0,1,0,0,0|1,0,2]=4 333 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [0,0,1,0,0,0|1,0,2]=4 334 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [0,0,1,0,0,0|1,0,2]=4 335 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [0,0,1,0,0,0|1,0,2]=4 336 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [0,0,1,0,0,0|0,0,2]=3 337 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [0,0,1,0,0,0|0,0,2]=3 338 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [0,0,1,0,0,0|0,0,2]=3 339 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [0,0,1,0,0,0|0,0,2]=3 340 B7R0.3 CC=NNC(=O)CC 4a_100000183195_200000210099 [0,0,1,0,0,0|1,0,1]=3 341 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [0,0,1,0,0,0|1,0,1]=3 342 B7R0.3 CCC#CC(=O)CF 1458a_100011827653_100015361967 [0,0,1,0,0,0|2,0,1]=4 343 B7R0.3 CCC(=O)C#CCO 1458a_100000049017_100000210202 [0,0,1,0,0,0|2,0,1]=4 344 B7R0.3 CCC(=O)C=COC 1458a_100016268678_100000210202 [0,0,1,0,0,0|2,0,1]=4 345 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [0,0,1,0,0,0|2,0,1]=4 346 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [0,0,1,0,0,0|2,0,1]=4 347 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [0,0,1,0,0,0|2,0,0]=3 348 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [0,0,1,0,0,0|2,0,0]=3 349 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [0,0,1,0,0,0|2,0,0]=3 350 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [0,0,1,0,0,0|2,0,0]=3 351 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [0,0,1,0,0,0|2,0,0]=3 352 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [0,0,1,0,0,0|2,0,0]=3 353 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [0,0,1,0,0,0|3,0,0]=4 354 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [0,0,1,0,0,0|3,0,0]=4 355 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [0,0,1,0,0,0|3,0,0]=4 356 B7R0.3 CCC(=O)NCC#N 1626a_100000734998_100000210414 [0,0,1,0,0,0|1,0,1]=3 357 B7R0.3 CCC(=O)NCC#N 527a_100000734998_100000210414 [0,0,1,0,0,0|1,0,1]=3 358 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,0,1,0,0,0|1,0,0]=2 359 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,0,1,0,0,0|1,0,0]=2 360 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,0,1,0,0,0|1,0,0]=2 361 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,0,1,0,0,0|1,0,0]=2 362 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,0,1,0,0,0|1,0,0]=2 363 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,0,1,0,0,0|1,0,0]=2 364 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,0,1,0,0,0|2,0,1]=4 365 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,0,1,0,0,0|2,0,1]=4 366 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,0,1,0,0,0|2,0,1]=4 367 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,0,1,0,0,0|2,0,1]=4 368 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,0,1,0,0,0|2,0,1]=4 369 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,0,1,0,0,0|2,0,1]=4 370 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,0,1,0,0,0|2,0,1]=4 371 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [0,0,1,0,0,0|1,0,1]=3 372 B7R0.3 CCC=CC(=O)CF 1458a_100000212282_100015361967 [0,0,1,0,0,0|2,0,1]=4 373 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [0,0,1,0,0,0|0,0,2]=3 374 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [0,0,1,0,0,0|0,0,2]=3 375 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [0,0,1,0,0,0|0,0,2]=3 376 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [0,0,1,0,0,0|1,0,0]=2 377 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [0,0,1,0,0,0|1,0,0]=2 378 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [0,0,1,0,0,0|2,0,0]=3 379 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [0,0,1,0,0,0|2,0,0]=3 380 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [0,0,1,0,0,0|0,0,0]=1 381 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [0,0,1,0,0,0|0,0,0]=1 382 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [0,0,1,0,0,0|0,0,0]=1 383 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [0,0,1,0,0,0|0,0,0]=1 384 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,0,1,0,0,0|1,0,1]=3 385 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,0,1,0,0,0|1,0,1]=3 386 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,0,1,0,0,0|1,0,1]=3 387 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,0,1,0,0,0|1,0,1]=3 388 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,0,1,0,0,0|1,0,1]=3 389 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,0,1,0,0,0|1,0,1]=3 390 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,0,1,0,0,0|2,0,1]=4 391 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,0,1,0,0,0|2,0,1]=4 392 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,0,1,0,0,0|2,0,1]=4 393 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,0,1,0,0,0|2,0,1]=4 394 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,0,1,0,0,0|2,0,1]=4 395 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,0,1,0,0,0|2,0,1]=4 396 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,0,1,0,0,0|2,0,1]=4 397 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,0,1,0,0,0|2,0,1]=4 398 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,0,1,0,0,0|2,0,1]=4 399 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [0,0,1,0,0,0|3,0,0]=4 400 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [0,0,1,0,0,0|3,0,0]=4 401 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [0,0,1,0,0,0|3,0,0]=4 402 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [0,0,1,0,0,0|3,0,0]=4 403 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [0,0,1,0,0,0|3,0,0]=4 404 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [0,0,1,0,0,0|3,0,0]=4 405 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [0,0,1,0,0,0|3,0,0]=4 406 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [0,0,1,0,0,0|3,0,0]=4 407 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,0,1,0,0,0|0,0,0]=1 408 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,0,1,0,0,0|0,0,0]=1 409 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,0,1,0,0,0|0,0,0]=1 410 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,0,1,0,0,0|0,0,0]=1 411 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,0,1,0,0,0|1,0,0]=2 412 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,0,1,0,0,0|1,0,0]=2 413 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [0,0,1,0,0,0|1,0,0]=2 414 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [0,0,1,0,0,0|1,0,0]=2 415 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [0,0,1,0,0,0|1,0,0]=2 416 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [0,0,1,0,0,0|1,0,0]=2 417 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [0,0,1,0,0,0|1,0,0]=2 418 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [0,0,1,0,0,0|1,0,0]=2 419 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,0,1,0,0,0|1,0,1]=3 420 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,0,1,0,0,0|2,0,1]=4 421 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,0,1,0,0,0|2,0,1]=4 422 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,0,1,0,0,0|2,0,1]=4 423 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,0,1,0,0,0|2,0,1]=4 424 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,0,1,0,0,0|2,0,1]=4 425 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [0,0,1,0,0,0|1,0,0]=2 426 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [0,0,1,0,0,0|1,0,0]=2 427 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [0,0,1,0,0,0|2,0,0]=3 428 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [0,0,1,0,0,0|1,0,0]=2 429 B7R0.3 CCNNC(=O)CO 22a_100000756455_100000210174 [0,0,1,0,0,0|2,0,0]=3 430 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [0,0,1,0,0,0|2,0,0]=3 431 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [0,0,1,0,0,0|2,0,0]=3 432 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [0,0,1,0,0,0|2,0,0]=3 433 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [0,0,1,0,0,0|2,0,0]=3 434 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [0,0,1,0,0,0|2,0,0]=3 435 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [0,0,1,0,0,0|3,0,0]=4 436 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [0,0,1,0,0,0|1,0,0]=2 437 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [0,0,1,0,0,0|1,0,0]=2 438 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [0,0,1,0,0,0|1,0,0]=2 439 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [0,0,1,0,0,0|1,0,0]=2 440 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [0,0,1,0,0,0|1,0,0]=2 441 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [0,0,1,0,0,0|1,0,0]=2 442 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,0,1,0,0,0|2,0,0]=3 443 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [0,0,1,0,0,0|2,0,0]=3 444 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [0,0,1,0,0,0|2,0,0]=3 445 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [0,0,1,0,0,0|2,0,0]=3 446 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [0,0,1,0,0,0|3,0,0]=4 447 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [0,0,1,0,0,0|1,0,0]=2 448 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [0,0,1,0,0,0|1,0,0]=2 449 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [0,0,1,0,0,0|1,0,0]=2 450 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [0,0,1,0,0,0|1,0,0]=2 451 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [0,0,1,0,0,0|1,0,0]=2 452 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [0,0,1,0,0,0|1,0,0]=2 453 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [0,0,1,0,0,0|2,0,0]=3 454 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [0,0,1,0,0,0|2,0,0]=3 455 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,0,1,0,0,0|2,0,1]=4 456 B7R0.3 CNC(=O)C=COC 1626a_100102657272_100016268678 [0,0,1,0,0,0|1,0,2]=4 457 B7R0.3 CNC(=O)C=COC 240690a_100102657272_100016268678 [0,0,1,0,0,0|1,0,2]=4 458 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [0,0,1,0,0,0|1,0,1]=3 459 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [0,0,1,0,0,0|1,0,1]=3 460 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [0,0,1,0,0,0|1,0,1]=3 461 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [0,0,1,0,0,0|1,0,1]=3 462 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [0,0,1,0,0,0|1,0,0]=2 463 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [0,0,1,0,0,0|1,0,0]=2 464 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [0,0,1,0,0,0|1,0,0]=2 465 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [0,0,1,0,0,0|1,0,0]=2 466 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [0,0,1,0,0,0|1,0,0]=2 467 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [0,0,1,0,0,0|1,0,0]=2 468 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [0,0,1,0,0,0|1,0,0]=2 469 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [0,0,1,0,0,0|1,0,0]=2 470 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [0,0,1,0,0,0|1,0,0]=2 471 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [0,0,1,0,0,0|1,0,0]=2 472 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [0,0,1,0,0,0|1,0,0]=2 473 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [0,0,1,0,0,0|1,0,0]=2 474 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [0,0,1,0,0,0|1,0,0]=2 475 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [0,0,1,0,0,0|1,0,0]=2 476 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [0,0,1,0,0,0|1,0,0]=2 477 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [0,0,1,0,0,0|1,0,0]=2 478 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [0,0,1,0,0,0|1,0,0]=2 479 B7R0.3 CNC(=O)CN=[N+]=[N-] 11a_106832991635_100000751907 [0,0,1,0,0,0|3,0,0]=4 480 B7R0.3 CNC(=O)CN=[N+]=[N-] 240690a_100102657272_100000751907 [0,0,1,0,0,0|3,0,0]=4 481 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [0,0,1,0,0,0|2,0,0]=3 482 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [0,0,1,0,0,0|2,0,0]=3 483 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [0,0,1,0,0,0|2,0,0]=3 484 B7R0.3 CNC(=O)NCC#N 2708a_100000734998_106832991635 [0,0,1,0,0,0|2,0,1]=4 485 B7R0.3 CNC(=O)NCC#N 273464a_100000734998_100102657272 [0,0,1,0,0,0|2,0,1]=4 486 B7R0.3 CNC(=O)NCC#N 273464a_100102657272_100000734998 [0,0,1,0,0,0|2,0,1]=4 487 B7R0.3 CNC(=O)NCC#N 512a_100000734998_100102657272 [0,0,1,0,0,0|2,0,1]=4 488 B7R0.3 CNC(=O)NCC#N 512a_106832991638_100000734998 [0,0,1,0,0,0|2,0,1]=4 489 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [0,0,1,0,0,0|2,0,0]=3 490 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [0,0,1,0,0,0|2,0,0]=3 491 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [0,0,1,0,0,0|2,0,0]=3 492 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [0,0,1,0,0,0|2,0,0]=3 493 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [0,0,1,0,0,0|2,0,0]=3 494 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [0,0,1,0,0,0|2,0,0]=3 495 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [0,0,1,0,0,0|2,0,0]=3 496 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [0,0,1,0,0,0|2,0,0]=3 497 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,0,1,0,0,0|2,0,1]=4 498 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,0,1,0,0,0|2,0,1]=4 499 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [0,0,1,0,0,0|1,0,0]=2 500 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [0,0,1,0,0,0|1,0,0]=2 501 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [0,0,1,0,0,0|1,0,0]=2 502 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [0,0,1,0,0,0|1,0,0]=2 503 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [0,0,1,0,0,0|1,0,0]=2 504 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [0,0,1,0,0,0|2,0,0]=3 505 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [0,0,1,0,0,0|2,0,0]=3 506 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [0,0,1,0,0,0|2,0,0]=3 507 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [0,0,1,0,0,0|2,0,0]=3 508 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [0,0,1,0,0,0|2,0,0]=3 509 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [0,0,1,0,0,0|2,0,0]=3 510 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [0,0,1,0,0,0|2,0,0]=3 511 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [0,0,1,0,0,0|3,0,0]=4 512 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [0,0,1,0,0,0|3,0,0]=4 513 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,0,1,0,0,0|3,0,0]=4 514 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,0,1,0,0,0|3,0,0]=4 515 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [0,0,1,0,0,0|3,0,0]=4 516 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [0,0,1,0,0,0|3,0,0]=4 517 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,0,1,0,0,0|2,0,0]=3 518 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [0,0,1,0,0,0|3,0,0]=4 519 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [0,0,1,0,0,0|3,0,0]=4 520 B7R0.3 N#CCNC(=O)CO 527a_100000734998_100000210174 [0,0,1,0,0,0|2,0,1]=4 521 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [0,0,1,0,0,0|3,0,0]=4 522 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [0,0,1,0,0,0|3,0,0]=4 523 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,0,1,0,0,0|2,0,0]=3 524 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,0,1,0,0,0|2,0,0]=3 525 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,0,1,0,0,0|2,0,0]=3 526 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,0,1,0,0,0|2,0,0]=3 527 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [0,0,1,0,0,0|1,0,2]=4 528 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [0,0,1,0,0,0|1,0,2]=4 529 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [0,0,1,0,0,0|1,0,2]=4 530 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [0,0,1,0,0,0|0,0,2]=3 531 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [0,0,1,0,0,0|0,0,2]=3 532 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [0,0,1,0,0,0|0,0,2]=3 533 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [0,0,1,0,0,0|0,0,2]=3 534 B7R0.4 C#CCNCC(=O)N 2230a_100000711301_100000038162 [0,0,1,0,0,0|1,0,2]=4 535 B7R0.4 C#CCNCC(=O)N 34a_100000212058_100000187820 [0,0,1,0,0,0|1,0,2]=4 536 B7R0.4 C#CCOCC(=O)N 34a_100000210247_100000187820 [0,0,1,0,0,0|1,0,2]=4 537 B7R0.4 C#CCSCC(=O)N 62a_100000038162_100000747473 [0,0,1,0,0,0|1,0,2]=4 538 B7R0.4 C=C(Br)CCOCC 34a_100009813270_100000210202 [0,0,1,0,0,0|3,0,0]=4 539 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [0,0,1,0,0,0|3,0,0]=4 540 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [0,0,1,0,0,0|3,0,0]=4 541 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [0,0,1,0,0,0|3,0,0]=4 542 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [0,0,1,0,0,0|3,0,0]=4 543 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [0,0,1,0,0,0|3,0,0]=4 544 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [0,0,1,0,0,0|3,0,0]=4 545 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [0,0,1,0,0,0|3,0,0]=4 546 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [0,0,1,0,0,0|3,0,0]=4 547 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [0,0,1,0,0,0|3,0,0]=4 548 B7R0.4 C=C(F)COCCC 34a_100000210258_100009893438 [0,0,1,0,0,0|3,0,0]=4 549 B7R0.4 C=C(F)COCCC 34a_200010262243_100000210303 [0,0,1,0,0,0|3,0,0]=4 550 B7R0.4 C=C(F)CSCCC 62a_100000042424_100000210303 [0,0,1,0,0,0|3,0,0]=4 551 B7R0.4 C=C(F)CSCCC 62a_100000210303_100000042424 [0,0,1,0,0,0|3,0,0]=4 552 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [0,0,1,0,0,0|1,0,2]=4 553 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [0,0,1,0,0,0|1,0,2]=4 554 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [0,0,1,0,0,0|1,0,2]=4 555 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [0,0,1,0,0,0|0,0,2]=3 556 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [0,0,1,0,0,0|0,0,2]=3 557 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [0,0,1,0,0,0|0,0,2]=3 558 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [0,0,1,0,0,0|0,0,2]=3 559 B7R0.4 C=CCNCC(=O)N 2230a_100000711301_100000210623 [0,0,1,0,0,0|1,0,2]=4 560 B7R0.4 C=CCNCC(=O)N 2230a_100020586998_100000747473 [0,0,1,0,0,0|1,0,2]=4 561 B7R0.4 C=CCNNC(=O)C 22a_100020588587_100000070787 [0,0,1,0,0,0|1,0,2]=4 562 B7R0.4 C=CCOCC(=O)N 34a_200000210373_100000187820 [0,0,1,0,0,0|1,0,2]=4 563 B7R0.4 C=CCSCC(=O)N 62a_100000210623_100000747473 [0,0,1,0,0,0|1,0,2]=4 564 B7R0.4 C=CCSCC(=O)N 62a_100000747473_100000210623 [0,0,1,0,0,0|1,0,2]=4 565 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [0,0,1,0,0,0|0,0,2]=3 566 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [0,0,1,0,0,0|0,0,2]=3 567 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [0,0,1,0,0,0|0,0,2]=3 568 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [0,0,1,0,0,0|3,0,0]=4 569 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [0,0,1,0,0,0|3,0,0]=4 570 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [0,0,1,0,0,0|2,0,1]=4 571 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [0,0,1,0,0,0|2,0,1]=4 572 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [0,0,1,0,0,0|2,0,0]=3 573 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [0,0,1,0,0,0|2,0,0]=3 574 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [0,0,1,0,0,0|2,0,0]=3 575 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [0,0,1,0,0,0|2,0,0]=3 576 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [0,0,1,0,0,0|2,0,0]=3 577 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [0,0,1,0,0,0|2,0,0]=3 578 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [0,0,1,0,0,0|2,0,0]=3 579 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 580 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [0,0,1,0,0,0|3,0,0]=4 581 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [0,0,1,0,0,0|3,0,0]=4 582 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [0,0,1,0,0,0|3,0,0]=4 583 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [0,0,1,0,0,0|3,0,0]=4 584 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [0,0,1,0,0,0|3,0,0]=4 585 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [0,0,1,0,0,0|3,0,0]=4 586 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [0,0,1,0,0,0|1,0,1]=3 587 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [0,0,1,0,0,0|1,0,1]=3 588 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [0,0,1,0,0,0|1,0,1]=3 589 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [0,0,1,0,0,0|1,0,1]=3 590 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [0,0,1,0,0,0|1,0,0]=2 591 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [0,0,1,0,0,0|1,0,0]=2 592 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [0,0,1,0,0,0|1,0,0]=2 593 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [0,0,1,0,0,0|1,0,0]=2 594 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [0,0,1,0,0,0|1,0,0]=2 595 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [0,0,1,0,0,0|1,0,0]=2 596 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [0,0,1,0,0,0|1,0,0]=2 597 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [0,0,1,0,0,0|1,0,0]=2 598 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [0,0,1,0,0,0|1,0,0]=2 599 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [0,0,1,0,0,0|1,0,0]=2 600 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [0,0,1,0,0,0|2,0,0]=3 601 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [0,0,1,0,0,0|2,0,0]=3 602 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [0,0,1,0,0,0|2,0,0]=3 603 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [0,0,1,0,0,0|3,0,0]=4 604 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [0,0,1,0,0,0|3,0,0]=4 605 B7R0.4 CC(C)NCCCF 2230a_100015189416_100000210206 [0,0,1,0,0,0|2,0,1]=4 606 B7R0.4 CC(C)NCCCF 2230a_100138425928_100011934791 [0,0,1,0,0,0|2,0,1]=4 607 B7R0.4 CC(C)NCCCF 34a_100015189416_100000210206 [0,0,1,0,0,0|2,0,1]=4 608 B7R0.4 CC(C)NCCCF 34a_100138425928_100011934791 [0,0,1,0,0,0|2,0,1]=4 609 B7R0.4 CC(C)NCCCO 2230a_100138425928_100000230001 [0,0,1,0,0,0|2,0,1]=4 610 B7R0.4 CC(C)NCCCO 34a_100138425928_100000230001 [0,0,1,0,0,0|2,0,1]=4 611 B7R0.4 CC(C)NCCO[13CH3] 34a_100000224655_200025704644 [0,0,1,0,0,0|2,0,1]=4 612 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [0,0,1,0,0,0|1,0,2]=4 613 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [0,0,1,0,0,0|1,0,2]=4 614 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [0,0,1,0,0,0|1,0,2]=4 615 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [0,0,1,0,0,0|1,0,2]=4 616 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [0,0,1,0,0,0|1,0,1]=3 617 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [0,0,1,0,0,0|1,0,1]=3 618 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [0,0,1,0,0,0|1,0,1]=3 619 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [0,0,1,0,0,0|1,0,1]=3 620 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [0,0,1,0,0,0|1,0,1]=3 621 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [0,0,1,0,0,0|1,0,0]=2 622 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [0,0,1,0,0,0|1,0,0]=2 623 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [0,0,1,0,0,0|1,0,0]=2 624 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [0,0,1,0,0,0|3,0,0]=4 625 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [0,0,1,0,0,0|3,0,0]=4 626 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [0,0,1,0,0,0|3,0,0]=4 627 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [0,0,1,0,0,0|3,0,0]=4 628 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [0,0,1,0,0,0|3,0,0]=4 629 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [0,0,1,0,0,0|3,0,0]=4 630 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [0,0,1,0,0,0|0,0,0]=1 631 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [0,0,1,0,0,0|0,0,0]=1 632 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [0,0,1,0,0,0|0,0,0]=1 633 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [0,0,1,0,0,0|0,0,0]=1 634 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [0,0,1,0,0,0|1,0,1]=3 635 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [0,0,1,0,0,0|1,0,1]=3 636 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [0,0,1,0,0,0|1,0,1]=3 637 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [0,0,1,0,0,0|1,0,1]=3 638 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [0,0,1,0,0,0|2,0,1]=4 639 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [0,0,1,0,0,0|2,0,1]=4 640 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [0,0,1,0,0,0|2,0,1]=4 641 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [0,0,1,0,0,0|2,0,1]=4 642 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [0,0,1,0,0,0|2,0,1]=4 643 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,0,1,0,0,0|1,0,0]=2 644 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,0,1,0,0,0|2,0,0]=3 645 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [0,0,1,0,0,0|1,0,0]=2 646 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [0,0,1,0,0,0|2,0,0]=3 647 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [0,0,1,0,0,0|2,0,0]=3 648 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [0,0,1,0,0,0|1,0,0]=2 649 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [0,0,1,0,0,0|2,0,0]=3 650 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [0,0,1,0,0,0|2,0,0]=3 651 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,0,1,0,0,0|2,0,1]=4 652 B7R0.4 CCCOC[N+](=O)[O-] 34a_100000210258_100000761209 [0,0,1,0,0,0|3,0,0]=4 653 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [0,0,1,0,0,0|2,0,0]=3 654 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [0,0,1,0,0,0|1,0,0]=2 655 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [0,0,1,0,0,0|1,0,0]=2 656 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [0,0,1,0,0,0|2,0,0]=3 657 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [0,0,1,0,0,0|2,0,0]=3 658 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [0,0,1,0,0,0|2,0,0]=3 659 B7R0.4 CCCSC[N+](=O)[O-] 62a_100000210303_100000761209 [0,0,1,0,0,0|3,0,0]=4 660 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [0,0,1,0,0,0|3,0,0]=4 661 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [0,0,1,0,0,0|3,0,0]=4 662 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [0,0,1,0,0,0|1,0,0]=2 663 B7R0.4 CCNOCC(=O)O 269956a_100000106656_100000210202 [0,0,1,0,0,0|3,0,0]=4 664 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [0,0,1,0,0,0|2,0,1]=4 665 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [0,0,1,0,0,0|2,0,1]=4 666 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [0,0,1,0,0,0|3,0,0]=4 667 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [0,0,1,0,0,0|3,0,0]=4 668 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [0,0,1,0,0,0|2,0,0]=3 669 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [0,0,1,0,0,0|2,0,0]=3 670 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [0,0,1,0,0,0|2,0,0]=3 671 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [0,0,1,0,0,0|2,0,0]=3 672 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [0,0,1,0,0,0|1,0,0]=2 673 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [0,0,1,0,0,0|1,0,0]=2 674 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [0,0,1,0,0,0|1,0,0]=2 675 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [0,0,1,0,0,0|2,0,0]=3 676 B7R0.4 CCOCC[C@@H](C)N 34a_100000706166_100000210202 [0,0,1,0,0,0|2,0,1]=4 677 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [0,0,1,0,0,0|2,0,0]=3 678 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [0,0,1,0,0,0|3,0,0]=4 679 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [0,0,1,0,0,0|3,0,0]=4 680 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [0,0,1,0,0,0|2,0,0]=3 681 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [0,0,1,0,0,0|2,0,0]=3 682 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [0,0,1,0,0,0|2,0,0]=3 683 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [0,0,1,0,0,0|2,0,0]=3 684 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [0,0,1,0,0,0|1,0,0]=2 685 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [0,0,1,0,0,0|1,0,0]=2 686 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [0,0,1,0,0,0|2,0,0]=3 687 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [0,0,1,0,0,0|2,0,0]=3 688 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [0,0,1,0,0,0|2,0,0]=3 689 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [0,0,1,0,0,0|3,0,0]=4 690 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [0,0,1,0,0,0|3,0,0]=4 691 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [0,0,1,0,0,0|3,0,0]=4 692 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [0,0,1,0,0,0|2,0,0]=3 693 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [0,0,1,0,0,0|2,0,0]=3 694 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [0,0,1,0,0,0|1,0,0]=2 695 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [0,0,1,0,0,0|1,0,0]=2 696 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [0,0,1,0,0,0|1,0,0]=2 697 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [0,0,1,0,0,0|3,0,0]=4 698 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [0,0,1,0,0,0|1,0,0]=2 699 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [0,0,1,0,0,0|1,0,0]=2 700 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [0,0,1,0,0,0|1,0,0]=2 701 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [0,0,1,0,0,0|2,0,0]=3 702 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [0,0,1,0,0,0|2,0,0]=3 703 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [0,0,1,0,0,0|2,0,0]=3 704 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [0,0,1,0,0,0|2,0,0]=3 705 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [0,0,1,0,0,0|2,0,0]=3 706 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [0,0,1,0,0,0|2,0,0]=3 707 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [0,0,1,0,0,0|2,0,0]=3 708 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [0,0,1,0,0,0|2,0,1]=4 709 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [0,0,1,0,0,0|2,0,1]=4 710 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [0,0,1,0,0,0|3,0,0]=4 711 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [0,0,1,0,0,0|2,0,0]=3 712 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [0,0,1,0,0,0|2,0,0]=3 713 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [0,0,1,0,0,0|2,0,0]=3 714 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [0,0,1,0,0,0|2,0,0]=3 715 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [0,0,1,0,0,0|2,0,0]=3 716 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [0,0,1,0,0,0|1,0,0]=2 717 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [0,0,1,0,0,0|2,0,0]=3 718 B7R0.4 COCCC[N+](=O)[O-] 34a_200000037920_200000210301 [0,0,1,0,0,0|3,0,0]=4 719 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [0,0,1,0,0,0|1,0,0]=2 720 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [0,0,1,0,0,0|1,0,0]=2 721 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [0,0,1,0,0,0|1,0,0]=2 722 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [0,0,1,0,0,0|1,0,0]=2 723 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [0,0,1,0,0,0|2,0,0]=3 724 B7R0.4 COCCNC(C)C 2230a_100000209980_100000210206 [0,0,1,0,0,0|2,0,1]=4 725 B7R0.4 COCCNC(C)C 2230a_100138425928_100011201679 [0,0,1,0,0,0|2,0,1]=4 726 B7R0.4 COCCNC(C)C 34a_100000224655_200000210301 [0,0,1,0,0,0|2,0,1]=4 727 B7R0.4 COCCNC(C)C 34a_100138425928_100011201679 [0,0,1,0,0,0|2,0,1]=4 728 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [0,0,1,0,0,0|2,0,0]=3 729 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [0,0,1,0,0,0|2,0,0]=3 730 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [0,0,1,0,0,0|2,0,0]=3 731 B7R0.4 COCNCC(=O)N 2230a_100000711301_100000766300 [0,0,1,0,0,0|2,0,0]=3 732 B7R0.4 COCNCC(=O)O 269956a_100016091260_100000766300 [0,0,1,0,0,0|3,0,0]=4 733 B7R0.4 COCSCC(=O)N 62a_100000747473_100000766300 [0,0,1,0,0,0|2,0,0]=3 734 B7R0.4 COCSCC(=O)N 62a_100000766300_100000747473 [0,0,1,0,0,0|2,0,0]=3 735 B7R0.4 COCSCC(=O)[O-] 62a_100000766300_100020667443 [0,0,1,0,0,0|3,0,0]=4 736 B7R0.4 COCSCC(=O)[O-] 62a_100020667443_100000766300 [0,0,1,0,0,0|3,0,0]=4 737 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [0,0,1,0,0,0|3,0,0]=4 738 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [0,0,1,0,0,0|3,0,0]=4 739 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [0,0,1,0,0,0|3,0,0]=4 740 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [0,0,1,0,0,0|2,0,0]=3 741 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [0,0,1,0,0,0|2,0,0]=3 742 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [0,0,1,0,0,0|2,0,0]=3 743 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [0,0,1,0,0,0|1,0,0]=2 744 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [0,0,1,0,0,0|1,0,0]=2 745 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [0,0,1,0,0,0|2,0,0]=3 746 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [0,0,1,0,0,0|1,0,0]=2 747 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [0,0,1,0,0,0|1,0,0]=2 748 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [0,0,1,0,0,0|1,0,0]=2 749 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [0,0,1,0,0,0|1,0,0]=2 750 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [0,0,1,0,0,0|1,0,0]=2 751 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [0,0,1,0,0,0|1,0,0]=2 752 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [0,0,1,0,0,0|2,0,0]=3 753 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [0,0,1,0,0,0|2,0,0]=3 754 B7R0.4 CSCCNC(C)C 2230a_100020590264_100000210206 [0,0,1,0,0,0|2,0,1]=4 755 B7R0.4 CSCCNC(C)C 2230a_100138425928_100000751147 [0,0,1,0,0,0|2,0,1]=4 756 B7R0.4 CSCCNC(C)C 34a_100138425928_100000212216 [0,0,1,0,0,0|2,0,1]=4 757 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [0,0,1,0,0,0|2,0,0]=3 758 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [0,0,1,0,0,0|2,0,0]=3 759 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [0,0,1,0,0,0|2,0,0]=3 760 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [0,0,1,0,0,0|2,0,0]=3 761 B7R0.4 CSCNCC(=O)N 2230a_100000711301_100011218213 [0,0,1,0,0,0|2,0,0]=3 762 B7R0.4 CSCNCC(=O)O 269956a_100016091260_100011218213 [0,0,1,0,0,0|3,0,0]=4 763 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [0,0,1,0,0,0|3,0,0]=4 764 B7R0.4 CSCSCC(=O)N 62a_100000747473_100011218213 [0,0,1,0,0,0|2,0,0]=3 765 B7R0.4 CSCSCC(=O)N 62a_100011218213_100000747473 [0,0,1,0,0,0|2,0,0]=3 766 B7R0.4 CSCSCC(=O)[O-] 62a_100011218213_100020667443 [0,0,1,0,0,0|3,0,0]=4 767 B7R0.4 CSCSCC(=O)[O-] 62a_100020667443_100011218213 [0,0,1,0,0,0|3,0,0]=4 768 B7R0.4 N#CCNCC(=O)N 2230a_100000711301_100011215382 [0,0,1,0,0,0|2,0,1]=4 769 B7R0.4 N#CCSCC(=O)N 62a_100000747473_100011215382 [0,0,1,0,0,0|2,0,1]=4 770 B7R0.4 N#CCSCC(=O)N 62a_100011215382_100000747473 [0,0,1,0,0,0|2,0,1]=4 771 B7R0.4 NC(=O)CCOCF 34a_100000757172_100015361967 [0,0,1,0,0,0|2,0,0]=3 772 B7R0.4 NC(=O)CCOCF 7a_100000757172_100015361967 [0,0,1,0,0,0|2,0,0]=3 773 B7R0.4 NC(=O)CCSCF 62a_100000744528_100015361967 [0,0,1,0,0,0|2,0,0]=3 774 B7R0.4 NC(=O)CCSCF 62a_100015361967_100000744528 [0,0,1,0,0,0|2,0,0]=3 775 B7R0.4 NC(=O)CNCC=O 2230a_100000711301_200015260668 [0,0,1,0,0,0|2,0,1]=4 776 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,0,1,0,0,0|2,0,0]=3 777 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,0,1,0,0,0|2,0,0]=3 778 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,0,1,0,0,0|2,0,0]=3 779 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,0,1,0,0,0|2,0,0]=3 780 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,0,1,0,0,0|2,0,0]=3 781 B7R0.4 NC(=O)COCCBr 34a_100000211926_100000187820 [0,0,1,0,0,0|2,0,0]=3 782 B7R0.4 NC(=O)CSCC=O 62a_100000747473_200015260668 [0,0,1,0,0,0|2,0,1]=4 783 B7R0.4 NC(=O)CSCC=O 62a_200015260668_100000747473 [0,0,1,0,0,0|2,0,1]=4 784 B7R0.4 NC(=O)CSCCF 62a_100000747473_100011217306 [0,0,1,0,0,0|2,0,0]=3 785 B7R0.4 NC(=O)CSCCF 62a_100011217306_100000747473 [0,0,1,0,0,0|2,0,0]=3 786 B7R0.4 NC(=O)CSCCO 62a_100000211926_100000747473 [0,0,1,0,0,0|2,0,0]=3 787 B7R0.4 NC(=O)CSCCO 62a_100000747473_100000211926 [0,0,1,0,0,0|2,0,0]=3 788 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [0,0,1,0,0,0|2,0,0]=3 789 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [0,0,1,0,0,0|3,0,0]=4 790 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,0,1,0,0,0|3,0,0]=4 791 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,0,1,0,0,0|3,0,0]=4 792 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,0,1,0,0,0|3,0,0]=4 793 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,0,1,0,0,0|3,0,0]=4 794 B7R0.4 O=C([O-])COCCBr 34a_100000211926_100020667443 [0,0,1,0,0,0|3,0,0]=4 795 B7R0.4 O=C([O-])CSCCF 62a_100011217306_100020667443 [0,0,1,0,0,0|3,0,0]=4 796 B7R0.4 O=C([O-])CSCCF 62a_100020667443_100011217306 [0,0,1,0,0,0|3,0,0]=4 797 B7R0.4 O=C([O-])CSCCO 62a_100000211926_100020667443 [0,0,1,0,0,0|3,0,0]=4 798 B7R0.4 O=C([O-])CSCCO 62a_100020667443_100000211926 [0,0,1,0,0,0|3,0,0]=4 799 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [0,0,1,0,0,0|2,0,1]=4 800 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [0,0,1,0,0,0|2,0,0]=3 801 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [0,0,1,0,0,0|3,0,0]=4 802 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [0,0,1,0,0,0|1,0,0]=2 803 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [0,0,1,0,0,0|2,0,0]=3 804 B7R0.4 [13CH3]OCCC[N+](=O)[O-] 34a_200000037920_200025704644 [0,0,1,0,0,0|3,0,0]=4 805 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [0,0,1,0,0,0|2,0,0]=3 806 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [0,0,1,0,0,0|2,0,0]=3 807 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [0,0,1,0,0,0|1,0,0]=2 808 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [0,0,1,0,0,0|1,0,0]=2 809 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [0,0,1,0,0,0|2,0,0]=3 810 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [0,0,1,0,0,0|2,0,0]=3 811 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [0,0,1,0,0,0|2,0,0]=3 812 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [0,0,1,0,0,0|2,0,0]=3 813 B7R0.7 C#CCC(=O)CCC 1458a_100000211992_100000184674 [0,0,1,0,0,0|1,0,2]=4 814 B7R0.7 C#CCC(=O)CCC 1458a_100011220946_100000210303 [0,0,1,0,0,0|1,0,2]=4 815 B7R0.7 C#CCC(=O)NCC 527a_100015525214_100011220946 [0,0,1,0,0,0|0,0,2]=3 816 B7R0.7 C=CCC(=O)CCC 1458a_100000210193_100000210303 [0,0,1,0,0,0|1,0,2]=4 817 B7R0.7 C=CCC(=O)CCC 1458a_100000211992_100000210623 [0,0,1,0,0,0|1,0,2]=4 818 B7R0.7 C=CCC(=O)NCC 11a_100015525214_100000210193 [0,0,1,0,0,0|0,0,2]=3 819 B7R0.7 C=CCC(=O)NCC 240690a_100015525214_100000210193 [0,0,1,0,0,0|0,0,2]=3 820 B7R0.7 C=CCC(=O)NCC 527a_100015525214_100000210193 [0,0,1,0,0,0|0,0,2]=3 821 B7R0.7 C=CCC(=O)NNC 22a_100016993582_100000210193 [0,0,1,0,0,0|1,0,2]=4 822 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [0,0,1,0,0,0|1,0,1]=3 823 B7R0.7 CC#CC(=O)CCF 1458a_100000763181_100011217306 [0,0,1,0,0,0|2,0,1]=4 824 B7R0.7 CC#CC(=O)CCO 1458a_100000763181_100000211926 [0,0,1,0,0,0|2,0,1]=4 825 B7R0.7 CC#CC(=O)NNC 22a_100016993582_100000763181 [0,0,1,0,0,0|1,0,2]=4 826 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [0,0,1,0,0,0|1,0,1]=3 827 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [0,0,1,0,0,0|2,0,1]=4 828 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [0,0,1,0,0,0|2,0,1]=4 829 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [0,0,1,0,0,0|0,0,2]=3 830 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [0,0,1,0,0,0|0,0,2]=3 831 B7R0.7 CC=CC(=O)NNC 22a_100016993582_100000210699 [0,0,1,0,0,0|1,0,2]=4 832 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [0,0,1,0,0,0|2,0,1]=4 833 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [0,0,1,0,0,0|2,0,1]=4 834 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [0,0,1,0,0,0|2,0,1]=4 835 B7R0.7 CCCC(=O)CC#N 1458a_100000211992_100011214920 [0,0,1,0,0,0|2,0,1]=4 836 B7R0.7 CCCC(=O)CC#N 1458a_100051588842_100000210303 [0,0,1,0,0,0|2,0,1]=4 837 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,0,1,0,0,0|1,0,0]=2 838 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,0,1,0,0,0|2,0,0]=3 839 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,0,1,0,0,0|2,0,0]=3 840 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,0,1,0,0,0|2,0,0]=3 841 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [0,0,1,0,0,0|2,0,0]=3 842 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [0,0,1,0,0,0|2,0,0]=3 843 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [0,0,1,0,0,0|2,0,0]=3 844 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [0,0,1,0,0,0|2,0,0]=3 845 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [0,0,1,0,0,0|2,0,0]=3 846 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [0,0,1,0,0,0|2,0,0]=3 847 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [0,0,1,0,0,0|2,0,0]=3 848 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [0,0,1,0,0,0|2,0,0]=3 849 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [0,0,1,0,0,0|0,0,0]=1 850 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [0,0,1,0,0,0|0,0,0]=1 851 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [0,0,1,0,0,0|0,0,0]=1 852 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [0,0,1,0,0,0|1,0,0]=2 853 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,0,1,0,0,0|1,0,1]=3 854 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,0,1,0,0,0|1,0,1]=3 855 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,0,1,0,0,0|1,0,1]=3 856 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,0,1,0,0,0|2,0,1]=4 857 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,0,1,0,0,0|2,0,1]=4 858 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,0,1,0,0,0|2,0,1]=4 859 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,0,1,0,0,0|2,0,1]=4 860 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,0,1,0,0,0|2,0,1]=4 861 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,0,1,0,0,0|3,0,0]=4 862 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,0,1,0,0,0|3,0,0]=4 863 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,0,1,0,0,0|3,0,0]=4 864 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,0,1,0,0,0|3,0,0]=4 865 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,0,1,0,0,0|3,0,0]=4 866 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,0,1,0,0,0|3,0,0]=4 867 B7R0.7 CCNC(=O)C=CBr 240690a_100015525214_100016273825 [0,0,1,0,0,0|1,0,2]=4 868 B7R0.7 CCNC(=O)C=CCl 11a_100015525214_200016279998 [0,0,1,0,0,0|1,0,2]=4 869 B7R0.7 CCNC(=O)C=CCl 240690a_100015525214_200016279998 [0,0,1,0,0,0|1,0,2]=4 870 B7R0.7 CCNC(=O)CC#N 240690a_100015525214_100051588842 [0,0,1,0,0,0|1,0,1]=3 871 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [0,0,1,0,0,0|1,0,0]=2 872 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [0,0,1,0,0,0|1,0,0]=2 873 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [0,0,1,0,0,0|1,0,0]=2 874 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [0,0,1,0,0,0|1,0,0]=2 875 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [0,0,1,0,0,0|1,0,0]=2 876 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [0,0,1,0,0,0|1,0,0]=2 877 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [0,0,1,0,0,0|1,0,0]=2 878 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [0,0,1,0,0,0|1,0,0]=2 879 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [0,0,1,0,0,0|1,0,0]=2 880 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [0,0,1,0,0,0|1,0,0]=2 881 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [0,0,1,0,0,0|1,0,0]=2 882 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [0,0,1,0,0,0|1,0,0]=2 883 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [0,0,1,0,0,0|1,0,0]=2 884 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [0,0,1,0,0,0|1,0,0]=2 885 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [0,0,1,0,0,0|1,0,0]=2 886 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [0,0,1,0,0,0|1,0,0]=2 887 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [0,0,1,0,0,0|1,0,0]=2 888 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [0,0,1,0,0,0|1,0,0]=2 889 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [0,0,1,0,0,0|1,0,0]=2 890 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [0,0,1,0,0,0|1,0,0]=2 891 B7R0.7 CCNC(=O)NNC 273464a_100015525214_100016993582 [0,0,1,0,0,0|2,0,0]=3 892 B7R0.7 CCNC(=O)NNC 512a_100015525214_100016993582 [0,0,1,0,0,0|2,0,0]=3 893 B7R0.7 CCNC(=O)NNC 512a_100016993582_100015525214 [0,0,1,0,0,0|2,0,0]=3 894 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,0,1,0,0,0|2,0,1]=4 895 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,0,1,0,0,0|2,0,1]=4 896 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,0,1,0,0,0|2,0,1]=4 897 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,0,1,0,0,0|2,0,1]=4 898 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,0,1,0,0,0|2,0,1]=4 899 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,0,1,0,0,0|2,0,1]=4 900 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,0,1,0,0,0|2,0,1]=4 901 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [0,0,1,0,0,0|2,0,0]=3 902 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [0,0,1,0,0,0|2,0,0]=3 903 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [0,0,1,0,0,0|2,0,0]=3 904 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,0,1,0,0,0|2,0,0]=3 905 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [0,0,1,0,0,0|2,0,0]=3 906 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [0,0,1,0,0,0|2,0,0]=3 907 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [0,0,1,0,0,0|2,0,0]=3 908 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [0,0,1,0,0,0|2,0,0]=3 909 B7R0.7 CNCC(=O)NCO 2230a_106832991635_100000185155 [0,0,1,0,0,0|2,0,0]=3 910 B7R0.7 CNCC(=O)NCO 34a_100102657272_100000185155 [0,0,1,0,0,0|2,0,0]=3 911 B7R0.7 CNCC(=O)NCO 7a_106832991635_100000185155 [0,0,1,0,0,0|2,0,0]=3 912 B7R0.7 CNNC(=O)CC#N 22a_100016993582_100051588842 [0,0,1,0,0,0|2,0,1]=4 913 B7R0.7 CNNC(=O)CCO 22a_100016993582_100011216618 [0,0,1,0,0,0|2,0,0]=3 914 B7R0.7 CNNC(=O)COC 22a_100016993582_100000210968 [0,0,1,0,0,0|2,0,0]=3 915 B7R0.7 CNNC(=O)CSC 22a_100016993582_100000184570 [0,0,1,0,0,0|2,0,0]=3 916 B7R0.7 CNNC(=O)NNC 512a_100016993582_100016993582 [0,0,1,0,0,0|3,0,0]=4 917 B7R0.7 COCC(=O)CCF 1458a_100000210968_100011217306 [0,0,1,0,0,0|3,0,0]=4 918 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [0,0,1,0,0,0|3,0,0]=4 919 B7R0.7 COCC(=O)NCO 34a_100138415774_100000185155 [0,0,1,0,0,0|2,0,0]=3 920 B7R0.7 CSCC(=O)CCF 1458a_100000184570_100011217306 [0,0,1,0,0,0|3,0,0]=4 921 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [0,0,1,0,0,0|3,0,0]=4 922 B7R0.7 CSCC(=O)NCO 62a_100000185155_200000210301 [0,0,1,0,0,0|2,0,0]=3 923 B7R0.7 CSCC(=O)NCO 62a_200000210301_100000185155 [0,0,1,0,0,0|2,0,0]=3 924 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,0,1,0,0,0|3,0,0]=4 925 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,0,1,0,0,0|3,0,0]=4 926 B7R0.7 [13CH3]SCC(=O)NCO 62a_100000185155_200025704644 [0,0,1,0,0,0|2,0,0]=3 927 B7R0.7 [13CH3]SCC(=O)NCO 62a_200025704644_100000185155 [0,0,1,0,0,0|2,0,0]=3 928 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,0,0,0,1,0|3,0,0]=4 929 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,0,0,0,1,0|3,0,0]=4 930 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,0,0,0,1,0|3,0,0]=4 931 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [0,0,0,0,1,0|3,0,0]=4 932 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [0,0,0,0,1,0|3,0,0]=4 933 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [0,0,0,0,1,0|3,0,0]=4 934 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [0,0,0,0,1,0|3,0,0]=4 935 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [0,0,0,0,1,0|3,0,0]=4 936 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,0,0,0,1,0|3,0,0]=4 937 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,0,0,0,1,0|3,0,0]=4 938 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,0,0,0,1,0|3,0,0]=4 939 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [0,0,0,0,1,0|3,0,0]=4 940 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [0,0,0,0,1,0|3,0,0]=4 941 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [0,0,0,0,1,0|3,0,0]=4 942 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [0,0,0,0,1,0|3,0,0]=4 943 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [0,0,0,0,1,0|3,0,0]=4 944 B9R1.50 CN1CCCCCCC1 2230a_100000211400_200000210301 [0,0,0,0,0,1|3,0,0]=4 945 B9R1.50 CN1CCCCCCC1 269982a_100000211400_200000210301 [0,0,0,0,0,1|3,0,0]=4 946 B9R1.50 CN1CCCCCCC1 34a_100000211400_200000210301 [0,0,0,0,0,1|3,0,0]=4 947 B9R1.50 [13CH3]N1CCCCCCC1 2230a_100000211400_200025704644 [0,0,0,0,0,1|3,0,0]=4 948 B9R1.50 [13CH3]N1CCCCCCC1 269982a_100000211400_200025704644 [0,0,0,0,0,1|3,0,0]=4 949 B9R1.50 [13CH3]N1CCCCCCC1 34a_100000211400_200025704644 [0,0,0,0,0,1|3,0,0]=4 950 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [1,0,1,0,0,0|2,0,0]=4 951 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [1,0,1,0,0,0|2,0,0]=4 952 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [1,0,1,0,0,0|2,0,0]=4 953 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [1,0,1,0,0,0|2,0,0]=4 954 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [1,0,1,0,0,0|2,0,0]=4 955 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [1,0,1,0,0,0|2,0,0]=4 956 B6R0.6 C=CCCCNC 2230a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 957 B6R0.6 C=CCCCNC 2230a_106832991635_100011713584 [1,0,1,0,0,0|2,0,0]=4 958 B6R0.6 C=CCCCNC 34a_100000700776_200000210301 [1,0,1,0,0,0|2,0,0]=4 959 B6R0.6 C=CCCCNC 34a_100102657272_100000757094 [1,0,1,0,0,0|2,0,0]=4 960 B6R0.6 C=CCCCNC 7a_106832991635_100000757094 [1,0,1,0,0,0|2,0,0]=4 961 B6R0.6 C=CCCCN[13CH3] 2230a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 962 B6R0.6 C=CCCCN[13CH3] 34a_100000700776_200025704644 [1,0,1,0,0,0|2,0,0]=4 963 B6R0.6 C=CCCCOC 34a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 964 B6R0.6 C=CCCCOC 34a_100138415774_100000757094 [1,0,1,0,0,0|2,0,0]=4 965 B6R0.6 C=CCCCOC 7a_100000758997_200000210301 [1,0,1,0,0,0|2,0,0]=4 966 B6R0.6 C=CCCCO[13CH3] 34a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 967 B6R0.6 C=CCCCO[13CH3] 7a_100000758997_200025704644 [1,0,1,0,0,0|2,0,0]=4 968 B6R0.6 C=CCCCSC 62a_100011713584_200000210301 [1,0,1,0,0,0|2,0,0]=4 969 B6R0.6 C=CCCCSC 62a_200000210301_100000757094 [1,0,1,0,0,0|2,0,0]=4 970 B6R0.6 C=CCCCS[13CH3] 62a_100011713584_200025704644 [1,0,1,0,0,0|2,0,0]=4 971 B6R0.6 C=CCCCS[13CH3] 62a_200025704644_100000757094 [1,0,1,0,0,0|2,0,0]=4 972 B6R0.6 C=CCCNCC 2230a_100015191253_100000210202 [1,0,1,0,0,0|2,0,0]=4 973 B6R0.6 C=CCCNCC 2230a_100015525214_100000754431 [1,0,1,0,0,0|2,0,0]=4 974 B6R0.6 C=CCCOCC 34a_100011205117_100000210202 [1,0,1,0,0,0|2,0,0]=4 975 B6R0.6 C=CCCOCC 34a_100121572206_100000754431 [1,0,1,0,0,0|2,0,0]=4 976 B6R0.6 C=CCCSCC 62a_100000210202_100000754431 [1,0,1,0,0,0|2,0,0]=4 977 B6R0.6 C=CCCSCC 62a_100000754431_100000210202 [1,0,1,0,0,0|2,0,0]=4 978 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [1,0,1,0,0,0|2,0,0]=4 979 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [1,0,1,0,0,0|2,0,0]=4 980 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [1,0,1,0,0,0|2,0,0]=4 981 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [1,0,1,0,0,0|1,0,1]=4 982 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [1,0,1,0,0,0|2,0,0]=4 983 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [1,0,1,0,0,0|2,0,0]=4 984 B6R0.6 CC/C=C\CNC 2230a_106832991635_100103147603 [1,0,1,0,0,0|2,0,0]=4 985 B6R0.6 CC/C=C\CNC 34a_100102657272_100103147603 [1,0,1,0,0,0|2,0,0]=4 986 B6R0.6 CC/C=C\CNC 7a_106832991635_100103147603 [1,0,1,0,0,0|2,0,0]=4 987 B6R0.6 CC/C=C\COC 34a_100016268518_200000210301 [1,0,1,0,0,0|2,0,0]=4 988 B6R0.6 CC/C=C\COC 34a_100138415774_100103147603 [1,0,1,0,0,0|2,0,0]=4 989 B6R0.6 CC/C=C\CO[13CH3] 34a_100016268518_200025704644 [1,0,1,0,0,0|2,0,0]=4 990 B6R0.6 CC/C=C\CSC 62a_100103147603_200000210301 [1,0,1,0,0,0|2,0,0]=4 991 B6R0.6 CC/C=C\CSC 62a_200000210301_100103147603 [1,0,1,0,0,0|2,0,0]=4 992 B6R0.6 CC/C=C\CS[13CH3] 62a_100103147603_200025704644 [1,0,1,0,0,0|2,0,0]=4 993 B6R0.6 CC/C=C\CS[13CH3] 62a_200025704644_100103147603 [1,0,1,0,0,0|2,0,0]=4 994 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [1,0,1,0,0,0|2,0,0]=4 995 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [1,0,1,0,0,0|2,0,0]=4 996 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [1,0,1,0,0,0|2,0,0]=4 997 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [1,0,1,0,0,0|2,0,0]=4 998 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [1,0,1,0,0,0|1,0,1]=4 999 B6R0.6 CCC=NNCC 4a_100000756455_100000210100 [1,0,1,0,0,0|1,0,1]=4 1000 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [1,0,1,0,0,0|0,0,1]=3 1001 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [1,0,1,0,0,0|0,0,1]=3 1002 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [1,0,1,0,0,0|0,0,1]=3 1003 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [1,0,1,0,0,0|0,0,1]=3 1004 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [1,0,1,0,0,0|0,0,1]=3 1005 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [1,0,1,0,0,0|1,0,1]=4 1006 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [1,0,1,0,0,0|1,0,1]=4 1007 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [1,0,1,0,0,0|1,0,1]=4 1008 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [1,0,1,0,0,0|1,0,1]=4 1009 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [1,0,1,0,0,0|1,0,1]=4 1010 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [1,0,1,0,0,0|1,0,1]=4 1011 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [1,0,1,0,0,0|1,0,1]=4 1012 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [1,0,1,0,0,0|1,0,1]=4 1013 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [1,0,1,0,0,0|1,0,1]=4 1014 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [1,0,1,0,0,0|0,0,1]=3 1015 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [1,0,1,0,0,0|0,0,1]=3 1016 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [1,0,1,0,0,0|0,0,1]=3 1017 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [1,0,1,0,0,0|1,0,1]=4 1018 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 1019 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [1,0,1,0,0,0|1,0,1]=4 1020 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [1,0,1,0,0,0|1,0,1]=4 1021 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [1,0,1,0,0,0|1,0,1]=4 1022 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [1,0,1,0,0,0|1,0,1]=4 1023 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [1,0,1,0,0,0|1,0,1]=4 1024 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [1,0,1,0,0,0|1,0,1]=4 1025 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [1,0,1,0,0,0|1,0,1]=4 1026 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [1,0,1,0,0,0|1,0,0]=3 1027 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [1,0,1,0,0,0|1,0,1]=4 1028 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [1,0,1,0,0,0|1,0,1]=4 1029 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [1,0,1,0,0,0|1,0,0]=3 1030 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [1,0,1,0,0,0|1,0,0]=3 1031 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [1,0,1,0,0,0|1,0,1]=4 1032 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [1,0,1,0,0,0|1,0,1]=4 1033 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [1,0,1,0,0,0|1,0,1]=4 1034 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [1,0,1,0,0,0|1,0,1]=4 1035 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [1,0,1,0,0,0|1,0,1]=4 1036 B6R0.6 CCNCCOC 2230a_100000209980_100000210202 [1,0,1,0,0,0|1,0,1]=4 1037 B6R0.6 CCNCCOC 2230a_100015525214_100011201679 [1,0,1,0,0,0|1,0,1]=4 1038 B6R0.6 CCNCCSC 2230a_100015525214_100000751147 [1,0,1,0,0,0|1,0,1]=4 1039 B6R0.6 CCNCCSC 2230a_100020590264_100000210202 [1,0,1,0,0,0|1,0,1]=4 1040 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [1,0,1,0,0,0|1,0,1]=4 1041 B6R0.6 CCOCCNC 2230a_102516460346_200000210301 [1,0,1,0,0,0|1,0,1]=4 1042 B6R0.6 CCOCCNC 2230a_106832991635_100011215890 [1,0,1,0,0,0|1,0,1]=4 1043 B6R0.6 CCOCCNC 34a_100102657272_100000210147 [1,0,1,0,0,0|1,0,1]=4 1044 B6R0.6 CCOCCNC 34a_102516460346_200000210301 [1,0,1,0,0,0|1,0,1]=4 1045 B6R0.6 CCOCCNC 7a_106832991635_100011215890 [1,0,1,0,0,0|1,0,1]=4 1046 B6R0.6 CCOCCN[13CH3] 2230a_102516460346_200025704644 [1,0,1,0,0,0|1,0,1]=4 1047 B6R0.6 CCOCCN[13CH3] 34a_102516460346_200025704644 [1,0,1,0,0,0|1,0,1]=4 1048 B6R0.6 CCOCCON 34a_100000700252_100000210202 [1,0,1,0,0,0|2,0,0]=4 1049 B6R0.6 CCSCCNC 2230a_100000106463_200000210301 [1,0,1,0,0,0|1,0,1]=4 1050 B6R0.6 CCSCCNC 2230a_106832991635_100000757381 [1,0,1,0,0,0|1,0,1]=4 1051 B6R0.6 CCSCCNC 34a_100102657272_100000757381 [1,0,1,0,0,0|1,0,1]=4 1052 B6R0.6 CCSCCNC 7a_106832991635_100000757381 [1,0,1,0,0,0|1,0,1]=4 1053 B6R0.6 CCSCCN[13CH3] 2230a_100000106463_200025704644 [1,0,1,0,0,0|1,0,1]=4 1054 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1055 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [1,0,1,0,0,0|1,0,0]=3 1056 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [1,0,1,0,0,0|1,0,1]=4 1057 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [1,0,1,0,0,0|1,0,1]=4 1058 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [1,0,1,0,0,0|1,0,1]=4 1059 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [1,0,1,0,0,0|1,0,1]=4 1060 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [1,0,1,0,0,0|1,0,1]=4 1061 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [1,0,1,0,0,0|1,0,1]=4 1062 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [1,0,1,0,0,0|1,0,1]=4 1063 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [1,0,1,0,0,0|1,0,1]=4 1064 B6R0.6 CNCCCOC 2230a_106832991635_100000740836 [1,0,1,0,0,0|1,0,1]=4 1065 B6R0.6 CNCCCOC 34a_100000213112_200000210301 [1,0,1,0,0,0|1,0,1]=4 1066 B6R0.6 CNCCCOC 34a_100102657272_100000740836 [1,0,1,0,0,0|1,0,1]=4 1067 B6R0.6 CNCCCOC 34a_100150723488_200000210301 [1,0,1,0,0,0|1,0,1]=4 1068 B6R0.6 CNCCCOC 7a_106832991635_100000740836 [1,0,1,0,0,0|1,0,1]=4 1069 B6R0.6 CNCCCO[13CH3] 34a_100000213112_200025704644 [1,0,1,0,0,0|1,0,1]=4 1070 B6R0.6 CNCCCSC 2230a_100000749238_200000210301 [1,0,1,0,0,0|1,0,1]=4 1071 B6R0.6 COCCCCN 34a_100000750430_200000210301 [1,0,1,0,0,0|1,0,1]=4 1072 B6R0.6 COCCCN[13CH3] 34a_100150723488_200025704644 [1,0,1,0,0,0|1,0,1]=4 1073 B6R0.6 COCSCC=O 62a_100000766300_200015260668 [1,0,1,0,0,0|2,0,0]=4 1074 B6R0.6 COCSCC=O 62a_200015260668_100000766300 [1,0,1,0,0,0|2,0,0]=4 1075 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [1,0,1,0,0,0|1,0,0]=3 1076 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [1,0,1,0,0,0|1,0,0]=3 1077 B6R0.6 CSCCCN[13CH3] 2230a_100000749238_200025704644 [1,0,1,0,0,0|1,0,1]=4 1078 B6R0.6 CSCSCC=O 62a_100011218213_200015260668 [1,0,1,0,0,0|2,0,0]=4 1079 B6R0.6 CSCSCC=O 62a_200015260668_100011218213 [1,0,1,0,0,0|2,0,0]=4 1080 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [1,0,1,0,0,0|2,0,0]=4 1081 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [1,0,1,0,0,0|1,0,0]=3 1082 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [1,0,1,0,0,0|2,0,0]=4 1083 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [1,0,1,0,0,0|1,0,1]=4 1084 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [1,0,1,0,0,0|2,0,0]=4 1085 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [1,0,1,0,0,0|2,0,0]=4 1086 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [1,0,1,0,0,0|2,0,0]=4 1087 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [1,0,1,0,0,0|2,0,0]=4 1088 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [1,0,1,0,0,0|2,0,0]=4 1089 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [1,0,1,0,0,0|2,0,0]=4 1090 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [1,0,1,0,0,0|2,0,0]=4 1091 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [1,0,1,0,0,0|2,0,0]=4 1092 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [1,0,1,0,0,0|1,0,1]=4 1093 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [1,0,1,0,0,0|1,0,1]=4 1094 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [1,0,1,0,0,0|1,0,1]=4 1095 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [1,0,1,0,0,0|1,0,0]=3 1096 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [1,0,1,0,0,0|1,0,0]=3 1097 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,0,1,0,0,0|0,0,2]=4 1098 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,0,1,0,0,0|0,0,2]=4 1099 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,0,1,0,0,0|0,0,2]=4 1100 B6R0.1 C#CCC(=O)NC 1626a_100102657272_100011220946 [1,0,1,0,0,0|0,0,2]=4 1101 B6R0.1 C#CCC(=O)NC 527a_100102657272_100011220946 [1,0,1,0,0,0|0,0,2]=4 1102 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,0,1,0,0,0|0,0,2]=4 1103 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,0,1,0,0,0|0,0,2]=4 1104 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,0,1,0,0,0|0,0,2]=4 1105 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,0,1,0,0,0|0,0,2]=4 1106 B6R0.1 C=CCC(=O)NC 11a_106832991635_100000210193 [1,0,1,0,0,0|0,0,2]=4 1107 B6R0.1 C=CCC(=O)NC 1626a_100102657272_100000210193 [1,0,1,0,0,0|0,0,2]=4 1108 B6R0.1 C=CCC(=O)NC 240690a_100102657272_100000210193 [1,0,1,0,0,0|0,0,2]=4 1109 B6R0.1 C=CCC(=O)NC 527a_100102657272_100000210193 [1,0,1,0,0,0|0,0,2]=4 1110 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,0,1,0,0,0|0,0,2]=4 1111 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,0,1,0,0,0|0,0,2]=4 1112 B6R0.1 CC=CC(=O)NC 11a_106832991635_100000210699 [1,0,1,0,0,0|0,0,2]=4 1113 B6R0.1 CC=CC(=O)NC 1626a_100102657272_100000210699 [1,0,1,0,0,0|0,0,2]=4 1114 B6R0.1 CC=CC(=O)NC 240690a_100102657272_100000210699 [1,0,1,0,0,0|0,0,2]=4 1115 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,0,1,0,0,0|1,0,1]=4 1116 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,0,1,0,0,0|1,0,1]=4 1117 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,1,0,0,0|1,0,0]=3 1118 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,1,0,0,0|1,0,0]=3 1119 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,1,0,0,0|1,0,0]=3 1120 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,0,1,0,0,0|1,0,0]=3 1121 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,0,1,0,0,0|1,0,0]=3 1122 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,0,1,0,0,0|1,0,0]=3 1123 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,0,1,0,0,0|1,0,0]=3 1124 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,0,1,0,0,0|1,0,0]=3 1125 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,0,1,0,0,0|1,0,0]=3 1126 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,0,1,0,0,0|1,0,0]=3 1127 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,0,1,0,0,0|1,0,0]=3 1128 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,0,1,0,0,0|1,0,0]=3 1129 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,0,1,0,0,0|1,0,0]=3 1130 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,1,0,0,0|0,0,0]=2 1131 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,1,0,0,0|0,0,0]=2 1132 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,1,0,0,0|1,0,0]=3 1133 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,1,0,0,0|1,0,0]=3 1134 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,0,1,0,0,0|0,0,0]=2 1135 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,0,1,0,0,0|0,0,0]=2 1136 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,0,1,0,0,0|0,0,0]=2 1137 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,0,1,0,0,0|0,0,0]=2 1138 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,1,0,0,0|1,0,1]=4 1139 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 1140 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,1,0,0,0|1,0,1]=4 1141 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,1,0,0,0|1,0,1]=4 1142 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,1,0,0,0|1,0,1]=4 1143 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,1,0,0,0|1,0,1]=4 1144 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 1145 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 1146 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,1,0,0,0|2,0,0]=4 1147 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,1,0,0,0|2,0,0]=4 1148 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,1,0,0,0|2,0,0]=4 1149 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,1,0,0,0|2,0,0]=4 1150 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 1151 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,1,0,0,0|2,0,0]=4 1152 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,0,1,0,0,0|0,0,0]=2 1153 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,0,1,0,0,0|0,0,0]=2 1154 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,0,1,0,0,0|0,0,0]=2 1155 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,1,0,0,0|1,0,0]=3 1156 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,1,0,0,0|1,0,0]=3 1157 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,0,1,0,0,0|1,0,0]=3 1158 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,0,1,0,0,0|1,0,0]=3 1159 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,0,1,0,0,0|1,0,0]=3 1160 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,0,1,0,0,0|1,0,0]=3 1161 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,0,1,0,0,0|1,0,0]=3 1162 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,0,1,0,0,0|1,0,0]=3 1163 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,1,0,0,0|1,0,1]=4 1164 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,1,0,0,0|1,0,1]=4 1165 B6R0.1 CNC(=O)CC#N 1626a_100102657272_100051588842 [1,0,1,0,0,0|1,0,1]=4 1166 B6R0.1 CNC(=O)CC#N 240690a_100102657272_100051588842 [1,0,1,0,0,0|1,0,1]=4 1167 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,1,0,0,0|1,0,0]=3 1168 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,0,1,0,0,0|1,0,0]=3 1169 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,0,1,0,0,0|1,0,0]=3 1170 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,0,1,0,0,0|1,0,0]=3 1171 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,0,1,0,0,0|1,0,0]=3 1172 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,0,1,0,0,0|1,0,0]=3 1173 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,0,1,0,0,0|1,0,0]=3 1174 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,0,1,0,0,0|1,0,0]=3 1175 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,0,1,0,0,0|1,0,0]=3 1176 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,0,1,0,0,0|1,0,0]=3 1177 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,0,1,0,0,0|1,0,0]=3 1178 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,0,1,0,0,0|1,0,0]=3 1179 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,0,1,0,0,0|1,0,0]=3 1180 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,0,1,0,0,0|1,0,0]=3 1181 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,0,1,0,0,0|1,0,0]=3 1182 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,0,1,0,0,0|1,0,0]=3 1183 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,0,1,0,0,0|1,0,0]=3 1184 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,0,1,0,0,0|1,0,0]=3 1185 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,0,1,0,0,0|1,0,0]=3 1186 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,0,1,0,0,0|1,0,0]=3 1187 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,0,1,0,0,0|1,0,0]=3 1188 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 1189 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,0,1,0,0,0|2,0,0]=4 1190 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,0,1,0,0,0|2,0,0]=4 1191 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,0,1,0,0,0|2,0,0]=4 1192 B6R0.1 CNNC(=O)NC 273464a_100102657272_100016993582 [1,0,1,0,0,0|2,0,0]=4 1193 B6R0.1 CNNC(=O)NC 512a_100016993582_100102657272 [1,0,1,0,0,0|2,0,0]=4 1194 B6R0.1 CNNC(=O)NC 512a_106832991638_100016993582 [1,0,1,0,0,0|2,0,0]=4 1195 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,0,1,0,0,0|2,0,0]=4 1196 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,0,1,0,0,0|2,0,0]=4 1197 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,0,1,0,0,0|2,0,0]=4 1198 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,0,1,0,0,0|2,0,0]=4 1199 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,0,1,0,0,0|2,0,0]=4 1200 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,0,1,0,0,0|2,0,0]=4 1201 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,0,1,0,0,0|2,0,0]=4 1202 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,1,0,0,0|2,0,0]=4 1203 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,1,0,0,0|2,0,0]=4 1204 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,1,0,0,0|2,0,0]=4 1205 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,0,1,0,0,0|0,0,2]=4 1206 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,0,1,0,0,0|0,0,2]=4 1207 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,0,1,0,0,0|0,0,2]=4 1208 B6R0.4 C#CCNC(=O)C 11a_100000212058_100015343762 [1,0,1,0,0,0|0,0,2]=4 1209 B6R0.4 C#CCNC(=O)C 1626a_100000212058_100015343762 [1,0,1,0,0,0|0,0,2]=4 1210 B6R0.4 C#CCNC(=O)C 240690a_100000212058_100015343762 [1,0,1,0,0,0|0,0,2]=4 1211 B6R0.4 C#CCNC(=O)C 527a_100000212058_100103153847 [1,0,1,0,0,0|0,0,2]=4 1212 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,0,1,0,0,0|0,0,2]=4 1213 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 1214 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,0,1,0,0,0|2,0,0]=4 1215 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,0,1,0,0,0|2,0,0]=4 1216 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,0,1,0,0,0|2,0,0]=4 1217 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,0,1,0,0,0|2,0,0]=4 1218 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,0,1,0,0,0|2,0,0]=4 1219 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,0,1,0,0,0|2,0,0]=4 1220 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,0,1,0,0,0|2,0,0]=4 1221 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,0,1,0,0,0|2,0,0]=4 1222 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,0,1,0,0,0|2,0,0]=4 1223 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,0,1,0,0,0|2,0,0]=4 1224 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,0,1,0,0,0|2,0,0]=4 1225 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,0,1,0,0,0|2,0,0]=4 1226 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,0,1,0,0,0|2,0,0]=4 1227 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,0,1,0,0,0|2,0,0]=4 1228 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,0,1,0,0,0|0,0,2]=4 1229 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,0,1,0,0,0|0,0,2]=4 1230 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,0,1,0,0,0|0,0,2]=4 1231 B6R0.4 C=CCNC(=O)C 1626a_100020586998_100015343762 [1,0,1,0,0,0|0,0,2]=4 1232 B6R0.4 C=CCNC(=O)C 240690a_100020586998_100015343762 [1,0,1,0,0,0|0,0,2]=4 1233 B6R0.4 C=CCNC(=O)C 527a_100020586998_100103153847 [1,0,1,0,0,0|0,0,2]=4 1234 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,0,1,0,0,0|0,0,2]=4 1235 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,0,1,0,0,0|1,0,1]=4 1236 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,0,1,0,0,0|1,0,1]=4 1237 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,0,1,0,0,0|1,0,0]=3 1238 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,0,1,0,0,0|1,0,0]=3 1239 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 1240 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,0,1,0,0,0|1,0,0]=3 1241 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,0,1,0,0,0|1,0,0]=3 1242 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,0,1,0,0,0|1,0,0]=3 1243 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,0,1,0,0,0|2,0,0]=4 1244 B6R0.4 CC(=O)NCC#N 1626a_100000734998_100015343762 [1,0,1,0,0,0|1,0,1]=4 1245 B6R0.4 CC(=O)NCC#N 527a_100000734998_100103153847 [1,0,1,0,0,0|1,0,1]=4 1246 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,0,1,0,0,0|1,0,0]=3 1247 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,0,1,0,0,0|1,0,0]=3 1248 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,0,1,0,0,0|1,0,0]=3 1249 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,0,1,0,0,0|1,0,0]=3 1250 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,0,1,0,0,0|1,0,0]=3 1251 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,0,1,0,0,0|1,0,0]=3 1252 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,0,1,0,0,0|2,0,0]=4 1253 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,0,1,0,0,0|2,0,0]=4 1254 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,0,1,0,0,0|0,0,2]=4 1255 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,0,1,0,0,0|0,0,2]=4 1256 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,0,1,0,0,0|0,0,2]=4 1257 B6R0.4 CC=NNC(=O)C 4a_100000189765_200000210099 [1,0,1,0,0,0|1,0,1]=4 1258 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,0,1,0,0,0|0,0,2]=4 1259 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,0,1,0,0,0|0,0,2]=4 1260 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,0,1,0,0,0|0,0,2]=4 1261 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,0,1,0,0,0|0,0,2]=4 1262 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,0,1,0,0,0|0,0,0]=2 1263 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,0,1,0,0,0|0,0,0]=2 1264 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,0,1,0,0,0|0,0,0]=2 1265 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [1,0,1,0,0,0|2,0,0]=4 1266 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [1,0,1,0,0,0|2,0,0]=4 1267 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [1,0,1,0,0,0|2,0,0]=4 1268 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [1,0,1,0,0,0|2,0,0]=4 1269 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [1,0,1,0,0,0|2,0,0]=4 1270 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [1,0,1,0,0,0|2,0,0]=4 1271 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,0,1,0,0,0|0,0,0]=2 1272 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,0,1,0,0,0|0,0,0]=2 1273 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,0,1,0,0,0|0,0,0]=2 1274 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,0,1,0,0,0|0,0,0]=2 1275 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 1276 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,0,1,0,0,0|1,0,1]=4 1277 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,0,1,0,0,0|1,0,0]=3 1278 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,0,1,0,0,0|1,0,0]=3 1279 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,0,1,0,0,0|2,0,0]=4 1280 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,0,1,0,0,0|1,0,0]=3 1281 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,0,1,0,0,0|1,0,0]=3 1282 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,0,1,0,0,0|1,0,0]=3 1283 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,0,1,0,0,0|1,0,0]=3 1284 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,0,1,0,0,0|1,0,0]=3 1285 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,0,1,0,0,0|2,0,0]=4 1286 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,0,1,0,0,0|1,0,0]=3 1287 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,0,1,0,0,0|1,0,0]=3 1288 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,0,1,0,0,0|1,0,0]=3 1289 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,0,1,0,0,0|1,0,0]=3 1290 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,0,1,0,0,0|2,0,0]=4 1291 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,0,1,0,0,0|2,0,0]=4 1292 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,0,1,0,0,0|1,0,0]=3 1293 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,0,1,0,0,0|1,0,0]=3 1294 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,0,1,0,0,0|1,0,0]=3 1295 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,0,1,0,0,0|1,0,0]=3 1296 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,0,1,0,0,0|2,0,0]=4 1297 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,0,1,0,0,0|1,0,0]=3 1298 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,0,1,0,0,0|1,0,0]=3 1299 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1300 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,0,1,0,0,0|1,0,0]=3 1301 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,0,1,0,0,0|1,0,0]=3 1302 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,0,1,0,0,0|1,0,0]=3 1303 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,0,1,0,0,0|1,0,0]=3 1304 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,0,1,0,0,0|1,0,0]=3 1305 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,0,1,0,0,0|2,0,0]=4 1306 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,0,1,0,0,0|1,0,0]=3 1307 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,0,1,0,0,0|1,0,0]=3 1308 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,0,1,0,0,0|1,0,0]=3 1309 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,0,1,0,0,0|1,0,0]=3 1310 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,0,1,0,0,0|1,0,0]=3 1311 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,0,1,0,0,0|1,0,0]=3 1312 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,0,1,0,0,0|1,0,0]=3 1313 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,0,1,0,0,0|2,0,0]=4 1314 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,0,1,0,0,0|2,0,0]=4 1315 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,0,1,0,0,0|2,0,0]=4 1316 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,0,1,0,0,0|2,0,0]=4 1317 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,0,1,0,0,0|1,0,1]=4 1318 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,0,1,0,0,0|1,0,0]=3 1319 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,0,1,0,0,0|1,0,0]=3 1320 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,0,1,0,0,0|1,0,0]=3 1321 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,0,1,0,0,0|1,0,0]=3 1322 B8R0.1 CC(CCBr)OCC=O 34a_100012276601_200009817547 [0,1,1,0,0,0|2,0,0]=4 1323 B8R0.1 CC(CCO)SCC=O 62a_100009893172_200015260668 [0,1,1,0,0,0|2,0,0]=4 1324 B8R0.1 CC(CCO)SCC=O 62a_200015260668_100009893172 [0,1,1,0,0,0|2,0,0]=4 1325 B8R0.1 CCCC(C)CNCC 2230a_100015525214_100011216630 [0,1,1,0,0,0|1,0,1]=4 1326 B8R0.1 CCCC(C)CNCC 270004a_100015525214_100000243154 [0,1,1,0,0,0|1,0,1]=4 1327 B8R0.1 CCCC(C)NCC=O 2230a_100000741246_200015260668 [0,1,1,0,0,0|2,0,0]=4 1328 B8R0.1 CCCC(C)OCC=O 34a_100000764384_200009817547 [0,1,1,0,0,0|2,0,0]=4 1329 B8R0.1 CCCC(C)OCC=O 7a_100000764384_200015260668 [0,1,1,0,0,0|2,0,0]=4 1330 B8R0.1 CCCC(C)SCC=O 62a_100000766640_200015260668 [0,1,1,0,0,0|2,0,0]=4 1331 B8R0.1 CCCC(C)SCC=O 62a_200015260668_100000766640 [0,1,1,0,0,0|2,0,0]=4 1332 B8R0.1 CCCCC(C)NCC 2230a_100000126638_100000210202 [0,1,1,0,0,0|1,0,1]=4 1333 B8R0.1 CCCCC(C)NCC 2230a_100015525214_200011215066 [0,1,1,0,0,0|1,0,1]=4 1334 B8R0.1 CCCCC(C)NCC 270004a_100015525214_100000210087 [0,1,1,0,0,0|1,0,1]=4 1335 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [0,1,1,0,0,0|2,0,0]=4 1336 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [0,1,1,0,0,0|2,0,0]=4 1337 B8R0.1 CN(CC=O)CCCO 2230a_100000213112_200015260668 [0,1,1,0,0,0|2,0,0]=4 1338 B8R0.1 CN(CC=O)CCCO 269982a_100000213112_200015260668 [0,1,1,0,0,0|2,0,0]=4 1339 B8R0.1 C[C@H](CCO)NCC=O 2230a_100000706166_200015260668 [0,1,1,0,0,0|2,0,0]=4 1340 B8R0.1 C[C@H](CCO)NCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|2,0,0]=4 1341 B8R0.4 C#CCCCCCNC 2230a_106832991635_100012094781 [0,1,1,0,0,0|1,0,1]=4 1342 B8R0.4 C#CCCCCCNC 34a_100102657272_100012094781 [0,1,1,0,0,0|1,0,1]=4 1343 B8R0.4 C#CCCCCCNC 7a_106832991635_100012094781 [0,1,1,0,0,0|1,0,1]=4 1344 B8R0.4 C#CCCCNCC=O 34a_100000718082_200009817547 [0,1,1,0,0,0|0,0,2]=4 1345 B8R0.4 C#CCCCOCC=O 34a_100000215630_200009817547 [0,1,1,0,0,0|1,0,1]=4 1346 B8R0.4 C#CCCCOCC=O 7a_100000215630_200015260668 [0,1,1,0,0,0|1,0,1]=4 1347 B8R0.4 C#CCCCOCCN 34a_100000210304_100000695029 [0,1,1,0,0,0|1,0,1]=4 1348 B8R0.4 C#CCCCSCC=O 62a_100011215417_200015260668 [0,1,1,0,0,0|1,0,1]=4 1349 B8R0.4 C#CCCCSCC=O 62a_200015260668_100011215417 [0,1,1,0,0,0|1,0,1]=4 1350 B8R0.4 C#CCCOCCCN 34a_100000182051_100000688953 [0,1,1,0,0,0|1,0,1]=4 1351 B8R0.4 C#CCNCCCCC 2230a_100000209983_100000038162 [0,1,1,0,0,0|1,0,1]=4 1352 B8R0.4 C#CCNCCCCC 34a_100000212058_100000718602 [0,1,1,0,0,0|1,0,1]=4 1353 B8R0.4 C#CCOCCCCN 34a_100000750430_100000184674 [0,1,1,0,0,0|1,0,1]=4 1354 B8R0.4 C#CCSCCCC=O 62a_100000038162_200011292268 [0,1,1,0,0,0|1,0,1]=4 1355 B8R0.4 C/C=C/CCOCCC 34a_100016278192_100000210303 [0,1,1,0,0,0|2,0,0]=4 1356 B8R0.4 C/C=C/CNCCCC 7a_106832991798_100102629194 [0,1,1,0,0,0|2,0,0]=4 1357 B8R0.4 C/C=C/COCCCC 34a_100000210227_100102629194 [0,1,1,0,0,0|2,0,0]=4 1358 B8R0.4 C/C=C/COCCCC 34a_100016270725_100000210210 [0,1,1,0,0,0|2,0,0]=4 1359 B8R0.4 C/C=C/COCCCC 7a_100000210227_100102629194 [0,1,1,0,0,0|2,0,0]=4 1360 B8R0.4 C/C=C/COCCCN 34a_100000182051_100102629194 [0,1,1,0,0,0|1,0,1]=4 1361 B8R0.4 C/C=C/CSCCCC 62a_100000210211_100102629194 [0,1,1,0,0,0|2,0,0]=4 1362 B8R0.4 C/C=C/CSCCCC 62a_100102629194_100000210210 [0,1,1,0,0,0|2,0,0]=4 1363 B8R0.4 C=CCCCCCNC 2230a_106832991635_100000700193 [0,1,1,0,0,0|1,0,0]=3 1364 B8R0.4 C=CCCCCCNC 34a_100102657272_100000700193 [0,1,1,0,0,0|1,0,0]=3 1365 B8R0.4 C=CCCCCCNC 7a_106832991635_100000700193 [0,1,1,0,0,0|1,0,0]=3 1366 B8R0.4 C=CCCCCCOC 34a_100011216702_200000210301 [0,1,1,0,0,0|2,0,0]=4 1367 B8R0.4 C=CCCCCCOC 34a_100138415774_100000700193 [0,1,1,0,0,0|2,0,0]=4 1368 B8R0.4 C=CCCCCCOC 7a_100011216702_200000210301 [0,1,1,0,0,0|2,0,0]=4 1369 B8R0.4 C=CCCCCCO[13CH3] 34a_100011216702_200025704644 [0,1,1,0,0,0|2,0,0]=4 1370 B8R0.4 C=CCCCCCO[13CH3] 7a_100011216702_200025704644 [0,1,1,0,0,0|2,0,0]=4 1371 B8R0.4 C=CCCCCCSC 62a_100000700193_200000210301 [0,1,1,0,0,0|2,0,0]=4 1372 B8R0.4 C=CCCCCCSC 62a_200000210301_100000700193 [0,1,1,0,0,0|2,0,0]=4 1373 B8R0.4 C=CCCCCCS[13CH3] 62a_100000700193_200025704644 [0,1,1,0,0,0|2,0,0]=4 1374 B8R0.4 C=CCCCCCS[13CH3] 62a_200025704644_100000700193 [0,1,1,0,0,0|2,0,0]=4 1375 B8R0.4 C=CCCCCNCC 2230a_100000703577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1376 B8R0.4 C=CCCCCNCC 2230a_100015525214_100011215482 [0,1,1,0,0,0|2,0,0]=4 1377 B8R0.4 C=CCCCCNCC 34a_100000703577_100000210202 [0,1,1,0,0,0|2,0,0]=4 1378 B8R0.4 C=CCCCCNCF 34a_100000703577_100015361967 [0,1,1,0,0,0|2,0,0]=4 1379 B8R0.4 C=CCCCCOCC 34a_100000766645_100000210202 [0,1,1,0,0,0|2,0,0]=4 1380 B8R0.4 C=CCCCCOCC 34a_100121572206_100011215482 [0,1,1,0,0,0|2,0,0]=4 1381 B8R0.4 C=CCCCCOCC 7a_100000766645_100000210202 [0,1,1,0,0,0|2,0,0]=4 1382 B8R0.4 C=CCCCCOCF 34a_100000766645_100015361967 [0,1,1,0,0,0|2,0,0]=4 1383 B8R0.4 C=CCCCCOCF 7a_100000766645_100015361967 [0,1,1,0,0,0|2,0,0]=4 1384 B8R0.4 C=CCCCCSCC 62a_100000210202_100011215482 [0,1,1,0,0,0|2,0,0]=4 1385 B8R0.4 C=CCCCCSCC 62a_100011215482_100000210202 [0,1,1,0,0,0|2,0,0]=4 1386 B8R0.4 C=CCCCCSCF 62a_100011215482_100015361967 [0,1,1,0,0,0|2,0,0]=4 1387 B8R0.4 C=CCCCCSCF 62a_100015361967_100011215482 [0,1,1,0,0,0|2,0,0]=4 1388 B8R0.4 C=CCCCNCC=O 2230a_100000700776_200015260668 [0,1,1,0,0,0|0,0,2]=4 1389 B8R0.4 C=CCCCNCC=O 34a_100000700776_200009817547 [0,1,1,0,0,0|0,0,2]=4 1390 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,1,1,0,0,0|2,0,0]=4 1391 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,1,1,0,0,0|2,0,0]=4 1392 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,1,1,0,0,0|2,0,0]=4 1393 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,1,1,0,0,0|2,0,0]=4 1394 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,1,1,0,0,0|2,0,0]=4 1395 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,1,1,0,0,0|2,0,0]=4 1396 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,1,1,0,0,0|2,0,0]=4 1397 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,1,1,0,0,0|2,0,0]=4 1398 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,1,1,0,0,0|2,0,0]=4 1399 B8R0.4 C=CCCCOCC=O 34a_100000758997_200009817547 [0,1,1,0,0,0|1,0,1]=4 1400 B8R0.4 C=CCCCOCC=O 7a_100000758997_200015260668 [0,1,1,0,0,0|1,0,1]=4 1401 B8R0.4 C=CCCCOCCBr 34a_100000211926_100000757094 [0,1,1,0,0,0|2,0,0]=4 1402 B8R0.4 C=CCCCOCCC 34a_100000210258_100000757094 [0,1,1,0,0,0|2,0,0]=4 1403 B8R0.4 C=CCCCOCCC 34a_100000758997_100000210303 [0,1,1,0,0,0|2,0,0]=4 1404 B8R0.4 C=CCCCOCCC 7a_100000758997_100000210303 [0,1,1,0,0,0|2,0,0]=4 1405 B8R0.4 C=CCCCOCCF 34a_100000758997_100011217306 [0,1,1,0,0,0|2,0,0]=4 1406 B8R0.4 C=CCCCOCCF 7a_100000758997_100011217306 [0,1,1,0,0,0|2,0,0]=4 1407 B8R0.4 C=CCCCOCCN 34a_100000210304_100000757094 [0,1,1,0,0,0|1,0,0]=3 1408 B8R0.4 C=CCCCOCCO 34a_100000758997_100000211926 [0,1,1,0,0,0|2,0,0]=4 1409 B8R0.4 C=CCCCOCCO 7a_100000758997_100000211926 [0,1,1,0,0,0|2,0,0]=4 1410 B8R0.4 C=CCCCSCC=O 62a_100011713584_200015260668 [0,1,1,0,0,0|1,0,1]=4 1411 B8R0.4 C=CCCCSCC=O 62a_200015260668_100000757094 [0,1,1,0,0,0|1,0,1]=4 1412 B8R0.4 C=CCCCSCCC 62a_100000210303_100000757094 [0,1,1,0,0,0|2,0,0]=4 1413 B8R0.4 C=CCCCSCCC 62a_100011713584_100000210303 [0,1,1,0,0,0|2,0,0]=4 1414 B8R0.4 C=CCCCSCCF 62a_100011217306_100000757094 [0,1,1,0,0,0|2,0,0]=4 1415 B8R0.4 C=CCCCSCCF 62a_100011713584_100011217306 [0,1,1,0,0,0|2,0,0]=4 1416 B8R0.4 C=CCCCSCCO 62a_100000211926_100000757094 [0,1,1,0,0,0|2,0,0]=4 1417 B8R0.4 C=CCCCSCCO 62a_100011713584_100000211926 [0,1,1,0,0,0|2,0,0]=4 1418 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,1,1,0,0,0|2,0,0]=4 1419 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,1,1,0,0,0|2,0,0]=4 1420 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,1,1,0,0,0|2,0,0]=4 1421 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,1,1,0,0,0|2,0,0]=4 1422 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,1,1,0,0,0|2,0,0]=4 1423 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,1,1,0,0,0|2,0,0]=4 1424 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,1,1,0,0,0|2,0,0]=4 1425 B8R0.4 C=CCCOCCCBr 34a_100011217188_100000754431 [0,1,1,0,0,0|2,0,0]=4 1426 B8R0.4 C=CCCOCCCC 34a_100000210227_100000754431 [0,1,1,0,0,0|2,0,0]=4 1427 B8R0.4 C=CCCOCCCC 34a_100011205117_100000210210 [0,1,1,0,0,0|2,0,0]=4 1428 B8R0.4 C=CCCOCCCC 7a_100000210227_100000754431 [0,1,1,0,0,0|2,0,0]=4 1429 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,1,1,0,0,0|2,0,0]=4 1430 B8R0.4 C=CCCOCCCF 34a_100000759539_100000754431 [0,1,1,0,0,0|2,0,0]=4 1431 B8R0.4 C=CCCOCCCF 34a_100011205117_100011934791 [0,1,1,0,0,0|2,0,0]=4 1432 B8R0.4 C=CCCOCCCN 34a_100000182051_100000754431 [0,1,1,0,0,0|1,0,0]=3 1433 B8R0.4 C=CCCOCCCO 34a_100011205117_100000230001 [0,1,1,0,0,0|2,0,0]=4 1434 B8R0.4 C=CCCOCCON 34a_100000700252_100000754431 [0,1,1,0,0,0|2,0,0]=4 1435 B8R0.4 C=CCCSCCCC 62a_100000210211_100000754431 [0,1,1,0,0,0|2,0,0]=4 1436 B8R0.4 C=CCCSCCCC 62a_100000754431_100000210210 [0,1,1,0,0,0|2,0,0]=4 1437 B8R0.4 C=CCCSCCCF 62a_100000754431_100011934791 [0,1,1,0,0,0|2,0,0]=4 1438 B8R0.4 C=CCCSCCCF 62a_100011934791_100000754431 [0,1,1,0,0,0|2,0,0]=4 1439 B8R0.4 C=CCCSCCCO 62a_100000754431_100011215043 [0,1,1,0,0,0|2,0,0]=4 1440 B8R0.4 C=CCCSCCCO 62a_100011215043_100000754431 [0,1,1,0,0,0|2,0,0]=4 1441 B8R0.4 C=CCNCCCC=O 2230a_100020586998_200011292268 [0,1,1,0,0,0|1,0,1]=4 1442 B8R0.4 C=CCNCCCCC 2230a_100000209983_100000210623 [0,1,1,0,0,0|1,0,0]=3 1443 B8R0.4 C=CCNCCCCC 2230a_100020586998_100000210326 [0,1,1,0,0,0|1,0,0]=3 1444 B8R0.4 C=CCNCCCCF 2230a_100020586998_100000729493 [0,1,1,0,0,0|2,0,0]=4 1445 B8R0.4 C=CCNCCCCO 2230a_100000750430_100000210623 [0,1,1,0,0,0|2,0,0]=4 1446 B8R0.4 C=CCNCCCCO 2230a_100020586998_100000210776 [0,1,1,0,0,0|2,0,0]=4 1447 B8R0.4 C=CCNCCCCO 34a_100000750430_100015514636 [0,1,1,0,0,0|2,0,0]=4 1448 B8R0.4 C=CCNCCCOC 2230a_100020586998_100000740836 [0,1,1,0,0,0|2,0,0]=4 1449 B8R0.4 C=CCNCCCOC 34a_100150723488_100015514636 [0,1,1,0,0,0|2,0,0]=4 1450 B8R0.4 C=CCNCCCSC 2230a_100000749238_100000210623 [0,1,1,0,0,0|2,0,0]=4 1451 B8R0.4 C=CCNCCOCC 2230a_100020586998_100011215890 [0,1,1,0,0,0|2,0,0]=4 1452 B8R0.4 C=CCNCCOCC 2230a_102516460346_100000210623 [0,1,1,0,0,0|2,0,0]=4 1453 B8R0.4 C=CCNCCOCC 34a_102516460346_100015514636 [0,1,1,0,0,0|2,0,0]=4 1454 B8R0.4 C=CCNCCSCC 2230a_100000106463_100000210623 [0,1,1,0,0,0|2,0,0]=4 1455 B8R0.4 C=CCNCCSCC 2230a_100020586998_100000757381 [0,1,1,0,0,0|2,0,0]=4 1456 B8R0.4 C=CCOCCCCBr 34a_100011216708_100015514636 [0,1,1,0,0,0|2,0,0]=4 1457 B8R0.4 C=CCOCCCCC 34a_100000210253_100015514636 [0,1,1,0,0,0|2,0,0]=4 1458 B8R0.4 C=CCOCCCCC 34a_200000210373_100000718602 [0,1,1,0,0,0|2,0,0]=4 1459 B8R0.4 C=CCOCCCCC 7a_100000210253_100015514636 [0,1,1,0,0,0|2,0,0]=4 1460 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,1,1,0,0,0|2,0,0]=4 1461 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,1,1,0,0,0|2,0,0]=4 1462 B8R0.4 C=CCOCCCCF 34a_100011995726_100015514636 [0,1,1,0,0,0|2,0,0]=4 1463 B8R0.4 C=CCOCCCCF 34a_200000210373_100000729493 [0,1,1,0,0,0|2,0,0]=4 1464 B8R0.4 C=CCOCCCCF 7a_100011995726_100015514636 [0,1,1,0,0,0|2,0,0]=4 1465 B8R0.4 C=CCOCCCCI 34a_200012148704_100015514636 [0,1,1,0,0,0|2,0,0]=4 1466 B8R0.4 C=CCOCCCCN 34a_100000750430_100015514636 [0,1,1,0,0,0|1,0,0]=3 1467 B8R0.4 C=CCOCCCCO 34a_200000210373_100011216708 [0,1,1,0,0,0|2,0,0]=4 1468 B8R0.4 C=CCOCCCNC 34a_100000213112_100015514636 [0,1,1,0,0,0|2,0,0]=4 1469 B8R0.4 C=CCSCCCC=O 62a_100000210623_200011292268 [0,1,1,0,0,0|1,0,1]=4 1470 B8R0.4 C=CCSCCCC=O 62a_200011292268_100000210623 [0,1,1,0,0,0|1,0,1]=4 1471 B8R0.4 C=CCSCCCCC 62a_100000210326_100000210623 [0,1,1,0,0,0|2,0,0]=4 1472 B8R0.4 C=CCSCCCCC 62a_100000210623_100000210326 [0,1,1,0,0,0|2,0,0]=4 1473 B8R0.4 C=CCSCCCCF 62a_100000210623_100000729493 [0,1,1,0,0,0|2,0,0]=4 1474 B8R0.4 C=CCSCCCCF 62a_100000729493_100000210623 [0,1,1,0,0,0|2,0,0]=4 1475 B8R0.4 C=CCSCCCCO 62a_100000210623_100000210776 [0,1,1,0,0,0|2,0,0]=4 1476 B8R0.4 C=CCSCCCCO 62a_100000210776_100000210623 [0,1,1,0,0,0|2,0,0]=4 1477 B8R0.4 C=COCCCCOC 34a_100000031558_200000210301 [0,1,1,0,0,0|2,0,0]=4 1478 B8R0.4 C=COCCCCOC 7a_100000031558_200000210301 [0,1,1,0,0,0|2,0,0]=4 1479 B8R0.4 C=COCCCCO[13CH3] 34a_100000031558_200025704644 [0,1,1,0,0,0|2,0,0]=4 1480 B8R0.4 C=COCCCCO[13CH3] 7a_100000031558_200025704644 [0,1,1,0,0,0|2,0,0]=4 1481 B8R0.4 C=COCCCNCC 2230a_100000210767_100000210202 [0,1,1,0,0,0|2,0,0]=4 1482 B8R0.4 C=COCCCNCC 34a_100000210767_100000210202 [0,1,1,0,0,0|2,0,0]=4 1483 B8R0.4 C=COCCOCCC 34a_100000033082_100000210303 [0,1,1,0,0,0|2,0,0]=4 1484 B8R0.4 C=COCCOCCC 34a_100000210258_100000039644 [0,1,1,0,0,0|2,0,0]=4 1485 B8R0.4 C=COCCOCCN 34a_100000210304_100000039644 [0,1,1,0,0,0|2,0,0]=4 1486 B8R0.4 C=COCCSCCC 62a_100000039644_100000210303 [0,1,1,0,0,0|2,0,0]=4 1487 B8R0.4 C=COCCSCCC 62a_100000210303_100000039644 [0,1,1,0,0,0|2,0,0]=4 1488 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [0,1,1,0,0,0|2,0,0]=4 1489 B8R0.4 CC=CCNCCCC 2230a_100000102301_100000070051 [0,1,1,0,0,0|2,0,0]=4 1490 B8R0.4 CC=CCNCCCC 7a_106832991798_100000070051 [0,1,1,0,0,0|2,0,0]=4 1491 B8R0.4 CC=CCOCCCC 34a_100000210227_100000070051 [0,1,1,0,0,0|2,0,0]=4 1492 B8R0.4 CC=CCOCCCC 7a_100000210227_100000070051 [0,1,1,0,0,0|2,0,0]=4 1493 B8R0.4 CC=CCOCCCN 34a_100000182051_100000070051 [0,1,1,0,0,0|1,0,1]=4 1494 B8R0.4 CC=CCSCCCC 62a_100000070051_100000210210 [0,1,1,0,0,0|2,0,0]=4 1495 B8R0.4 CC=CCSCCCC 62a_100000210211_100000070051 [0,1,1,0,0,0|2,0,0]=4 1496 B8R0.4 CC=NNCCCCC 4a_100000694160_200000210099 [0,1,1,0,0,0|1,0,0]=3 1497 B8R0.4 CC=NNCCOCC 4a_100000732670_200000210099 [0,1,1,0,0,0|2,0,0]=4 1498 B8R0.4 CCCCCCCNC 2230a_100000229938_200000210301 [0,1,1,0,0,0|1,0,1]=4 1499 B8R0.4 CCCCCCCNC 2230a_106832991635_100000210681 [0,1,1,0,0,0|1,0,1]=4 1500 B8R0.4 CCCCCCCNC 34a_100102657272_100000210614 [0,1,1,0,0,0|1,0,1]=4 1501 B8R0.4 CCCCCCCNC 7a_106832991635_100000210614 [0,1,1,0,0,0|1,0,1]=4 1502 B8R0.4 CCCCCCCN[13CH3] 2230a_100000229938_200025704644 [0,1,1,0,0,0|1,0,1]=4 1503 B8R0.4 CCCCCCNCC 2230a_100000210581_100000210202 [0,1,1,0,0,0|1,0,1]=4 1504 B8R0.4 CCCCCCNCC 2230a_100015525214_100000210314 [0,1,1,0,0,0|1,0,1]=4 1505 B8R0.4 CCCCCNCC#N 2230a_100000209983_100011215382 [0,1,1,0,0,0|1,0,1]=4 1506 B8R0.4 CCCCCNCC=O 2230a_100000209983_200015260668 [0,1,1,0,0,0|0,0,0]=2 1507 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,1,1,0,0,0|1,0,1]=4 1508 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,1,1,0,0,0|1,0,1]=4 1509 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,1,1,0,0,0|1,0,1]=4 1510 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,1,1,0,0,0|0,0,2]=4 1511 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,1,1,0,0,0|0,0,2]=4 1512 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,1,1,0,0,0|0,0,2]=4 1513 B8R0.4 CCCCCNCOC 2230a_100000209983_100000766300 [0,1,1,0,0,0|0,0,2]=4 1514 B8R0.4 CCCCCNCSC 2230a_100000209983_100011218213 [0,1,1,0,0,0|0,1,1]=4 1515 B8R0.4 CCCCCOCC=O 34a_100000210253_200009817547 [0,1,1,0,0,0|1,0,0]=3 1516 B8R0.4 CCCCCOCC=O 7a_100000210253_200015260668 [0,1,1,0,0,0|1,0,0]=3 1517 B8R0.4 CCCCCOCCN 34a_100000210304_100000718602 [0,1,1,0,0,0|1,0,1]=4 1518 B8R0.4 CCCCCSCC=O 62a_100000210326_200015260668 [0,1,1,0,0,0|1,0,0]=3 1519 B8R0.4 CCCCCSCC=O 62a_200015260668_100000210326 [0,1,1,0,0,0|1,0,0]=3 1520 B8R0.4 CCCCOCCCN 34a_100000182051_100000210210 [0,1,1,0,0,0|1,0,1]=4 1521 B8R0.4 CCCCOCNCC 2230a_100015525214_100011995733 [0,1,1,0,0,0|1,0,1]=4 1522 B8R0.4 CCCOCCCCN 34a_100000750430_100000210303 [0,1,1,0,0,0|1,0,1]=4 1523 B8R0.4 CCCOCCNCC 2230a_100015525214_100011215938 [0,1,1,0,0,0|1,0,1]=4 1524 B8R0.4 CCCOCCNCC 2230a_100161115042_100000210202 [0,1,1,0,0,0|1,0,1]=4 1525 B8R0.4 CCCOCCNCC 34a_100161115042_100000210202 [0,1,1,0,0,0|1,0,1]=4 1526 B8R0.4 CCCOCCNCF 34a_100161115042_100015361967 [0,1,1,0,0,0|1,0,1]=4 1527 B8R0.4 CCCSCCCC=O 62a_100000210303_200011292268 [0,1,1,0,0,0|1,0,0]=3 1528 B8R0.4 CCCSCCCC=O 62a_200011292268_100000210303 [0,1,1,0,0,0|1,0,0]=3 1529 B8R0.4 CCCSCCNCC 2230a_100020603323_100000210202 [0,1,1,0,0,0|1,0,1]=4 1530 B8R0.4 CCNCCCCC=O 2230a_100015525214_100000139335 [0,1,1,0,0,0|1,0,0]=3 1531 B8R0.4 CCNCCCCCF 2230a_100015525214_100000729378 [0,1,1,0,0,0|1,0,1]=4 1532 B8R0.4 CCNCCCCCO 2230a_100000762737_100000210202 [0,1,1,0,0,0|1,0,1]=4 1533 B8R0.4 CCNCCCCCO 2230a_100015525214_100000746330 [0,1,1,0,0,0|1,0,1]=4 1534 B8R0.4 CCNCCCCCO 34a_100000762737_100000210202 [0,1,1,0,0,0|1,0,1]=4 1535 B8R0.4 CCNCCCCOC 2230a_100015525214_100000730899 [0,1,1,0,0,0|1,0,1]=4 1536 B8R0.4 CCNCCCOCC 2230a_100000210961_100000210202 [0,1,1,0,0,0|1,0,1]=4 1537 B8R0.4 CCNCCCOCC 2230a_100015525214_100012232248 [0,1,1,0,0,0|1,0,1]=4 1538 B8R0.4 CCNCCCOCC 34a_100000210961_100000210202 [0,1,1,0,0,0|1,0,1]=4 1539 B8R0.4 CCOCCCCCN 34a_100000762737_100000210202 [0,1,1,0,0,0|1,0,1]=4 1540 B8R0.4 CCOCCCNCF 34a_100000210961_100015361967 [0,1,1,0,0,0|1,0,1]=4 1541 B8R0.4 CCOCCNCC=O 2230a_102516460346_200015260668 [0,1,1,0,0,0|1,0,0]=3 1542 B8R0.4 CCOCCNCC=O 34a_102516460346_200009817547 [0,1,1,0,0,0|1,0,0]=3 1543 B8R0.4 CCOCCOCC=O 34a_100000210136_200009817547 [0,1,1,0,0,0|2,0,0]=4 1544 B8R0.4 CCOCCOCC=O 7a_100000210136_200015260668 [0,1,1,0,0,0|2,0,0]=4 1545 B8R0.4 CCOCCSCC=O 62a_100000210147_200015260668 [0,1,1,0,0,0|2,0,0]=4 1546 B8R0.4 CCOCCSCC=O 62a_200015260668_100011215890 [0,1,1,0,0,0|2,0,0]=4 1547 B8R0.4 CCSCCCCC=O 62a_100000139335_100000210202 [0,1,1,0,0,0|1,0,0]=3 1548 B8R0.4 CCSCCCCC=O 62a_100000210202_100000139335 [0,1,1,0,0,0|1,0,0]=3 1549 B8R0.4 CCSCCNCC=O 2230a_100000106463_200015260668 [0,1,1,0,0,0|1,0,0]=3 1550 B8R0.4 CCSCCOCC=O 34a_100000212035_200009817547 [0,1,1,0,0,0|2,0,0]=4 1551 B8R0.4 CCSCCOCC=O 7a_100000212035_200015260668 [0,1,1,0,0,0|2,0,0]=4 1552 B8R0.4 CCSCCSCC=O 62a_100000757381_200015260668 [0,1,1,0,0,0|2,0,0]=4 1553 B8R0.4 CCSCCSCC=O 62a_200015260668_100000757381 [0,1,1,0,0,0|2,0,0]=4 1554 B8R0.4 CNCCCCCC#N 2230a_106832991635_100009813376 [0,1,1,0,0,0|1,0,1]=4 1555 B8R0.4 CNCCCCCC#N 7a_106832991635_100009813376 [0,1,1,0,0,0|1,0,1]=4 1556 B8R0.4 CNCCCCCC=O 2230a_106832991635_100000139337 [0,1,1,0,0,0|0,0,0]=2 1557 B8R0.4 CNCCCCCC=O 7a_106832991635_100000139337 [0,1,1,0,0,0|0,0,0]=2 1558 B8R0.4 CNCCCCCCF 2230a_106832991635_100015922095 [0,1,1,0,0,0|1,0,1]=4 1559 B8R0.4 CNCCCCCCF 34a_100102657272_100015922095 [0,1,1,0,0,0|1,0,1]=4 1560 B8R0.4 CNCCCCCCF 7a_106832991635_100015922095 [0,1,1,0,0,0|1,0,1]=4 1561 B8R0.4 CNCCCCCCO 2230a_100000686447_200000210301 [0,1,1,0,0,0|0,0,2]=4 1562 B8R0.4 CNCCCCCCO 2230a_106832991635_100000766143 [0,1,1,0,0,0|0,0,2]=4 1563 B8R0.4 CNCCCCCCO 34a_100000686447_200000210301 [0,1,1,0,0,0|0,0,2]=4 1564 B8R0.4 CNCCCCCCO 34a_100102657272_100000766143 [0,1,1,0,0,0|0,0,2]=4 1565 B8R0.4 CNCCCCCCO 7a_106832991635_100000766143 [0,1,1,0,0,0|0,0,2]=4 1566 B8R0.4 CNCCCCCOC 2230a_100000747528_200000210301 [0,1,1,0,0,0|2,0,0]=4 1567 B8R0.4 CNCCCCCOC 34a_100000722520_200000210301 [0,1,1,0,0,0|2,0,0]=4 1568 B8R0.4 CNCCCCCOC 34a_100000747528_200000210301 [0,1,1,0,0,0|2,0,0]=4 1569 B8R0.4 CNCCCCCO[13CH3] 34a_100000722520_200025704644 [0,1,1,0,0,0|2,0,0]=4 1570 B8R0.4 CNCCCOCC=O 34a_100000213112_200009817547 [0,1,1,0,0,0|1,0,0]=3 1571 B8R0.4 COCCCCCCN 34a_100000686447_200000210301 [0,1,1,0,0,0|0,0,2]=4 1572 B8R0.4 COCCCCCN[13CH3] 2230a_100000747528_200025704644 [0,1,1,0,0,0|2,0,0]=4 1573 B8R0.4 COCCCCCN[13CH3] 34a_100000747528_200025704644 [0,1,1,0,0,0|2,0,0]=4 1574 B8R0.4 COCCCNCC=O 34a_100150723488_200009817547 [0,1,1,0,0,0|1,0,0]=3 1575 B8R0.4 COCCCOCC=O 34a_100000740835_200009817547 [0,1,1,0,0,0|2,0,0]=4 1576 B8R0.4 COCCCOCCN 34a_100000210304_100000740836 [0,1,1,0,0,0|2,0,0]=4 1577 B8R0.4 COCCCSCC=O 62a_100000709357_200015260668 [0,1,1,0,0,0|2,0,0]=4 1578 B8R0.4 COCCCSCC=O 62a_200015260668_100000709357 [0,1,1,0,0,0|2,0,0]=4 1579 B8R0.4 COCCOCCCN 34a_100000182051_100011201679 [0,1,1,0,0,0|2,0,0]=4 1580 B8R0.4 COCSCCCC=O 62a_100000766300_200011292268 [0,1,1,0,0,0|2,0,0]=4 1581 B8R0.4 COCSCCCC=O 62a_200011292268_100000766300 [0,1,1,0,0,0|2,0,0]=4 1582 B8R0.4 CSCCCCCC=O 62a_100000139337_200000210301 [0,1,1,0,0,0|1,0,0]=3 1583 B8R0.4 CSCCCCCC=O 62a_200000210301_100000139337 [0,1,1,0,0,0|1,0,0]=3 1584 B8R0.4 CSCCCNCC=O 2230a_100000749238_200015260668 [0,1,1,0,0,0|1,0,0]=3 1585 B8R0.4 CSCCCOCC=O 34a_100000690336_200009817547 [0,1,1,0,0,0|2,0,0]=4 1586 B8R0.4 CSCCCOCC=O 7a_100000690336_200015260668 [0,1,1,0,0,0|2,0,0]=4 1587 B8R0.4 CSCCOCCCN 34a_100000182051_100000212216 [0,1,1,0,0,0|2,0,0]=4 1588 B8R0.4 CSCOCCCCN 34a_100000750430_100011218213 [0,1,1,0,0,0|2,0,0]=4 1589 B8R0.4 CSCSCCCC=O 62a_100011218213_200011292268 [0,1,1,0,0,0|2,0,0]=4 1590 B8R0.4 CSCSCCCC=O 62a_200011292268_100011218213 [0,1,1,0,0,0|2,0,0]=4 1591 B8R0.4 N#CCCCSCC=O 62a_100000687738_200015260668 [0,1,1,0,0,0|0,0,2]=4 1592 B8R0.4 N#CCCCSCC=O 62a_200015260668_100000687738 [0,1,1,0,0,0|0,0,2]=4 1593 B8R0.4 N#CCSCCCC=O 62a_100011215382_200011292268 [0,1,1,0,0,0|0,0,2]=4 1594 B8R0.4 N#CCSCCCC=O 62a_200011292268_100011215382 [0,1,1,0,0,0|0,0,2]=4 1595 B8R0.4 NCCCCCOCF 34a_100000762737_100015361967 [0,1,1,0,0,0|1,0,1]=4 1596 B8R0.4 NCCCCOCC=O 34a_100000750430_200009817547 [0,1,1,0,0,0|0,0,0]=2 1597 B8R0.4 NCCCCOCCF 34a_100000750430_100011217306 [0,1,1,0,0,0|1,0,1]=4 1598 B8R0.4 NCCCCOCCO 34a_100000750430_100000211926 [0,1,1,0,0,0|0,0,2]=4 1599 B8R0.4 NCCCOCCCF 34a_100000182051_100011934791 [0,1,1,0,0,0|1,0,1]=4 1600 B8R0.4 NCCCOCCCO 34a_100000182051_100000230001 [0,1,1,0,0,0|0,0,2]=4 1601 B8R0.4 NCCOCCCCF 34a_100000210304_100000729493 [0,1,1,0,0,0|1,0,1]=4 1602 B8R0.4 NCCOCCCCO 34a_100000210304_100011216708 [0,1,1,0,0,0|0,0,2]=4 1603 B8R0.4 O=CCCCCSCF 62a_100000139335_100015361967 [0,1,1,0,0,0|1,0,0]=3 1604 B8R0.4 O=CCCCCSCF 62a_100015361967_100000139335 [0,1,1,0,0,0|1,0,0]=3 1605 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,1,1,0,0,0|1,0,0]=3 1606 B8R0.4 O=CCCCSCC=O 62a_200011292268_200015260668 [0,1,1,0,0,0|1,0,1]=4 1607 B8R0.4 O=CCCCSCC=O 62a_200015260668_200011292268 [0,1,1,0,0,0|1,0,1]=4 1608 B8R0.4 O=CCCCSCCF 62a_100011217306_200011292268 [0,1,1,0,0,0|1,0,0]=3 1609 B8R0.4 O=CCCCSCCF 62a_200011292268_100011217306 [0,1,1,0,0,0|1,0,0]=3 1610 B8R0.4 O=CCCCSCCO 62a_100000211926_200011292268 [0,1,1,0,0,0|1,0,0]=3 1611 B8R0.4 O=CCCCSCCO 62a_200011292268_100000211926 [0,1,1,0,0,0|1,0,0]=3 1612 B8R0.4 O=CCNCCCCO 2230a_100000750430_200015260668 [0,1,1,0,0,0|1,0,0]=3 1613 B8R0.4 O=CCNCCCCO 34a_100000750430_200009817547 [0,1,1,0,0,0|1,0,0]=3 1614 B8R0.4 O=CCOCCCCBr 34a_100011216708_200009817547 [0,1,1,0,0,0|1,0,0]=3 1615 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,1,1,0,0,0|1,0,0]=3 1616 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,1,1,0,0,0|1,0,0]=3 1617 B8R0.4 O=CCOCCCCF 34a_100011995726_200009817547 [0,1,1,0,0,0|1,0,0]=3 1618 B8R0.4 O=CCOCCCCF 7a_100011995726_200015260668 [0,1,1,0,0,0|1,0,0]=3 1619 B8R0.4 O=CCOCCCCI 34a_200012148704_200009817547 [0,1,1,0,0,0|1,0,0]=3 1620 B8R0.4 O=CCSCCCCF 62a_100000729493_200015260668 [0,1,1,0,0,0|1,0,0]=3 1621 B8R0.4 O=CCSCCCCF 62a_200015260668_100000729493 [0,1,1,0,0,0|1,0,0]=3 1622 B8R0.4 O=CCSCCCCO 62a_100000210776_200015260668 [0,1,1,0,0,0|1,0,0]=3 1623 B8R0.4 O=CCSCCCCO 62a_200015260668_100000210776 [0,1,1,0,0,0|1,0,0]=3 1624 B8R0.4 OCCCCCNCF 34a_100000762737_100015361967 [0,1,1,0,0,0|1,0,1]=4 1625 B8R0.4 [13CH3]NCCCCCCO 2230a_100000686447_200025704644 [0,1,1,0,0,0|0,0,2]=4 1626 B8R0.4 [13CH3]NCCCCCCO 34a_100000686447_200025704644 [0,1,1,0,0,0|0,0,2]=4 1627 B8R0.4 [13CH3]OCCCCCCN 34a_100000686447_200025704644 [0,1,1,0,0,0|0,0,2]=4 1628 B8R0.4 [13CH3]SCCCCCC=O 62a_100000139337_200025704644 [0,1,1,0,0,0|1,0,0]=3 1629 B8R0.4 [13CH3]SCCCCCC=O 62a_200025704644_100000139337 [0,1,1,0,0,0|1,0,0]=3 1630 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [0,1,1,0,0,0|2,0,0]=4 1631 B8R0.6 C=CC(O)COCCN 34a_100000210304_100000730141 [0,1,1,0,0,0|2,0,0]=4 1632 B8R0.6 C=CCCOC(C)CN 34a_100000210904_100000754431 [0,1,1,0,0,0|2,0,0]=4 1633 B8R0.6 C=CCOCC(C)CN 34a_100000744482_100015514636 [0,1,1,0,0,0|2,0,0]=4 1634 B8R0.6 C=CCOC[C@H](F)CN 34a_100015665980_100015514636 [0,1,1,0,0,0|2,0,0]=4 1635 B8R0.6 CC(CN)COCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|1,0,0]=3 1636 B8R0.6 CC(CO)CNCC=O 34a_100000744482_200009817547 [0,1,1,0,0,0|2,0,0]=4 1637 B8R0.6 CCC(C)CNCC=O 2230a_100020588543_200015260668 [0,1,1,0,0,0|2,0,0]=4 1638 B8R0.6 CCC(C)CSCC=O 62a_100000748023_200015260668 [0,1,1,0,0,0|2,0,0]=4 1639 B8R0.6 CCC(C)CSCC=O 62a_200015260668_100000748023 [0,1,1,0,0,0|2,0,0]=4 1640 B8R0.6 CCC(O)CNCC=O 2230a_100011218483_200015260668 [0,1,1,0,0,0|2,0,0]=4 1641 B8R0.6 CCC(O)CSCC=O 62a_100011218378_200015260668 [0,1,1,0,0,0|2,0,0]=4 1642 B8R0.6 CCC(O)CSCC=O 62a_200015260668_100011218378 [0,1,1,0,0,0|2,0,0]=4 1643 B8R0.6 CCCCCN(C)CC 2230a_100000223495_100000210202 [0,1,1,0,0,0|1,0,1]=4 1644 B8R0.6 CCCCCN(C)CC 2230a_100000225621_100000210326 [0,1,1,0,0,0|1,0,1]=4 1645 B8R0.6 CCCCCN(C)CC 269982a_100000223495_100000204670 [0,1,1,0,0,0|1,0,1]=4 1646 B8R0.6 CCCCCN(C)CC 269982a_100000225621_100000210215 [0,1,1,0,0,0|1,0,1]=4 1647 B8R0.6 CCCCCN(C)CF 269982a_100000223495_100015361967 [0,1,1,0,0,0|1,0,1]=4 1648 B8R0.6 CCN(C)CCCC=O 2230a_100000225621_200011292268 [0,1,1,0,0,0|2,0,0]=4 1649 B8R0.6 CCN(C)CCCC=O 269982a_100000225621_200011292268 [0,1,1,0,0,0|2,0,0]=4 1650 B8R0.6 CCNCCC(C)CC 2230a_100020591266_100000210202 [0,1,1,0,0,0|1,0,1]=4 1651 B8R0.6 CC[C@H](C)COCC=O 7a_100009816381_200015260668 [0,1,1,0,0,0|2,0,0]=4 1652 B8R0.6 CC[C@H](C)CSCC=O 62a_100009816398_200015260668 [0,1,1,0,0,0|2,0,0]=4 1653 B8R0.6 CC[C@H](C)CSCC=O 62a_200015260668_100009816398 [0,1,1,0,0,0|2,0,0]=4 1654 B8R0.6 COCCC[C@@H](C)CN 34a_100160569302_200000210301 [0,1,1,0,0,0|2,0,0]=4 1655 B8R0.6 C[C@@H](CN)CCCO[13CH3] 34a_100160569302_200025704644 [0,1,1,0,0,0|2,0,0]=4 1656 B8R0.6 C[C@@H](CO)CSCC=O 62a_100000059175_200015260668 [0,1,1,0,0,0|2,0,0]=4 1657 B8R0.6 C[C@@H](CO)CSCC=O 62a_200015260668_100000059175 [0,1,1,0,0,0|2,0,0]=4 1658 B8R0.6 NC[C@@H](F)COCC=O 34a_100015665980_200009817547 [0,1,1,0,0,0|1,0,0]=3 1659 B8R0.6 O=CCNC[C@@H](F)CO 34a_100015665980_200009817547 [0,1,1,0,0,0|2,0,0]=4 1660 B8R0.6 O=CCNC[C@H](O)CO 2230a_100020644852_200015260668 [0,1,1,0,0,0|2,0,0]=4 1661 B8R0.6 O=CCOCC(Cl)CCl 34a_100000033668_200009817547 [0,1,1,0,0,0|2,0,0]=4 1662 B8R0.6 O=CCSCC(O)CO 62a_100011219619_200015260668 [0,1,1,0,0,0|2,0,0]=4 1663 B8R0.6 O=CCSCC(O)CO 62a_200015260668_100011219619 [0,1,1,0,0,0|2,0,0]=4 1664 B8R0.6 O=CCSC[C@@H](O)CF 62a_100015614560_200015260668 [0,1,1,0,0,0|2,0,0]=4 1665 B8R0.6 O=CCSC[C@@H](O)CF 62a_200015260668_100015614560 [0,1,1,0,0,0|2,0,0]=4 1666 B8R0.6 O=CCSC[C@@H](O)CO 62a_100009815848_200015260668 [0,1,1,0,0,0|2,0,0]=4 1667 B8R0.6 O=CCSC[C@@H](O)CO 62a_200015260668_100009815848 [0,1,1,0,0,0|2,0,0]=4 1668 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [0,1,1,0,0,0|1,0,1]=4 1669 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [0,1,1,0,0,0|1,0,1]=4 1670 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [0,1,1,0,0,0|1,0,1]=4 1671 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 1672 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 1673 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [0,1,1,0,0,0|0,0,2]=4 1674 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [0,1,1,0,0,0|0,0,2]=4 1675 B8R0.7 C=C(C)CCOCCN 34a_100000210304_100000730704 [0,1,1,0,0,0|2,0,0]=4 1676 B8R0.7 C=C(C)COCCCN 34a_100000182051_100000748629 [0,1,1,0,0,0|2,0,0]=4 1677 B8R0.7 C=C(F)COCCCN 34a_100000182051_100009893438 [0,1,1,0,0,0|2,0,0]=4 1678 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [0,1,1,0,0,0|1,0,1]=4 1679 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [0,1,1,0,0,0|1,0,1]=4 1680 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [0,1,1,0,0,0|1,0,1]=4 1681 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 1682 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 1683 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [0,1,1,0,0,0|0,0,2]=4 1684 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [0,1,1,0,0,0|0,0,2]=4 1685 B8R0.7 C=CCCOC[C@@H](C)N 34a_100000737577_100000754431 [0,1,1,0,0,0|2,0,0]=4 1686 B8R0.7 C=CCOCC[C@@H](C)N 34a_100000706166_100015514636 [0,1,1,0,0,0|2,0,0]=4 1687 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [0,1,1,0,0,0|0,0,2]=4 1688 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [0,1,1,0,0,0|1,0,0]=3 1689 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [0,1,1,0,0,0|1,0,0]=3 1690 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [0,1,1,0,0,0|1,0,0]=3 1691 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [0,1,1,0,0,0|2,0,0]=4 1692 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [0,1,1,0,0,0|2,0,0]=4 1693 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 1694 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [0,1,1,0,0,0|2,0,0]=4 1695 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [0,1,1,0,0,0|2,0,0]=4 1696 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [0,1,1,0,0,0|2,0,0]=4 1697 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 1698 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [0,1,1,0,0,0|2,0,0]=4 1699 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [0,1,1,0,0,0|2,0,0]=4 1700 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [0,1,1,0,0,0|2,0,0]=4 1701 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 1702 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [0,1,1,0,0,0|2,0,0]=4 1703 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [0,1,1,0,0,0|2,0,0]=4 1704 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [0,1,1,0,0,0|2,0,0]=4 1705 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [0,1,1,0,0,0|2,0,0]=4 1706 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [0,1,1,0,0,0|2,0,0]=4 1707 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [0,1,1,0,0,0|2,0,0]=4 1708 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [0,1,1,0,0,0|2,0,0]=4 1709 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [0,1,1,0,0,0|1,0,0]=3 1710 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [0,1,1,0,0,0|1,0,0]=3 1711 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [0,1,1,0,0,0|1,0,0]=3 1712 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [0,1,1,0,0,0|1,0,0]=3 1713 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [0,1,1,0,0,0|2,0,0]=4 1714 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [0,1,1,0,0,0|2,0,0]=4 1715 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [0,1,1,0,0,0|2,0,0]=4 1716 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [0,1,1,0,0,0|2,0,0]=4 1717 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [0,1,1,0,0,0|2,0,0]=4 1718 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [0,1,1,0,0,0|2,0,0]=4 1719 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [0,1,1,0,0,0|2,0,0]=4 1720 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [0,1,1,0,0,0|2,0,0]=4 1721 B8R0.7 CC(Br)CCOCC=O 34a_100009893172_200009817547 [0,1,1,0,0,0|2,0,0]=4 1722 B8R0.7 CC(C)CCCNCF 34a_200000737386_100015361967 [0,1,1,0,0,0|1,0,1]=4 1723 B8R0.7 CC(C)CCOCC=O 34a_100000210254_200009817547 [0,1,1,0,0,0|2,0,0]=4 1724 B8R0.7 CC(C)CCOCC=O 7a_100000210254_200015260668 [0,1,1,0,0,0|2,0,0]=4 1725 B8R0.7 CC(C)CCSCC=O 62a_100000210312_200015260668 [0,1,1,0,0,0|2,0,0]=4 1726 B8R0.7 CC(C)CCSCC=O 62a_200015260668_100000210312 [0,1,1,0,0,0|2,0,0]=4 1727 B8R0.7 CC(C)NCCCC=O 2230a_100138425928_200011292268 [0,1,1,0,0,0|2,0,0]=4 1728 B8R0.7 CC(C)SCCCC=O 62a_100000210206_200011292268 [0,1,1,0,0,0|2,0,0]=4 1729 B8R0.7 CC(C)SCCCC=O 62a_200011292268_100000210206 [0,1,1,0,0,0|2,0,0]=4 1730 B8R0.7 CC(O)CCNCC=O 2230a_200000755665_200015260668 [0,1,1,0,0,0|2,0,0]=4 1731 B8R0.7 CC(O)CCSCC=O 62a_100012276601_200015260668 [0,1,1,0,0,0|2,0,0]=4 1732 B8R0.7 CC(O)CCSCC=O 62a_200015260668_100012276601 [0,1,1,0,0,0|2,0,0]=4 1733 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [0,1,1,0,0,0|1,0,1]=4 1734 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [0,1,1,0,0,0|1,0,1]=4 1735 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [0,1,1,0,0,0|1,0,1]=4 1736 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [0,1,1,0,0,0|1,0,0]=3 1737 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [0,1,1,0,0,0|1,0,0]=3 1738 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [0,1,1,0,0,0|1,0,0]=3 1739 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 1740 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 1741 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [0,1,1,0,0,0|0,0,0]=2 1742 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [0,1,1,0,0,0|0,0,0]=2 1743 B8R0.7 CCCCCNC(C)C 2230a_100000209983_100000210206 [0,1,1,0,0,0|1,0,1]=4 1744 B8R0.7 CCCCCNC(C)C 2230a_100138425928_100000210326 [0,1,1,0,0,0|1,0,1]=4 1745 B8R0.7 CCCCCNC(C)C 34a_100138425928_100000718602 [0,1,1,0,0,0|1,0,1]=4 1746 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [0,1,1,0,0,0|2,0,0]=4 1747 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [0,1,1,0,0,0|2,0,0]=4 1748 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [0,1,1,0,0,0|2,0,0]=4 1749 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [0,1,1,0,0,0|2,0,0]=4 1750 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [0,1,1,0,0,0|1,0,0]=3 1751 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [0,1,1,0,0,0|2,0,0]=4 1752 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [0,1,1,0,0,0|2,0,0]=4 1753 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [0,1,1,0,0,0|2,0,0]=4 1754 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [0,1,1,0,0,0|2,0,0]=4 1755 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [0,1,1,0,0,0|2,0,0]=4 1756 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [0,1,1,0,0,0|2,0,0]=4 1757 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [0,1,1,0,0,0|2,0,0]=4 1758 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [0,1,1,0,0,0|2,0,0]=4 1759 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [0,1,1,0,0,0|2,0,0]=4 1760 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [0,1,1,0,0,0|2,0,0]=4 1761 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [0,1,1,0,0,0|2,0,0]=4 1762 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [0,1,1,0,0,0|2,0,0]=4 1763 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [0,1,1,0,0,0|2,0,0]=4 1764 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [0,1,1,0,0,0|2,0,0]=4 1765 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [0,1,1,0,0,0|2,0,0]=4 1766 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [0,1,1,0,0,0|2,0,0]=4 1767 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [0,1,1,0,0,0|2,0,0]=4 1768 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1769 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [0,1,1,0,0,0|2,0,0]=4 1770 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [0,1,1,0,0,0|2,0,0]=4 1771 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [0,1,1,0,0,0|2,0,0]=4 1772 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [0,1,1,0,0,0|2,0,0]=4 1773 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [0,1,1,0,0,0|2,0,0]=4 1774 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [0,1,1,0,0,0|2,0,0]=4 1775 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [0,1,1,0,0,0|2,0,0]=4 1776 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [0,1,1,0,0,0|2,0,0]=4 1777 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [0,1,1,0,0,0|2,0,0]=4 1778 B8R0.7 CCNCCCC(C)C 2230a_100015525214_100011214892 [0,1,1,0,0,0|1,0,1]=4 1779 B8R0.7 CCNCCCC(C)C 2230a_200000737386_100000210202 [0,1,1,0,0,0|1,0,1]=4 1780 B8R0.7 CCNCCCC(C)C 34a_200000737386_100000210202 [0,1,1,0,0,0|1,0,1]=4 1781 B8R0.7 CCNCCCC(C)O 2230a_100015525214_200000718107 [0,1,1,0,0,0|1,0,1]=4 1782 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [0,1,1,0,0,0|1,0,0]=3 1783 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [0,1,1,0,0,0|1,0,0]=3 1784 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [0,1,1,0,0,0|1,0,0]=3 1785 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [0,1,1,0,0,0|1,0,0]=3 1786 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [0,1,1,0,0,0|2,0,0]=4 1787 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1788 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [0,1,1,0,0,0|2,0,0]=4 1789 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [0,1,1,0,0,0|2,0,0]=4 1790 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [0,1,1,0,0,0|2,0,0]=4 1791 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [0,1,1,0,0,0|1,0,0]=3 1792 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [0,1,1,0,0,0|1,0,0]=3 1793 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [0,1,1,0,0,0|1,0,0]=3 1794 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [0,1,1,0,0,0|1,0,0]=3 1795 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [0,1,1,0,0,0|1,0,0]=3 1796 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [0,1,1,0,0,0|1,0,0]=3 1797 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [0,1,1,0,0,0|2,0,0]=4 1798 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [0,1,1,0,0,0|2,0,0]=4 1799 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [0,1,1,0,0,0|2,0,0]=4 1800 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [0,1,1,0,0,0|2,0,0]=4 1801 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [0,1,1,0,0,0|2,0,0]=4 1802 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [0,1,1,0,0,0|2,0,0]=4 1803 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [0,1,1,0,0,0|2,0,0]=4 1804 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 1805 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 1806 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [0,1,1,0,0,0|1,0,0]=3 1807 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [0,1,1,0,0,0|1,0,0]=3 1808 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [0,1,1,0,0,0|1,0,0]=3 1809 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [0,1,1,0,0,0|1,0,0]=3 1810 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [0,1,1,0,0,0|1,0,0]=3 1811 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [0,1,1,0,0,0|1,0,0]=3 1812 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [0,1,1,0,0,0|2,0,0]=4 1813 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [0,1,1,0,0,0|2,0,0]=4 1814 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [0,1,1,0,0,0|2,0,0]=4 1815 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [0,1,1,0,0,0|2,0,0]=4 1816 B8R0.7 CN(C)CCCCC=O 2230a_100102631434_100000139335 [0,1,1,0,0,0|2,0,0]=4 1817 B8R0.7 CN(C)CCCCC=O 269982a_100102631434_100000139335 [0,1,1,0,0,0|2,0,0]=4 1818 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [0,1,1,0,0,0|2,0,0]=4 1819 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [0,1,1,0,0,0|2,0,0]=4 1820 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [0,1,1,0,0,0|2,0,0]=4 1821 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [0,1,1,0,0,0|1,0,0]=3 1822 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [0,1,1,0,0,0|2,0,0]=4 1823 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [0,1,1,0,0,0|2,0,0]=4 1824 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 1825 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [0,1,1,0,0,0|2,0,0]=4 1826 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [0,1,1,0,0,0|2,0,0]=4 1827 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [0,1,1,0,0,0|2,0,0]=4 1828 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [0,1,1,0,0,0|2,0,0]=4 1829 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1830 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [0,1,1,0,0,0|2,0,0]=4 1831 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [0,1,1,0,0,0|1,0,0]=3 1832 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [0,1,1,0,0,0|1,0,0]=3 1833 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [0,1,1,0,0,0|1,0,0]=3 1834 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [0,1,1,0,0,0|1,0,0]=3 1835 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [0,1,1,0,0,0|2,0,0]=4 1836 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [0,1,1,0,0,0|2,0,0]=4 1837 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [0,1,1,0,0,0|2,0,0]=4 1838 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [0,1,1,0,0,0|2,0,0]=4 1839 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [0,1,1,0,0,0|2,0,0]=4 1840 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 1841 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 1842 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [0,1,1,0,0,0|1,0,0]=3 1843 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [0,1,1,0,0,0|1,0,0]=3 1844 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [0,1,1,0,0,0|2,0,0]=4 1845 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [0,1,1,0,0,0|2,0,0]=4 1846 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [0,1,1,0,0,0|2,0,0]=4 1847 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [0,1,1,0,0,0|2,0,0]=4 1848 B8R0.7 C[C@@H](N)CCOCC=O 34a_100000706166_200009817547 [0,1,1,0,0,0|1,0,0]=3 1849 B8R0.7 NC(=O)CCCNCF 34a_100000739312_100015361967 [0,1,1,0,0,0|2,0,0]=4 1850 B8R0.7 NC(=O)CCCSCF 62a_100015361967_100102525003 [0,1,1,0,0,0|2,0,0]=4 1851 B8R0.7 NC(=O)CCCSCF 62a_100102525003_100015361967 [0,1,1,0,0,0|2,0,0]=4 1852 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,1,1,0,0,0|2,0,0]=4 1853 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,1,1,0,0,0|2,0,0]=4 1854 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,1,1,0,0,0|2,0,0]=4 1855 B8R0.7 NC(=O)CCOCC=O 34a_100000757172_200009817547 [0,1,1,0,0,0|1,0,1]=4 1856 B8R0.7 NC(=O)CCOCC=O 7a_100000757172_200015260668 [0,1,1,0,0,0|1,0,1]=4 1857 B8R0.7 NC(=O)CCOCCBr 34a_100000211926_100000731001 [0,1,1,0,0,0|2,0,0]=4 1858 B8R0.7 NC(=O)CCOCCF 34a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1859 B8R0.7 NC(=O)CCOCCF 7a_100000757172_100011217306 [0,1,1,0,0,0|2,0,0]=4 1860 B8R0.7 NC(=O)CCOCCO 34a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1861 B8R0.7 NC(=O)CCOCCO 7a_100000757172_100000211926 [0,1,1,0,0,0|2,0,0]=4 1862 B8R0.7 NC(=O)CCSCC=O 62a_100000744528_200015260668 [0,1,1,0,0,0|1,0,1]=4 1863 B8R0.7 NC(=O)CCSCC=O 62a_200015260668_100000744528 [0,1,1,0,0,0|1,0,1]=4 1864 B8R0.7 NC(=O)CCSCCF 62a_100000744528_100011217306 [0,1,1,0,0,0|2,0,0]=4 1865 B8R0.7 NC(=O)CCSCCF 62a_100011217306_100000744528 [0,1,1,0,0,0|2,0,0]=4 1866 B8R0.7 NC(=O)CCSCCO 62a_100000211926_100000744528 [0,1,1,0,0,0|2,0,0]=4 1867 B8R0.7 NC(=O)CCSCCO 62a_100000744528_100000211926 [0,1,1,0,0,0|2,0,0]=4 1868 B8R0.7 NC(=O)CNCCCF 2230a_100000711301_100011934791 [0,1,1,0,0,0|2,0,0]=4 1869 B8R0.7 NC(=O)CNCCCF 2230a_100015189416_100000747473 [0,1,1,0,0,0|2,0,0]=4 1870 B8R0.7 NC(=O)CNCCCF 34a_100015189416_100000187820 [0,1,1,0,0,0|2,0,0]=4 1871 B8R0.7 NC(=O)CNCCCO 2230a_100000711301_100000230001 [0,1,1,0,0,0|2,0,0]=4 1872 B8R0.7 NC(=O)COCCCBr 34a_100011217188_100000187820 [0,1,1,0,0,0|2,0,0]=4 1873 B8R0.7 NC(=O)COCCCCl 34a_100000230001_100000187820 [0,1,1,0,0,0|2,0,0]=4 1874 B8R0.7 NC(=O)COCCCF 34a_100000759539_100000187820 [0,1,1,0,0,0|2,0,0]=4 1875 B8R0.7 NC(=O)CSCCCF 62a_100000747473_100011934791 [0,1,1,0,0,0|2,0,0]=4 1876 B8R0.7 NC(=O)CSCCCF 62a_100011934791_100000747473 [0,1,1,0,0,0|2,0,0]=4 1877 B8R0.7 NC(=O)CSCCCO 62a_100000747473_100011215043 [0,1,1,0,0,0|2,0,0]=4 1878 B8R0.7 NC(=O)CSCCCO 62a_100011215043_100000747473 [0,1,1,0,0,0|2,0,0]=4 1879 B8R0.7 NC(=O)NCCNCF 34a_100020590234_100015361967 [0,1,1,0,0,0|2,0,0]=4 1880 B8R0.7 NC(=O)NCCOCF 34a_100000181757_100015361967 [0,1,1,0,0,0|2,0,0]=4 1881 B8R0.7 NC(=O)NCCSCF 62a_100015361967_200000034859 [0,1,1,0,0,0|2,0,0]=4 1882 B8R0.7 NC(=O)NCCSCF 62a_200000034859_100015361967 [0,1,1,0,0,0|2,0,0]=4 1883 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [0,1,1,0,0,0|1,0,0]=3 1884 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [0,1,1,0,0,0|1,0,0]=3 1885 B8R0.7 NCCCOC[N+](=O)[O-] 34a_100000182051_100000761209 [0,1,1,0,0,0|2,0,0]=4 1886 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [0,1,1,0,0,0|1,0,0]=3 1887 B8R0.7 NOCCOCC(=O)N 34a_100000700252_100000187820 [0,1,1,0,0,0|2,0,0]=4 1888 B8R0.7 NOCCOCC(=O)[O-] 34a_100000700252_100020667443 [0,1,1,0,0,0|2,0,0]=4 1889 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [0,1,1,0,0,0|2,0,0]=4 1890 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [0,1,1,0,0,0|2,0,0]=4 1891 B8R0.7 O=C([O-])CNCCCF 34a_100015189416_100020667443 [0,1,1,0,0,0|2,0,0]=4 1892 B8R0.7 O=C([O-])COCCCBr 34a_100011217188_100020667443 [0,1,1,0,0,0|2,0,0]=4 1893 B8R0.7 O=C([O-])COCCCCl 34a_100000230001_100020667443 [0,1,1,0,0,0|2,0,0]=4 1894 B8R0.7 O=C([O-])COCCCF 34a_100000759539_100020667443 [0,1,1,0,0,0|2,0,0]=4 1895 B8R0.7 O=C([O-])CSCCCF 62a_100011934791_100020667443 [0,1,1,0,0,0|2,0,0]=4 1896 B8R0.7 O=C([O-])CSCCCF 62a_100020667443_100011934791 [0,1,1,0,0,0|2,0,0]=4 1897 B8R0.7 O=C([O-])CSCCCO 62a_100011215043_100020667443 [0,1,1,0,0,0|2,0,0]=4 1898 B8R0.7 O=C([O-])CSCCCO 62a_100020667443_100011215043 [0,1,1,0,0,0|2,0,0]=4 1899 B8R0.7 O=CCOCCC(F)F 34a_100103093639_200009817547 [0,1,1,0,0,0|2,0,0]=4 1900 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [0,1,1,0,0,0|1,0,0]=3 1901 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [0,1,1,0,0,0|2,0,0]=4 1902 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [0,1,1,0,0,0|2,0,0]=4 1903 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1904 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [0,1,1,0,0,0|2,0,0]=4 1905 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,1,1,0,0,0|1,0,1]=4 1906 B8R0.3 C#CCN(C)C(=O)CC 11a_100000225692_100000210414 [0,1,1,0,0,0|0,0,2]=4 1907 B8R0.3 C#CCN(C)C(=O)CC 1626a_100000225692_100000210414 [0,1,1,0,0,0|0,0,2]=4 1908 B8R0.3 C#CCN(C)C(=O)CC 527a_100000225692_100000210414 [0,1,1,0,0,0|0,0,2]=4 1909 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,1,1,0,0,0|1,0,1]=4 1910 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,1,1,0,0,0|0,0,2]=4 1911 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,1,1,0,0,0|0,0,2]=4 1912 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,1,1,0,0,0|0,0,2]=4 1913 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,1,1,0,0,0|0,0,2]=4 1914 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,1,1,0,0,0|0,0,2]=4 1915 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,1,1,0,0,0|0,0,2]=4 1916 B8R0.3 C=CCN(C)C(=O)CC 11a_100000225617_100000210414 [0,1,1,0,0,0|0,0,2]=4 1917 B8R0.3 C=CCN(C)C(=O)CC 1626a_100000225617_100000210414 [0,1,1,0,0,0|0,0,2]=4 1918 B8R0.3 C=CCN(C)C(=O)CC 240690a_100000225617_100000210414 [0,1,1,0,0,0|0,0,2]=4 1919 B8R0.3 C=CCN(C)C(=O)CC 527a_100000225617_100000210414 [0,1,1,0,0,0|0,0,2]=4 1920 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,1,1,0,0,0|1,0,1]=4 1921 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,1,1,0,0,0|0,0,2]=4 1922 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,1,1,0,0,0|0,0,2]=4 1923 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,1,1,0,0,0|0,0,2]=4 1924 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,1,1,0,0,0|0,0,2]=4 1925 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,1,0,0,0|2,0,0]=4 1926 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,1,0,0,0|2,0,0]=4 1927 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,1,0,0,0|2,0,0]=4 1928 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,1,0,0,0|2,0,0]=4 1929 B8R0.3 CCC(=O)N(C)CC#N 11a_100000748184_100000210414 [0,1,1,0,0,0|1,0,1]=4 1930 B8R0.3 CCC(=O)N(C)CC#N 1626a_100000748184_100000210414 [0,1,1,0,0,0|1,0,1]=4 1931 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,1,0,0,0|1,0,0]=3 1932 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,1,0,0,0|1,0,0]=3 1933 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [0,1,1,0,0,0|0,0,1]=3 1934 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,1,0,0,0|1,0,0]=3 1935 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,1,0,0,0|1,0,0]=3 1936 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,1,1,0,0,0|2,0,0]=4 1937 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,1,0,0,0|2,0,0]=4 1938 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,1,1,0,0,0|0,0,0]=2 1939 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,1,1,0,0,0|0,0,0]=2 1940 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,1,1,0,0,0|0,0,0]=2 1941 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,1,1,0,0,0|0,0,0]=2 1942 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,1,0,0,0|1,0,1]=4 1943 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,1,1,0,0,0|0,0,0]=2 1944 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,1,1,0,0,0|0,0,0]=2 1945 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,1,1,0,0,0|0,0,0]=2 1946 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,1,1,0,0,0|0,0,0]=2 1947 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,1,1,0,0,0|1,0,0]=3 1948 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,1,1,0,0,0|1,0,0]=3 1949 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,1,1,0,0,0|1,0,0]=3 1950 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,1,1,0,0,0|1,0,0]=3 1951 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,1,0,0,0|1,0,1]=4 1952 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,1,0,0,0|1,0,1]=4 1953 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,1,0,0,0|1,0,1]=4 1954 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,1,0,0,0|1,0,1]=4 1955 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,1,0,0,0|1,0,1]=4 1956 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,1,0,0,0|1,0,1]=4 1957 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,1,0,0,0|1,0,1]=4 1958 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,1,0,0,0|1,0,1]=4 1959 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,1,1,0,0,0|1,0,0]=3 1960 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,1,1,0,0,0|2,0,0]=4 1961 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,1,1,0,0,0|0,0,0]=2 1962 B8R0.3 CCNC(=O)C(=O)CC 1458a_200011297158_100000210202 [0,1,1,0,0,0|2,0,0]=4 1963 B8R0.3 CCNC(=O)C(=O)NC 1626a_100102657272_200011297158 [0,1,1,0,0,0|1,0,1]=4 1964 B8R0.3 CCNC(=O)C(=O)NC 240690a_100015525214_100011218921 [0,1,1,0,0,0|1,0,1]=4 1965 B8R0.3 CCNC(=O)C(=O)NC 240690a_100102657272_200011297158 [0,1,1,0,0,0|1,0,1]=4 1966 B8R0.3 CCNC(=O)C(=O)NC 527a_100015525214_100011218921 [0,1,1,0,0,0|1,0,1]=4 1967 B8R0.3 CCNC(=O)C(=O)NC 527a_100102657272_200011297158 [0,1,1,0,0,0|1,0,1]=4 1968 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,1,0,0,0|2,0,0]=4 1969 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,1,1,0,0,0|1,0,0]=3 1970 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,1,1,0,0,0|2,0,0]=4 1971 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,1,1,0,0,0|1,0,0]=3 1972 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,1,1,0,0,0|1,0,0]=3 1973 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,1,1,0,0,0|1,0,0]=3 1974 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [0,1,1,0,0,0|1,0,1]=4 1975 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [0,1,1,0,0,0|1,0,1]=4 1976 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [0,1,1,0,0,0|1,0,1]=4 1977 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,1,0,0,0|2,0,0]=4 1978 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,1,1,0,0,0|1,0,0]=3 1979 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1980 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1981 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,1,1,0,0,0|1,0,0]=3 1982 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,1,1,0,0,0|1,0,0]=3 1983 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,1,1,0,0,0|2,0,0]=4 1984 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,1,1,0,0,0|2,0,0]=4 1985 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,1,1,0,0,0|2,0,0]=4 1986 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,1,1,0,0,0|1,0,0]=3 1987 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,1,0,0,0|2,0,0]=4 1988 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,1,0,0,0|2,0,0]=4 1989 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,1,0,0,0|2,0,0]=4 1990 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,1,1,0,0,0|1,0,0]=3 1991 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,1,1,0,0,0|1,0,0]=3 1992 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,1,1,0,0,0|1,0,0]=3 1993 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,1,1,0,0,0|1,0,0]=3 1994 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,1,1,0,0,0|1,0,0]=3 1995 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,1,1,0,0,0|1,0,0]=3 1996 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,1,1,0,0,0|2,0,0]=4 1997 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,1,1,0,0,0|2,0,0]=4 1998 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,1,1,0,0,0|1,0,0]=3 1999 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,1,1,0,0,0|1,0,0]=3 2000 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,1,1,0,0,0|2,0,0]=4 2001 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,1,1,0,0,0|2,0,0]=4 2002 B8R0.3 CNC(=O)C(=O)CCF 1458a_100011218921_100011217306 [0,1,1,0,0,0|1,0,1]=4 2003 B8R0.3 CNC(=O)C(=O)CCO 1458a_100011218921_100000211926 [0,1,1,0,0,0|1,0,1]=4 2004 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,1,1,0,0,0|1,0,0]=3 2005 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,1,1,0,0,0|1,0,0]=3 2006 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,1,0,0,0|1,0,0]=3 2007 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,1,0,0,0|1,0,0]=3 2008 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,1,0,0,0|1,0,0]=3 2009 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,1,0,0,0|1,0,0]=3 2010 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,1,1,0,0,0|1,0,0]=3 2011 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,1,1,0,0,0|1,0,0]=3 2012 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,1,1,0,0,0|1,0,0]=3 2013 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,1,1,0,0,0|1,0,0]=3 2014 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,1,1,0,0,0|2,0,0]=4 2015 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,1,1,0,0,0|2,0,0]=4 2016 B8R0.3 CNC(=O)C(F)SCF 62a_100009813575_100015361967 [0,1,1,0,0,0|2,0,0]=4 2017 B8R0.3 CNC(=O)C(F)SCF 62a_100015361967_100009813575 [0,1,1,0,0,0|2,0,0]=4 2018 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,1,1,0,0,0|2,0,0]=4 2019 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,1,1,0,0,0|2,0,0]=4 2020 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,1,1,0,0,0|2,0,0]=4 2021 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,1,1,0,0,0|1,0,0]=3 2022 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,1,1,0,0,0|1,0,0]=3 2023 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,1,1,0,0,0|2,0,0]=4 2024 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 2025 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,1,0,0,0|2,0,0]=4 2026 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,1,1,0,0,0|2,0,0]=4 2027 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,1,1,0,0,0|2,0,0]=4 2028 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,1,1,0,0,0|2,0,0]=4 2029 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,1,1,0,0,0|2,0,0]=4 2030 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,1,1,0,0,0|2,0,0]=4 2031 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,1,1,0,0,0|2,0,0]=4 2032 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 2033 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,1,0,0,0|2,0,0]=4 2034 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,1,0,0,0|2,0,0]=4 2035 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,1,1,0,0,0|2,0,0]=4 2036 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,1,1,0,0,0|2,0,0]=4 2037 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,1,1,0,0,0|2,0,0]=4 2038 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,1,1,0,0,0|2,0,0]=4 2039 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,1,1,0,0,0|0,0,2]=4 2040 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,1,1,0,0,0|0,0,2]=4 2041 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,1,1,0,0,0|0,0,2]=4 2042 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,1,1,0,0,0|0,0,2]=4 2043 B8R0.8 C#CCNC(=O)C(C)C 11a_100000212058_100000210198 [0,1,1,0,0,0|0,0,2]=4 2044 B8R0.8 C#CCNC(=O)C(C)C 1626a_100000212058_100000210198 [0,1,1,0,0,0|0,0,2]=4 2045 B8R0.8 C#CCNC(=O)C(C)C 240690a_100000212058_100000210198 [0,1,1,0,0,0|0,0,2]=4 2046 B8R0.8 C#CCNC(=O)C(C)C 527a_100000212058_100000210198 [0,1,1,0,0,0|0,0,2]=4 2047 B8R0.8 C#CCNC(=O)C(C)F 11a_100000212058_100000062450 [0,1,1,0,0,0|0,0,2]=4 2048 B8R0.8 C#CCNC(=O)C(C)F 1626a_100000212058_100000062450 [0,1,1,0,0,0|0,0,2]=4 2049 B8R0.8 C#CCNC(=O)C(C)F 240690a_100000212058_100000062450 [0,1,1,0,0,0|0,0,2]=4 2050 B8R0.8 C#CCNC(=O)C(C)F 527a_100000212058_100000062450 [0,1,1,0,0,0|0,0,2]=4 2051 B8R0.8 C#CCNC(=O)[C@@H](C)O 240690a_100000212058_100000717761 [0,1,1,0,0,0|0,0,2]=4 2052 B8R0.8 C#CCNC(=O)[C@H](C)O 1626a_100000212058_217856618621 [0,1,1,0,0,0|0,0,2]=4 2053 B8R0.8 C#CCNC(=O)[C@H](C)O 240690a_100000212058_217856618621 [0,1,1,0,0,0|0,0,2]=4 2054 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,1,1,0,0,0|0,0,2]=4 2055 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,1,1,0,0,0|0,0,2]=4 2056 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,1,1,0,0,0|1,0,0]=3 2057 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,1,1,0,0,0|2,0,0]=4 2058 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,1,1,0,0,0|2,0,0]=4 2059 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,1,1,0,0,0|2,0,0]=4 2060 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,1,1,0,0,0|2,0,0]=4 2061 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,1,1,0,0,0|0,0,1]=3 2062 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,1,1,0,0,0|0,0,1]=3 2063 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,1,1,0,0,0|1,0,1]=4 2064 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,1,1,0,0,0|1,0,1]=4 2065 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,1,1,0,0,0|1,0,1]=4 2066 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,1,1,0,0,0|0,0,2]=4 2067 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,1,1,0,0,0|0,0,2]=4 2068 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,1,1,0,0,0|0,0,2]=4 2069 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,1,1,0,0,0|0,0,2]=4 2070 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,1,1,0,0,0|0,0,2]=4 2071 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,1,1,0,0,0|0,0,2]=4 2072 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,1,1,0,0,0|0,0,2]=4 2073 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,1,1,0,0,0|0,0,2]=4 2074 B8R0.8 C=CCNC(=O)C(C)C 1626a_100020586998_100000210198 [0,1,1,0,0,0|0,0,2]=4 2075 B8R0.8 C=CCNC(=O)C(C)C 240690a_100020586998_100000210198 [0,1,1,0,0,0|0,0,2]=4 2076 B8R0.8 C=CCNC(=O)C(C)C 527a_100020586998_100000210198 [0,1,1,0,0,0|0,0,2]=4 2077 B8R0.8 C=CCNC(=O)C(C)F 1626a_100020586998_100000062450 [0,1,1,0,0,0|0,0,2]=4 2078 B8R0.8 C=CCNC(=O)C(C)F 240690a_100020586998_100000062450 [0,1,1,0,0,0|0,0,2]=4 2079 B8R0.8 C=CCNC(=O)C(C)F 527a_100020586998_100000062450 [0,1,1,0,0,0|0,0,2]=4 2080 B8R0.8 C=CCNC(=O)[C@@H](C)O 240690a_100020586998_100000717761 [0,1,1,0,0,0|0,0,2]=4 2081 B8R0.8 C=CCNC(=O)[C@H](C)O 1626a_100020586998_217856618621 [0,1,1,0,0,0|0,0,2]=4 2082 B8R0.8 C=CCNC(=O)[C@H](C)O 240690a_100020586998_217856618621 [0,1,1,0,0,0|0,0,2]=4 2083 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,1,1,0,0,0|2,0,0]=4 2084 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,1,1,0,0,0|2,0,0]=4 2085 B8R0.8 CC(C)C(=O)NCC#N 1626a_100000734998_100000210198 [0,1,1,0,0,0|1,0,1]=4 2086 B8R0.8 CC(C)C(=O)NCC#N 527a_100000734998_100000210198 [0,1,1,0,0,0|1,0,1]=4 2087 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,1,1,0,0,0|1,0,0]=3 2088 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,1,1,0,0,0|1,0,0]=3 2089 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,1,1,0,0,0|1,0,0]=3 2090 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,1,1,0,0,0|1,0,0]=3 2091 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,1,1,0,0,0|1,0,0]=3 2092 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,1,1,0,0,0|1,0,0]=3 2093 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,1,1,0,0,0|2,0,0]=4 2094 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,1,1,0,0,0|2,0,0]=4 2095 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,1,1,0,0,0|2,0,0]=4 2096 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,1,1,0,0,0|2,0,0]=4 2097 B8R0.8 CC(F)C(=O)NCC#N 1626a_100000734998_100000062450 [0,1,1,0,0,0|1,0,1]=4 2098 B8R0.8 CC(F)C(=O)NCC#N 527a_100000734998_100000062450 [0,1,1,0,0,0|1,0,1]=4 2099 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,1,1,0,0,0|1,0,0]=3 2100 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,1,1,0,0,0|1,0,0]=3 2101 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,1,1,0,0,0|1,0,0]=3 2102 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,1,1,0,0,0|1,0,0]=3 2103 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,1,1,0,0,0|1,0,0]=3 2104 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,1,1,0,0,0|1,0,0]=3 2105 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,1,1,0,0,0|0,0,2]=4 2106 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,1,1,0,0,0|0,0,2]=4 2107 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,1,1,0,0,0|0,0,2]=4 2108 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,1,1,0,0,0|0,0,2]=4 2109 B8R0.8 CC=NNC(=O)C(C)C 4a_100000184118_200000210099 [0,1,1,0,0,0|1,0,1]=4 2110 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,1,1,0,0,0|1,0,1]=4 2111 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,1,1,0,0,0|1,0,1]=4 2112 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,1,1,0,0,0|0,0,2]=4 2113 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,1,1,0,0,0|0,0,2]=4 2114 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,1,1,0,0,0|0,0,2]=4 2115 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,1,1,0,0,0|1,0,0]=3 2116 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,1,1,0,0,0|1,0,0]=3 2117 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,1,1,0,0,0|1,0,0]=3 2118 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,1,1,0,0,0|2,0,0]=4 2119 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,1,1,0,0,0|0,0,0]=2 2120 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,1,1,0,0,0|0,0,0]=2 2121 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,1,1,0,0,0|0,0,0]=2 2122 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,1,1,0,0,0|0,0,0]=2 2123 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,1,1,0,0,0|1,0,0]=3 2124 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,1,1,0,0,0|1,0,0]=3 2125 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,1,1,0,0,0|1,0,1]=4 2126 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,1,1,0,0,0|1,0,1]=4 2127 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,1,1,0,0,0|1,0,1]=4 2128 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,1,1,0,0,0|0,0,1]=3 2129 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,1,1,0,0,0|1,0,1]=4 2130 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,1,1,0,0,0|0,0,1]=3 2131 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,1,1,0,0,0|0,0,0]=2 2132 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,1,1,0,0,0|0,0,0]=2 2133 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,1,1,0,0,0|0,0,0]=2 2134 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,1,1,0,0,0|0,0,0]=2 2135 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,1,1,0,0,0|0,0,0]=2 2136 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,1,1,0,0,0|0,0,0]=2 2137 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,1,1,0,0,0|0,0,0]=2 2138 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,1,1,0,0,0|0,0,0]=2 2139 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,1,1,0,0,0|1,0,0]=3 2140 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,1,1,0,0,0|1,0,0]=3 2141 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,1,1,0,0,0|1,0,0]=3 2142 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,1,1,0,0,0|1,0,0]=3 2143 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,1,1,0,0,0|1,0,0]=3 2144 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,1,1,0,0,0|1,0,0]=3 2145 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,1,1,0,0,0|0,0,0]=2 2146 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,1,1,0,0,0|0,0,0]=2 2147 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,1,1,0,0,0|0,0,0]=2 2148 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,1,1,0,0,0|1,0,1]=4 2149 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,1,1,0,0,0|2,0,0]=4 2150 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,1,1,0,0,0|1,0,0]=3 2151 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,1,1,0,0,0|1,0,0]=3 2152 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,1,1,0,0,0|1,0,0]=3 2153 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,1,1,0,0,0|1,0,0]=3 2154 B8R0.8 CCNNC(=O)C(F)F 22a_100000756455_100000210393 [0,1,1,0,0,0|2,0,0]=4 2155 B8R0.8 CCNNC(=O)C(O)O 22a_100000756455_100000233687 [0,1,1,0,0,0|2,0,0]=4 2156 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,1,1,0,0,0|1,0,0]=3 2157 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,1,1,0,0,0|1,0,0]=3 2158 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,1,1,0,0,0|2,0,0]=4 2159 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,1,1,0,0,0|2,0,0]=4 2160 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,1,1,0,0,0|2,0,0]=4 2161 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,1,1,0,0,0|1,0,0]=3 2162 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,1,1,0,0,0|1,0,0]=3 2163 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,1,1,0,0,0|1,0,0]=3 2164 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,1,1,0,0,0|1,0,0]=3 2165 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,1,1,0,0,0|1,0,0]=3 2166 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,1,1,0,0,0|2,0,0]=4 2167 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,1,1,0,0,0|2,0,0]=4 2168 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,1,1,0,0,0|2,0,0]=4 2169 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,1,1,0,0,0|2,0,0]=4 2170 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,1,1,0,0,0|2,0,0]=4 2171 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,1,1,0,0,0|1,0,0]=3 2172 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,1,1,0,0,0|1,0,0]=3 2173 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,1,1,0,0,0|1,0,0]=3 2174 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,1,1,0,0,0|1,0,0]=3 2175 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,1,1,0,0,0|1,0,0]=3 2176 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,1,1,0,0,0|1,0,0]=3 2177 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,1,1,0,0,0|1,0,1]=4 2178 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,1,1,0,0,0|1,0,1]=4 2179 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,1,1,0,0,0|1,0,1]=4 2180 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,1,1,0,0,0|1,0,1]=4 2181 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,1,1,0,0,0|1,0,0]=3 2182 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,1,1,0,0,0|1,0,0]=3 2183 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,1,1,0,0,0|1,0,0]=3 2184 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,1,1,0,0,0|1,0,0]=3 2185 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,1,1,0,0,0|2,0,0]=4 2186 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,1,1,0,0,0|2,0,0]=4 2187 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,1,1,0,0,0|1,0,0]=3 2188 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,1,1,0,0,0|1,0,0]=3 2189 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,1,1,0,0,0|1,0,0]=3 2190 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,1,1,0,0,0|2,0,0]=4 2191 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,1,1,0,0,0|2,0,0]=4 2192 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,1,1,0,0,0|2,0,0]=4 2193 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,1,1,0,0,0|1,0,0]=3 2194 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,1,1,0,0,0|1,0,0]=3 2195 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,1,1,0,0,0|1,0,0]=3 2196 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,1,1,0,0,0|1,0,0]=3 2197 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,1,1,0,0,0|1,0,0]=3 2198 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,1,1,0,0,0|2,0,0]=4 2199 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,1,1,0,0,0|2,0,0]=4 2200 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,1,1,0,0,0|2,0,0]=4 2201 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,1,1,0,0,0|2,0,0]=4 2202 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,1,1,0,0,0|2,0,0]=4 2203 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,1,1,0,0,0|1,0,0]=3 2204 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,1,1,0,0,0|1,0,0]=3 2205 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,1,1,0,0,0|1,0,0]=3 2206 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,1,1,0,0,0|1,0,0]=3 2207 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,1,1,0,0,0|1,0,0]=3 2208 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,1,1,0,0,0|1,0,0]=3 2209 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,1,1,0,0,0|2,0,0]=4 2210 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,1,1,0,0,0|2,0,0]=4 2211 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,1,1,0,0,0|2,0,0]=4 2212 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,1,1,0,0,0|2,0,0]=4 2213 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,1,1,0,0,0|2,0,0]=4 2214 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,1,1,0,0,0|2,0,0]=4 2215 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,1,1,0,0,0|1,0,0]=3 2216 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,1,1,0,0,0|1,0,0]=3 2217 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,1,1,0,0,0|2,0,0]=4 2218 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,1,1,0,0,0|2,0,0]=4 2219 B8R0.8 C[C@H](O)C(=O)NCC#N 1626a_100000734998_217856618621 [0,1,1,0,0,0|1,0,1]=4 2220 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,1,1,0,0,0|1,0,0]=3 2221 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,1,1,0,0,0|1,0,0]=3 2222 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,1,1,0,0,0|1,0,0]=3 2223 B8R0.8 O=C(NCCF)C(F)F 11a_100000724931_100000210393 [0,1,1,0,0,0|2,0,0]=4 2224 B8R0.8 O=C(NCCF)C(F)F 1626a_100000724931_100000210393 [0,1,1,0,0,0|2,0,0]=4 2225 B8R0.8 O=C(NCCF)C(F)F 240690a_100000724931_100000210393 [0,1,1,0,0,0|2,0,0]=4 2226 B8R0.8 O=C(NCCF)C(F)F 527a_100000724931_100000210393 [0,1,1,0,0,0|2,0,0]=4 2227 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,1,1,0,0,0|2,0,0]=4 2228 B8R0.8 O=C(NCCO)C(F)F 240690a_100000210304_100000210393 [0,1,1,0,0,0|2,0,0]=4 2229 B8R0.8 O=C(NCCO)C(F)F 527a_100000210304_100000210393 [0,1,1,0,0,0|2,0,0]=4 2230 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,1,1,0,0,0|2,0,0]=4 2231 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [0,1,1,0,0,0|1,0,1]=4 2232 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [0,1,1,0,0,0|1,0,1]=4 2233 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [0,1,1,0,0,0|1,0,1]=4 2234 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [0,1,1,0,0,0|1,0,1]=4 2235 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [0,1,1,0,0,0|0,0,1]=3 2236 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [0,1,1,0,0,0|0,0,1]=3 2237 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [0,1,1,0,0,0|0,0,1]=3 2238 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [0,1,1,0,0,0|0,0,1]=3 2239 B8R0.9 C=C(C)CNC(=O)CC 11a_100000765925_100000210414 [0,1,1,0,0,0|0,0,1]=3 2240 B8R0.9 C=C(C)CNC(=O)CC 1626a_100000765925_100000210414 [0,1,1,0,0,0|0,0,1]=3 2241 B8R0.9 C=C(C)CNC(=O)CC 240690a_100000765925_100000210414 [0,1,1,0,0,0|0,0,1]=3 2242 B8R0.9 C=C(C)CNC(=O)CC 527a_100000765925_100000210414 [0,1,1,0,0,0|0,0,1]=3 2243 B8R0.9 C=C(C)CNC(=O)CO 240690a_100000765925_100000210174 [0,1,1,0,0,0|1,0,1]=4 2244 B8R0.9 C=C(C)CNC(=O)CO 527a_100000765925_100000210174 [0,1,1,0,0,0|1,0,1]=4 2245 B8R0.9 C=C(C)CNC(=O)NC 2708a_100000765925_106832991635 [0,1,1,0,0,0|1,0,1]=4 2246 B8R0.9 C=C(C)CNC(=O)NC 2708a_100102657272_100000765925 [0,1,1,0,0,0|1,0,1]=4 2247 B8R0.9 C=C(C)CNC(=O)NC 273464a_100000765925_100102657272 [0,1,1,0,0,0|1,0,1]=4 2248 B8R0.9 C=C(C)CNC(=O)NC 273464a_100102657272_100000765925 [0,1,1,0,0,0|1,0,1]=4 2249 B8R0.9 C=C(C)CNC(=O)NC 512a_100000765925_100102657272 [0,1,1,0,0,0|1,0,1]=4 2250 B8R0.9 C=C(C)CNC(=O)NC 512a_106832991638_100000765925 [0,1,1,0,0,0|1,0,1]=4 2251 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [0,1,1,0,0,0|1,0,1]=4 2252 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [0,1,1,0,0,0|1,0,1]=4 2253 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [0,1,1,0,0,0|0,0,2]=4 2254 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [0,1,1,0,0,0|0,0,2]=4 2255 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [0,1,1,0,0,0|0,0,2]=4 2256 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [0,1,1,0,0,0|2,0,0]=4 2257 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [0,1,1,0,0,0|2,0,0]=4 2258 B8R0.9 CC(C)CCC(C)N[13CH3] 2230a_100138410893_200025704644 [0,1,1,0,0,0|1,0,1]=4 2259 B8R0.9 CC(C)CNC(=O)CO 240690a_100000210953_100000210174 [0,1,1,0,0,0|1,0,0]=3 2260 B8R0.9 CC(C)CNC(=O)CO 527a_100000210953_100000210174 [0,1,1,0,0,0|1,0,0]=3 2261 B8R0.9 CC(C)NNC(=O)CO 22a_100000741168_100000210174 [0,1,1,0,0,0|2,0,0]=4 2262 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [0,1,1,0,0,0|2,0,0]=4 2263 B8R0.9 CC(O)CNC(=O)CO 240690a_100000210904_100000210174 [0,1,1,0,0,0|1,0,0]=3 2264 B8R0.9 CC(O)CNC(=O)CO 527a_100000210904_100000210174 [0,1,1,0,0,0|1,0,0]=3 2265 B8R0.9 CCC(=O)C=CC(C)C 1458a_100016268746_100000210202 [0,1,1,0,0,0|1,0,1]=4 2266 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [0,1,1,0,0,0|1,0,0]=3 2267 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [0,1,1,0,0,0|1,0,0]=3 2268 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [0,1,1,0,0,0|1,0,0]=3 2269 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [0,1,1,0,0,0|2,0,0]=4 2270 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [0,1,1,0,0,0|2,0,0]=4 2271 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [0,1,1,0,0,0|2,0,0]=4 2272 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [0,1,1,0,0,0|2,0,0]=4 2273 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [0,1,1,0,0,0|2,0,0]=4 2274 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [0,1,1,0,0,0|2,0,0]=4 2275 B8R0.9 CCC(=O)NCC(=O)C 1458a_100000194589_200000210301 [0,1,1,0,0,0|0,0,1]=3 2276 B8R0.9 CCC(=O)NCC(=O)N 11a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 2277 B8R0.9 CCC(=O)NCC(=O)N 240690a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 2278 B8R0.9 CCC(=O)NCC(=O)N 527a_100000711301_100000210414 [0,1,1,0,0,0|1,0,1]=4 2279 B8R0.9 CCC(=O)NCC(=O)[13CH3] 1458a_100000194589_200025704644 [0,1,1,0,0,0|0,0,1]=3 2280 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [0,1,1,0,0,0|0,0,0]=2 2281 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [0,1,1,0,0,0|0,0,0]=2 2282 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [0,1,1,0,0,0|0,0,0]=2 2283 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [0,1,1,0,0,0|0,0,0]=2 2284 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [0,1,1,0,0,0|0,0,0]=2 2285 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [0,1,1,0,0,0|0,0,0]=2 2286 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [0,1,1,0,0,0|0,0,0]=2 2287 B8R0.9 CCC(=O)NCC(F)F 11a_100000765723_100000210414 [0,1,1,0,0,0|1,0,0]=3 2288 B8R0.9 CCC(=O)NCC(F)F 1626a_100000765723_100000210414 [0,1,1,0,0,0|1,0,0]=3 2289 B8R0.9 CCC(=O)NCC(F)F 240690a_100000765723_100000210414 [0,1,1,0,0,0|1,0,0]=3 2290 B8R0.9 CCC(=O)NCC(F)F 527a_100000765723_100000210414 [0,1,1,0,0,0|1,0,0]=3 2291 B8R0.9 CCC(=O)NNC(=O)C 22a_100000183195_100000070787 [0,1,1,0,0,0|1,0,1]=4 2292 B8R0.9 CCC(=O)NNC(=O)C 22a_100000189765_100000210414 [0,1,1,0,0,0|1,0,1]=4 2293 B8R0.9 CCC(=O)NNC(C)C 22a_100000741168_100000210414 [0,1,1,0,0,0|1,0,0]=3 2294 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,1,1,0,0,0|1,0,1]=4 2295 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,1,1,0,0,0|1,0,1]=4 2296 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,1,1,0,0,0|1,0,1]=4 2297 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,1,1,0,0,0|1,0,1]=4 2298 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,1,1,0,0,0|1,0,1]=4 2299 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,1,1,0,0,0|1,0,1]=4 2300 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,1,1,0,0,0|1,0,1]=4 2301 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,1,1,0,0,0|1,0,1]=4 2302 B8R0.9 CNC(=O)C=CC(C)C 11a_106832991635_100016268746 [0,1,1,0,0,0|0,0,2]=4 2303 B8R0.9 CNC(=O)C=CC(C)C 1626a_100102657272_100016268746 [0,1,1,0,0,0|0,0,2]=4 2304 B8R0.9 CNC(=O)C=CC(C)C 240690a_100102657272_100016268746 [0,1,1,0,0,0|0,0,2]=4 2305 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [0,1,1,0,0,0|0,0,2]=4 2306 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [0,1,1,0,0,0|0,0,2]=4 2307 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [0,1,1,0,0,0|0,0,2]=4 2308 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [0,1,1,0,0,0|0,0,2]=4 2309 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [0,1,1,0,0,0|0,0,1]=3 2310 B8R0.9 CNC(=O)CCC(=O)N 240690a_100102657272_100011215257 [0,1,1,0,0,0|1,0,1]=4 2311 B8R0.9 CNC(=O)CCC(=O)N 527a_100102657272_100011215257 [0,1,1,0,0,0|1,0,1]=4 2312 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [0,1,1,0,0,0|0,0,1]=3 2313 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [0,1,1,0,0,0|0,0,0]=2 2314 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [0,1,1,0,0,0|0,0,0]=2 2315 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [0,1,1,0,0,0|0,0,0]=2 2316 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [0,1,1,0,0,0|0,0,0]=2 2317 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [0,1,1,0,0,0|0,0,0]=2 2318 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [0,1,1,0,0,0|1,0,0]=3 2319 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [0,1,1,0,0,0|1,0,0]=3 2320 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [0,1,1,0,0,0|1,0,0]=3 2321 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [0,1,1,0,0,0|1,0,0]=3 2322 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [0,1,1,0,0,0|1,0,0]=3 2323 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [0,1,1,0,0,0|1,0,0]=3 2324 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [0,1,1,0,0,0|1,0,0]=3 2325 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [0,1,1,0,0,0|1,0,0]=3 2326 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [0,1,1,0,0,0|1,0,0]=3 2327 B8R0.9 CNC(=O)CC[N+](=O)[O-] 11a_106832991635_200000064761 [0,1,1,0,0,0|2,0,0]=4 2328 B8R0.9 CNC(=O)CC[N+](=O)[O-] 1626a_100102657272_200000064761 [0,1,1,0,0,0|2,0,0]=4 2329 B8R0.9 CNC(=O)CC[N+](=O)[O-] 240690a_100102657272_200000064761 [0,1,1,0,0,0|2,0,0]=4 2330 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [0,1,1,0,0,0|1,0,0]=3 2331 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [0,1,1,0,0,0|1,0,0]=3 2332 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [0,1,1,0,0,0|1,0,0]=3 2333 B8R0.9 CNC(=O)CNC(=O)C 11a_100000693194_100015343762 [0,1,1,0,0,0|1,0,1]=4 2334 B8R0.9 CNC(=O)CNC(=O)C 11a_106832991635_100000194580 [0,1,1,0,0,0|1,0,1]=4 2335 B8R0.9 CNC(=O)CNC(=O)C 1626a_100102657272_100000194580 [0,1,1,0,0,0|1,0,1]=4 2336 B8R0.9 CNC(=O)CNC(=O)C 240690a_100000693194_100015343762 [0,1,1,0,0,0|1,0,1]=4 2337 B8R0.9 CNC(=O)CNC(=O)C 240690a_100102657272_100000194580 [0,1,1,0,0,0|1,0,1]=4 2338 B8R0.9 CNC(=O)CNC(=O)C 527a_100000693194_100103153847 [0,1,1,0,0,0|1,0,1]=4 2339 B8R0.9 CNC(=O)CNC(=O)C 527a_100102657272_100000194580 [0,1,1,0,0,0|1,0,1]=4 2340 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [0,1,1,0,0,0|1,0,0]=3 2341 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [0,1,1,0,0,0|1,0,0]=3 2342 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [0,1,1,0,0,0|1,0,0]=3 2343 B8R0.9 CNC(=O)COC(=O)C 1626a_100102657272_100000183556 [0,1,1,0,0,0|1,0,1]=4 2344 B8R0.9 CNC(=O)COC(=O)C 240690a_100102657272_100000183556 [0,1,1,0,0,0|1,0,1]=4 2345 B8R0.9 CNC(=O)COC(=O)C 527a_100102657272_100000183556 [0,1,1,0,0,0|1,0,1]=4 2346 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [0,1,1,0,0,0|1,0,0]=3 2347 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [0,1,1,0,0,0|1,0,0]=3 2348 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [0,1,1,0,0,0|1,0,0]=3 2349 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [0,1,1,0,0,0|1,0,0]=3 2350 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [0,1,1,0,0,0|1,0,0]=3 2351 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [0,1,1,0,0,0|1,0,0]=3 2352 B8R0.9 CNC(=O)COC(F)F 11a_106832991635_200000719455 [0,1,1,0,0,0|2,0,0]=4 2353 B8R0.9 CNC(=O)COC(F)F 1626a_100102657272_200000719455 [0,1,1,0,0,0|2,0,0]=4 2354 B8R0.9 CNC(=O)COC(F)F 240690a_100102657272_200000719455 [0,1,1,0,0,0|2,0,0]=4 2355 B8R0.9 CNC(=O)COC(F)F 527a_100102657272_200000719455 [0,1,1,0,0,0|2,0,0]=4 2356 B8R0.9 CNC(=O)CSC(=O)C 11a_106832991635_100000049016 [0,1,1,0,0,0|1,0,1]=4 2357 B8R0.9 CNC(=O)CSC(=O)C 1626a_100102657272_100000049016 [0,1,1,0,0,0|1,0,1]=4 2358 B8R0.9 CNC(=O)CSC(=O)C 240690a_100102657272_100000049016 [0,1,1,0,0,0|1,0,1]=4 2359 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [0,1,1,0,0,0|1,0,0]=3 2360 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [0,1,1,0,0,0|1,0,0]=3 2361 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [0,1,1,0,0,0|1,0,0]=3 2362 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [0,1,1,0,0,0|1,0,0]=3 2363 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [0,1,1,0,0,0|1,0,0]=3 2364 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [0,1,1,0,0,0|1,0,0]=3 2365 B8R0.9 CNC(=O)CSC(F)F 11a_106832991635_114828291038 [0,1,1,0,0,0|2,0,0]=4 2366 B8R0.9 CNC(=O)CSC(F)F 1626a_100102657272_114828291038 [0,1,1,0,0,0|2,0,0]=4 2367 B8R0.9 CNC(=O)CSC(F)F 240690a_100102657272_114828291038 [0,1,1,0,0,0|2,0,0]=4 2368 B8R0.9 CNC(=O)CSC(F)F 527a_100102657272_114828291038 [0,1,1,0,0,0|2,0,0]=4 2369 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [0,1,1,0,0,0|1,0,0]=3 2370 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [0,1,1,0,0,0|1,0,0]=3 2371 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [0,1,1,0,0,0|1,0,0]=3 2372 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [0,1,1,0,0,0|1,0,0]=3 2373 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [0,1,1,0,0,0|1,0,0]=3 2374 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [0,1,1,0,0,0|1,0,0]=3 2375 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [0,1,1,0,0,0|1,0,0]=3 2376 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [0,1,1,0,0,0|1,0,0]=3 2377 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [0,1,1,0,0,0|1,0,0]=3 2378 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [0,1,1,0,0,0|1,0,0]=3 2379 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [0,1,1,0,0,0|1,0,0]=3 2380 B8R0.9 CNC(=O)NCC(F)F 2708a_100102657272_100000765723 [0,1,1,0,0,0|2,0,0]=4 2381 B8R0.9 CNC(=O)NCC(F)F 273464a_100000765723_100102657272 [0,1,1,0,0,0|2,0,0]=4 2382 B8R0.9 CNC(=O)NCC(F)F 273464a_100102657272_100000765723 [0,1,1,0,0,0|2,0,0]=4 2383 B8R0.9 CNC(=O)NCC(F)F 512a_100000765723_100102657272 [0,1,1,0,0,0|2,0,0]=4 2384 B8R0.9 CNC(=O)NCC(F)F 512a_106832991638_100000765723 [0,1,1,0,0,0|2,0,0]=4 2385 B8R0.9 CNC(=O)NNC(C)C 273464a_100102657272_100000741168 [0,1,1,0,0,0|2,0,0]=4 2386 B8R0.9 CNC(=O)NNC(C)C 512a_100000741168_100102657272 [0,1,1,0,0,0|2,0,0]=4 2387 B8R0.9 CNC(=O)NNC(C)C 512a_106832991638_100000741168 [0,1,1,0,0,0|2,0,0]=4 2388 B8R0.9 CNC(C)CCC(C)C 2230a_100138410893_200000210301 [0,1,1,0,0,0|1,0,1]=4 2389 B8R0.9 CNC(C)CCC(C)C 2230a_106832991635_100011261404 [0,1,1,0,0,0|1,0,1]=4 2390 B8R0.9 CNC(C)CCC(C)C 270004a_106832991635_100000210476 [0,1,1,0,0,0|1,0,1]=4 2391 B8R0.9 CNC(C)CCC(C)C 34a_100102657272_100011261404 [0,1,1,0,0,0|1,0,1]=4 2392 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [0,1,1,0,0,0|1,0,1]=4 2393 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [0,1,1,0,0,0|1,0,1]=4 2394 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2395 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [0,1,1,0,0,0|2,0,0]=4 2396 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [0,1,1,0,0,0|2,0,0]=4 2397 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [0,1,1,0,0,0|2,0,0]=4 2398 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [0,1,1,0,0,0|2,0,0]=4 2399 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [0,1,1,0,0,0|2,0,0]=4 2400 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [0,1,1,0,0,0|2,0,0]=4 2401 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [0,1,1,0,0,0|2,0,0]=4 2402 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [0,1,1,0,0,0|2,0,0]=4 2403 B8R0.9 COC(=O)NCC(=O)C 1458a_100000215747_200000210301 [0,1,1,0,0,0|1,0,1]=4 2404 B8R0.9 COC(=O)NCC(=O)[13CH3] 1458a_100000215747_200025704644 [0,1,1,0,0,0|1,0,1]=4 2405 B8R0.9 O=C(CO)NCC(F)F 240690a_100000765723_100000210174 [0,1,1,0,0,0|2,0,0]=4 2406 B8R0.9 O=C(CO)NCC(F)F 527a_100000765723_100000210174 [0,1,1,0,0,0|2,0,0]=4 2407 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,1,0,0,0|1,0,1]=4 2408 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,1,0,0,0|1,0,1]=4 2409 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,1,0,0,0|1,0,1]=4 2410 B8R0.11 CCCC[C@@H](CO)NC 2230a_100011934283_200000210301 [0,1,1,0,0,0|0,0,2]=4 2411 B8R0.11 CCCC[C@@H](CO)NC 34a_100011934283_200000210301 [0,1,1,0,0,0|0,0,2]=4 2412 B8R0.11 CCCC[C@@H](CO)N[13CH3] 2230a_100011934283_200025704644 [0,1,1,0,0,0|0,0,2]=4 2413 B8R0.11 CCCC[C@@H](CO)N[13CH3] 34a_100011934283_200025704644 [0,1,1,0,0,0|0,0,2]=4 2414 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,1,1,0,0,0|1,0,1]=4 2415 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,1,1,0,0,0|1,0,1]=4 2416 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,1,1,0,0,0|0,0,2]=4 2417 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,1,0,0,0|1,0,1]=4 2418 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,1,0,0,0|1,0,1]=4 2419 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,1,0,0,0|1,0,1]=4 2420 B8R0.19 C#CC(C)NC(=O)CC 11a_100000707721_100000210414 [0,1,1,0,0,0|0,0,2]=4 2421 B8R0.19 C#CC(C)NC(=O)CC 1626a_100000707721_100000210414 [0,1,1,0,0,0|0,0,2]=4 2422 B8R0.19 C#CC(C)NC(=O)CC 240690a_100000707721_100000210414 [0,1,1,0,0,0|0,0,2]=4 2423 B8R0.19 C#CC(C)NC(=O)CC 527a_100000707721_100000210414 [0,1,1,0,0,0|0,0,2]=4 2424 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,1,0,0,0|1,0,1]=4 2425 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,1,0,0,0|1,0,1]=4 2426 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,1,0,0,0|1,0,1]=4 2427 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,1,0,0,0|0,0,2]=4 2428 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,1,0,0,0|0,0,2]=4 2429 B8R0.19 C=CC(C)CC(=O)NC 11a_106832991635_100011934298 [0,1,1,0,0,0|0,0,2]=4 2430 B8R0.19 C=CC(C)CC(=O)NC 1626a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2431 B8R0.19 C=CC(C)CC(=O)NC 240690a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2432 B8R0.19 C=CC(C)CC(=O)NC 527a_100102657272_100011934298 [0,1,1,0,0,0|0,0,2]=4 2433 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,1,0,0,0|0,0,2]=4 2434 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,1,0,0,0|0,0,2]=4 2435 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,1,0,0,0|0,0,2]=4 2436 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,1,0,0,0|1,0,1]=4 2437 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [0,1,1,0,0,0|1,0,1]=4 2438 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [0,1,1,0,0,0|0,0,1]=3 2439 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,1,0,0,0|1,0,1]=4 2440 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,1,0,0,0|1,0,1]=4 2441 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,1,0,0,0|1,0,0]=3 2442 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,1,0,0,0|1,0,0]=3 2443 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,1,0,0,0|1,0,0]=3 2444 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,1,0,0,0|1,0,0]=3 2445 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,1,0,0,0|2,0,0]=4 2446 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,1,0,0,0|2,0,0]=4 2447 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,1,0,0,0|1,0,0]=3 2448 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,1,0,0,0|2,0,0]=4 2449 B8R0.19 CCC(=O)NC(C)C#N 11a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2450 B8R0.19 CCC(=O)NC(C)C#N 1626a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2451 B8R0.19 CCC(=O)NC(C)C#N 527a_100000737613_100000210414 [0,1,1,0,0,0|1,0,1]=4 2452 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,1,0,0,0|0,0,0]=2 2453 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,1,0,0,0|0,0,0]=2 2454 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,1,0,0,0|0,0,0]=2 2455 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,1,0,0,0|0,0,0]=2 2456 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2457 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2458 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2459 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,1,0,0,0|1,0,0]=3 2460 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,1,0,0,0|1,0,0]=3 2461 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,1,0,0,0|1,0,0]=3 2462 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,1,0,0,0|2,0,0]=4 2463 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,1,0,0,0|2,0,0]=4 2464 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,1,0,0,0|0,0,0]=2 2465 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2466 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2467 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,1,0,0,0|0,0,0]=2 2468 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,1,1,0,0,0|1,0,1]=4 2469 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,1,1,0,0,0|1,0,1]=4 2470 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,1,1,0,0,0|1,0,1]=4 2471 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 2472 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,1,0,0,0|1,0,0]=3 2473 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,1,0,0,0|1,0,0]=3 2474 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 2475 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 2476 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,1,0,0,0|1,0,0]=3 2477 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,1,0,0,0|1,0,0]=3 2478 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,1,0,0,0|1,0,0]=3 2479 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,1,1,0,0,0|1,0,1]=4 2480 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,1,0,0,0|2,0,0]=4 2481 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,1,0,0,0|2,0,0]=4 2482 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,1,0,0,0|0,0,0]=2 2483 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,1,0,0,0|0,0,0]=2 2484 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,1,0,0,0|1,0,0]=3 2485 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,1,0,0,0|1,0,0]=3 2486 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,1,0,0,0|1,0,0]=3 2487 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,1,0,0,0|1,0,0]=3 2488 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,1,0,0,0|1,0,0]=3 2489 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,1,0,0,0|2,0,0]=4 2490 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 2491 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,1,0,0,0|2,0,0]=4 2492 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,1,0,0,0|2,0,0]=4 2493 B8R0.19 CNC(=O)CC(=O)CO 1458a_100000210174_100000183359 [0,1,1,0,0,0|1,0,1]=4 2494 B8R0.19 CNC(=O)CC(=O)OC 240690a_100102657272_100000211351 [0,1,1,0,0,0|1,0,1]=4 2495 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 2496 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,1,0,0,0|2,0,0]=4 2497 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 2498 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,1,0,0,0|2,0,0]=4 2499 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,1,0,0,0|2,0,0]=4 2500 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,1,0,0,0|2,0,0]=4 2501 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 2502 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,1,0,0,0|2,0,0]=4 2503 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,1,0,0,0|2,0,0]=4 2504 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 2505 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,1,0,0,0|2,0,0]=4 2506 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,1,0,0,0|2,0,0]=4 2507 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,1,0,0,0|2,0,0]=4 2508 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,1,0,0,0|2,0,0]=4 2509 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,1,0,0,0|2,0,0]=4 2510 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,1,0,0,0|2,0,0]=4 2511 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,1,0,0,0|2,0,0]=4 2512 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 2513 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,1,0,0,0|2,0,0]=4 2514 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 2515 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,1,0,0,0|2,0,0]=4 2516 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [0,1,1,0,0,0|1,0,0]=3 2517 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [0,1,1,0,0,0|1,0,0]=3 2518 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [0,1,1,0,0,0|1,0,0]=3 2519 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,1,1,0,0,0|1,0,1]=4 2520 B8R0.25 CCCNS(=O)(=O)CC 270084a_100020643023_100000211323 [0,1,1,0,0,0|1,0,0]=3 2521 B8R0.25 CCCNS(=O)(=O)CC 274078a_100020643023_100000211323 [0,1,1,0,0,0|1,0,0]=3 2522 B8R0.25 CCCNS(=O)(=O)CC 40a_100020643023_100000053943 [0,1,1,0,0,0|1,0,0]=3 2523 B8R0.25 CCCNS(=O)(=O)CCl 270084a_100020643023_100000031410 [0,1,1,0,0,0|2,0,0]=4 2524 B8R0.25 CCCNS(=O)(=O)CCl 274078a_100020643023_100000031410 [0,1,1,0,0,0|2,0,0]=4 2525 B8R0.25 CCNNS(=O)(=O)CC 40a_100000756455_100000053943 [0,1,1,0,0,0|2,0,0]=4 2526 B8R0.25 CCS(=O)(=O)NCCF 270084a_100000724931_100000211323 [0,1,1,0,0,0|2,0,0]=4 2527 B8R0.25 CCS(=O)(=O)NCCF 274078a_100000724931_100000211323 [0,1,1,0,0,0|2,0,0]=4 2528 B8R0.25 CCS(=O)(=O)NCCF 40a_100000724931_100000053943 [0,1,1,0,0,0|2,0,0]=4 2529 B8R0.25 CCS(=O)(=O)NCCO 270084a_100000210304_100000211323 [0,1,1,0,0,0|2,0,0]=4 2530 B8R0.25 CCS(=O)(=O)NCCO 274078a_100000210304_100000211323 [0,1,1,0,0,0|2,0,0]=4 2531 B8R0.25 CCS(=O)(=O)NCCO 40a_100000210304_100000053943 [0,1,1,0,0,0|2,0,0]=4 2532 B8R0.25 CNCCS(=O)(=O)NC 2230a_100000710037_200000210301 [0,1,1,0,0,0|2,0,0]=4 2533 B8R0.25 CNCCS(=O)(=O)NC 34a_100000710037_200000210301 [0,1,1,0,0,0|2,0,0]=4 2534 B8R0.25 CNS(=O)(=O)CCCCl 270084a_100102657272_100000211827 [0,1,1,0,0,0|2,0,0]=4 2535 B8R0.25 CNS(=O)(=O)CCCF 270084a_100102657272_200000759752 [0,1,1,0,0,0|2,0,0]=4 2536 B8R0.25 CNS(=O)(=O)CCCF 274078a_100102657272_200000759752 [0,1,1,0,0,0|2,0,0]=4 2537 B8R0.25 CNS(=O)(=O)CCN[13CH3] 2230a_100000710037_200025704644 [0,1,1,0,0,0|2,0,0]=4 2538 B8R0.25 CNS(=O)(=O)CCN[13CH3] 34a_100000710037_200025704644 [0,1,1,0,0,0|2,0,0]=4 2539 B8R0.25 CNS(=O)(=O)CCOC 270084a_100102657272_100000745348 [0,1,1,0,0,0|2,0,0]=4 2540 B8R0.25 CNS(=O)(=O)CCOC 274078a_100102657272_100000745348 [0,1,1,0,0,0|2,0,0]=4 2541 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [0,1,1,0,0,0|1,0,1]=4 2542 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [0,1,1,0,0,0|1,0,1]=4 2543 B8R0.5 CC(=O)NC(=O)CS[13CH3] 62a_200025704644_100000183797 [0,1,1,0,0,0|1,0,1]=4 2544 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 2545 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 2546 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,1,0,0,0|1,0,1]=4 2547 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,1,0,0,0|1,0,1]=4 2548 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,1,0,0,0|1,0,0]=3 2549 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,1,0,0,0|1,0,0]=3 2550 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,1,0,0,0|1,0,1]=4 2551 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,1,0,0,0|1,0,1]=4 2552 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [0,1,1,0,0,0|1,0,1]=4 2553 B8R0.5 CCCC(=O)CC(=O)N 1458a_100000211992_100000187820 [0,1,1,0,0,0|0,0,1]=3 2554 B8R0.5 CCCC(=O)CC(=O)N 1458a_100134613110_100000210303 [0,1,1,0,0,0|0,0,1]=3 2555 B8R0.5 CCCC(=O)CC(=O)[O-] 1458a_100000211992_100020667443 [0,1,1,0,0,0|1,0,1]=4 2556 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,1,0,0,0|1,0,0]=3 2557 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,1,0,0,0|1,0,0]=3 2558 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,1,0,0,0|1,0,0]=3 2559 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,1,0,0,0|0,0,0]=2 2560 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,1,0,0,0|0,0,0]=2 2561 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,1,0,0,0|0,0,0]=2 2562 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,1,0,0,0|0,0,0]=2 2563 B8R0.5 CCCC(C)NC(C)C 2230a_100000741246_100000210206 [0,1,1,0,0,0|1,0,1]=4 2564 B8R0.5 CCCC(C)NC(C)C 2230a_100138425928_100000766640 [0,1,1,0,0,0|1,0,1]=4 2565 B8R0.5 CCCC(C)NC(C)C 34a_100138425928_100000766640 [0,1,1,0,0,0|1,0,1]=4 2566 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,1,0,0,0|1,0,0]=3 2567 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,1,0,0,0|1,0,0]=3 2568 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,1,0,0,0|1,0,0]=3 2569 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,1,0,0,0|2,0,0]=4 2570 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,1,0,0,0|2,0,0]=4 2571 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [0,1,1,0,0,0|2,0,0]=4 2572 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [0,1,1,0,0,0|2,0,0]=4 2573 B8R0.5 CCNC(=O)CC(=O)N 240690a_100015525214_100134613110 [0,1,1,0,0,0|1,0,1]=4 2574 B8R0.5 CCNC(=O)CC(=O)N 527a_100015525214_100134613110 [0,1,1,0,0,0|1,0,1]=4 2575 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,1,0,0,0|2,0,0]=4 2576 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,1,0,0,0|2,0,0]=4 2577 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,1,0,0,0|2,0,0]=4 2578 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,1,0,0,0|2,0,0]=4 2579 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,1,0,0,0|2,0,0]=4 2580 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,1,0,0,0|2,0,0]=4 2581 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,1,0,0,0|2,0,0]=4 2582 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,1,0,0,0|2,0,0]=4 2583 B8R0.5 CNCC(=O)NC(=O)C 7a_106832991635_100000183797 [0,1,1,0,0,0|1,0,1]=4 2584 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,1,0,0,0|2,0,0]=4 2585 B8R0.5 COCC(=O)CC(=O)N 1458a_100000210968_100000187820 [0,1,1,0,0,0|1,0,1]=4 2586 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,1,0,0,0|2,0,0]=4 2587 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2588 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2589 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,1,0,0,0|1,0,0]=3 2590 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,1,0,0,0|1,0,0]=3 2591 B8R0.5 CSCC(=O)CC(=O)N 1458a_100000184570_100000187820 [0,1,1,0,0,0|1,0,1]=4 2592 B8R0.5 CSCC(=O)NC(=O)C 62a_200000210301_100000183797 [0,1,1,0,0,0|1,0,1]=4 2593 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,1,0,0,0|2,0,0]=4 2594 B8R0.5 NC(=O)CC(=O)CCF 1458a_100134613110_100011217306 [0,1,1,0,0,0|1,0,1]=4 2595 B8R0.5 NC(=O)CC(=O)CCO 1458a_100011216618_100000187820 [0,1,1,0,0,0|1,0,1]=4 2596 B8R0.5 NC(=O)CC(=O)CCO 1458a_100134613110_100000211926 [0,1,1,0,0,0|1,0,1]=4 2597 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,1,0,0,0|2,0,0]=4 2598 B8R0.21 CCCCNC(C)(C)C 2230a_100000715429_100000210211 [0,1,1,0,0,0|1,0,1]=4 2599 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [0,1,1,0,0,0|1,0,0]=3 2600 B8R0.21 CCCNNS(=O)(=O)C 40a_100000740057_100000738038 [0,1,1,0,0,0|2,0,0]=4 2601 B8R0.21 CCCSCS(=O)(=O)N 62a_100000210303_100000741382 [0,1,1,0,0,0|2,0,0]=4 2602 B8R0.21 CCCSCS(=O)(=O)N 62a_100000741382_100000210303 [0,1,1,0,0,0|2,0,0]=4 2603 B8R0.21 CCNCCS(=O)(=O)N 2230a_100000738205_100000210202 [0,1,1,0,0,0|2,0,0]=4 2604 B8R0.21 CCNCCS(=O)(=O)N 34a_100000738205_100000210202 [0,1,1,0,0,0|2,0,0]=4 2605 B8R0.21 CCOCCS(=O)(=O)N 34a_100012334274_100000210202 [0,1,1,0,0,0|2,0,0]=4 2606 B8R0.21 CNCCCS(=O)(=O)N 2230a_106832991635_100000750626 [0,1,1,0,0,0|2,0,0]=4 2607 B8R0.21 CNCCCS(=O)(=O)N 34a_100102657272_100000750626 [0,1,1,0,0,0|2,0,0]=4 2608 B8R0.21 CNCCCS(=O)(=O)N 7a_106832991635_100000750626 [0,1,1,0,0,0|2,0,0]=4 2609 B8R0.21 CNCCNS(=O)(=O)C 2230a_106832991635_100000754112 [0,1,1,0,0,0|2,0,0]=4 2610 B8R0.21 CNCCNS(=O)(=O)C 34a_100000752411_200000210301 [0,1,1,0,0,0|2,0,0]=4 2611 B8R0.21 CNCCNS(=O)(=O)C 7a_106832991635_100000754112 [0,1,1,0,0,0|2,0,0]=4 2612 B8R0.21 COCCCS(=O)(=O)N 34a_100138415774_100000750626 [0,1,1,0,0,0|2,0,0]=4 2613 B8R0.21 COCCNS(=O)(=O)C 40a_100000209980_100000738038 [0,1,1,0,0,0|2,0,0]=4 2614 B8R0.21 CS(=O)(=O)NCCCF 40a_100015189416_100000738038 [0,1,1,0,0,0|2,0,0]=4 2615 B8R0.21 CS(=O)(=O)NCCCO 40a_100000182051_100000738038 [0,1,1,0,0,0|2,0,0]=4 2616 B8R0.21 CS(=O)(=O)NCCN[13CH3] 34a_100000752411_200025704644 [0,1,1,0,0,0|2,0,0]=4 2617 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_100000754112_200025704644 [0,1,1,0,0,0|2,0,0]=4 2618 B8R0.21 CS(=O)(=O)NCCS[13CH3] 62a_200025704644_100000754112 [0,1,1,0,0,0|2,0,0]=4 2619 B8R0.21 CSCCCS(=O)(=O)N 62a_100000750626_200000210301 [0,1,1,0,0,0|2,0,0]=4 2620 B8R0.21 CSCCCS(=O)(=O)N 62a_200000210301_100000750626 [0,1,1,0,0,0|2,0,0]=4 2621 B8R0.21 CSCCNS(=O)(=O)C 40a_100020590264_100000738038 [0,1,1,0,0,0|2,0,0]=4 2622 B8R0.21 CSCCNS(=O)(=O)C 62a_100000754112_200000210301 [0,1,1,0,0,0|2,0,0]=4 2623 B8R0.21 CSCCNS(=O)(=O)C 62a_200000210301_100000754112 [0,1,1,0,0,0|2,0,0]=4 2624 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_100000750626_200025704644 [0,1,1,0,0,0|2,0,0]=4 2625 B8R0.21 [13CH3]SCCCS(=O)(=O)N 62a_200025704644_100000750626 [0,1,1,0,0,0|2,0,0]=4 2626 B8R0.28 C=C(C)CNCC(=O)N 2230a_100000711301_100000748629 [0,1,1,0,0,0|1,0,1]=4 2627 B8R0.28 C=C(C)CNNC(=O)C 22a_100000729518_100000070787 [0,1,1,0,0,0|1,0,1]=4 2628 B8R0.28 C=C(C)COCC(=O)N 34a_100000210245_100000187820 [0,1,1,0,0,0|1,0,1]=4 2629 B8R0.28 C=C(C)CSCC(=O)N 62a_100000747473_100000211660 [0,1,1,0,0,0|1,0,1]=4 2630 B8R0.28 C=C(C)CSCC(=O)N 62a_100000748629_100000747473 [0,1,1,0,0,0|1,0,1]=4 2631 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [0,1,1,0,0,0|1,0,1]=4 2632 B8R0.28 CC(=O)CCCC(=O)N 1458a_100000070787_100102525003 [0,1,1,0,0,0|0,0,1]=3 2633 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [0,1,1,0,0,0|1,0,0]=3 2634 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [0,1,1,0,0,0|1,0,0]=3 2635 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [0,1,1,0,0,0|1,0,0]=3 2636 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [0,1,1,0,0,0|2,0,0]=4 2637 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [0,1,1,0,0,0|2,0,0]=4 2638 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [0,1,1,0,0,0|0,0,1]=3 2639 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [0,1,1,0,0,0|0,0,1]=3 2640 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000070787_200000034859 [0,1,1,0,0,0|1,0,1]=4 2641 B8R0.28 CC(=O)CCNC(=O)N 1458a_100000181464_200000210301 [0,1,1,0,0,0|1,0,1]=4 2642 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [0,1,1,0,0,0|1,0,1]=4 2643 B8R0.28 CC(=O)CCOC(=O)N 1458a_100000070787_200011214921 [0,1,1,0,0,0|1,0,1]=4 2644 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [0,1,1,0,0,0|2,0,0]=4 2645 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [0,1,1,0,0,0|2,0,0]=4 2646 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [0,1,1,0,0,0|2,0,0]=4 2647 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [0,1,1,0,0,0|1,0,1]=4 2648 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [0,1,1,0,0,0|2,0,0]=4 2649 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [0,1,1,0,0,0|2,0,0]=4 2650 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [0,1,1,0,0,0|2,0,0]=4 2651 B8R0.28 CC(=O)COCC(=O)N 1458a_100011219004_200000210301 [0,1,1,0,0,0|1,0,1]=4 2652 B8R0.28 CC(=O)COCC(=O)N 34a_100000211253_100000187820 [0,1,1,0,0,0|1,0,1]=4 2653 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [0,1,1,0,0,0|2,0,0]=4 2654 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [0,1,1,0,0,0|2,0,0]=4 2655 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [0,1,1,0,0,0|2,0,0]=4 2656 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [0,1,1,0,0,0|2,0,0]=4 2657 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [0,1,1,0,0,0|0,0,2]=4 2658 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [0,1,1,0,0,0|0,0,2]=4 2659 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [0,1,1,0,0,0|0,0,2]=4 2660 B8R0.28 CC(=O)NCCC(=O)N 11a_100000740010_100015343762 [0,1,1,0,0,0|1,0,1]=4 2661 B8R0.28 CC(=O)NCCC(=O)N 240690a_100000740010_100015343762 [0,1,1,0,0,0|1,0,1]=4 2662 B8R0.28 CC(=O)NCCC(=O)N 527a_100000740010_100103153847 [0,1,1,0,0,0|1,0,1]=4 2663 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [0,1,1,0,0,0|0,0,1]=3 2664 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [0,1,1,0,0,0|0,0,0]=2 2665 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [0,1,1,0,0,0|0,0,0]=2 2666 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [0,1,1,0,0,0|0,0,0]=2 2667 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [0,1,1,0,0,0|0,0,0]=2 2668 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [0,1,1,0,0,0|0,0,0]=2 2669 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [0,1,1,0,0,0|0,0,0]=2 2670 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [0,1,1,0,0,0|1,0,0]=3 2671 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [0,1,1,0,0,0|1,0,0]=3 2672 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [0,1,1,0,0,0|1,0,0]=3 2673 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [0,1,1,0,0,0|1,0,0]=3 2674 B8R0.28 CC(=O)NN=CC(C)C 4a_100000189765_100000210432 [0,1,1,0,0,0|1,0,1]=4 2675 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [0,1,1,0,0,0|1,0,0]=3 2676 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [0,1,1,0,0,0|1,0,0]=3 2677 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [0,1,1,0,0,0|2,0,0]=4 2678 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [0,1,1,0,0,0|2,0,0]=4 2679 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [0,1,1,0,0,0|2,0,0]=4 2680 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [0,1,1,0,0,0|2,0,0]=4 2681 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [0,1,1,0,0,0|2,0,0]=4 2682 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [0,1,1,0,0,0|1,0,1]=4 2683 B8R0.28 CC(Br)COCC(=O)N 34a_100012180447_100000187820 [0,1,1,0,0,0|1,0,0]=3 2684 B8R0.28 CC(Br)COCC(=O)[O-] 34a_100012180447_100020667443 [0,1,1,0,0,0|2,0,0]=4 2685 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [0,1,1,0,0,0|1,0,0]=3 2686 B8R0.28 CC(C)CCNC(C)C 2230a_100138425928_100000210312 [0,1,1,0,0,0|1,0,1]=4 2687 B8R0.28 CC(C)CCNC(C)C 34a_100138425928_100000210312 [0,1,1,0,0,0|1,0,1]=4 2688 B8R0.28 CC(C)CNCC(=O)N 2230a_100000210953_100000747473 [0,1,1,0,0,0|1,0,0]=3 2689 B8R0.28 CC(C)CNCC(=O)N 2230a_100000711301_100000210760 [0,1,1,0,0,0|1,0,0]=3 2690 B8R0.28 CC(C)CNCC(=O)N 34a_100000210953_100000187820 [0,1,1,0,0,0|1,0,0]=3 2691 B8R0.28 CC(C)CNCC(=O)O 269956a_100016091260_100000210760 [0,1,1,0,0,0|2,0,0]=4 2692 B8R0.28 CC(C)CNCC(=O)[O-] 34a_100000210953_100020667443 [0,1,1,0,0,0|2,0,0]=4 2693 B8R0.28 CC(C)COCC(=O)N 34a_100000210257_100000187820 [0,1,1,0,0,0|1,0,0]=3 2694 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [0,1,1,0,0,0|2,0,0]=4 2695 B8R0.28 CC(C)COCC(=O)[O-] 34a_100000210257_100020667443 [0,1,1,0,0,0|2,0,0]=4 2696 B8R0.28 CC(C)CSCC(=O)N 62a_100000210624_100000747473 [0,1,1,0,0,0|1,0,0]=3 2697 B8R0.28 CC(C)CSCC(=O)N 62a_100000747473_100000210760 [0,1,1,0,0,0|1,0,0]=3 2698 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100000210624_100020667443 [0,1,1,0,0,0|2,0,0]=4 2699 B8R0.28 CC(C)CSCC(=O)[O-] 62a_100020667443_100000210760 [0,1,1,0,0,0|2,0,0]=4 2700 B8R0.28 CC(C)NCCC(=O)N 2230a_100138425928_100000744528 [0,1,1,0,0,0|1,0,0]=3 2701 B8R0.28 CC(C)NCCC(=O)N 34a_100138425928_100000731001 [0,1,1,0,0,0|1,0,0]=3 2702 B8R0.28 CC(C)OCCC(=O)N 34a_100000212225_100000731001 [0,1,1,0,0,0|1,0,0]=3 2703 B8R0.28 CC(C)OCCC(=O)N 34a_100000757172_100000210206 [0,1,1,0,0,0|1,0,0]=3 2704 B8R0.28 CC(C)OCCC(=O)N 7a_100000757172_100000210206 [0,1,1,0,0,0|1,0,0]=3 2705 B8R0.28 CC(C)SCCC(=O)N 62a_100000210206_100000744528 [0,1,1,0,0,0|1,0,0]=3 2706 B8R0.28 CC(C)SCCC(=O)N 62a_100000744528_100000210206 [0,1,1,0,0,0|1,0,0]=3 2707 B8R0.28 CC(F)COCC(=O)N 34a_100015925927_100000187820 [0,1,1,0,0,0|1,0,0]=3 2708 B8R0.28 CC(F)COCC(=O)[O-] 34a_100015925927_100020667443 [0,1,1,0,0,0|2,0,0]=4 2709 B8R0.28 CC(O)CCNC(C)C 2230a_100138425928_100012276601 [0,1,1,0,0,0|1,0,1]=4 2710 B8R0.28 CC(O)CCNC(C)C 2230a_200000755665_100000210206 [0,1,1,0,0,0|1,0,1]=4 2711 B8R0.28 CC(O)CCNC(C)C 34a_100138425928_100012276601 [0,1,1,0,0,0|1,0,1]=4 2712 B8R0.28 CC(O)CNCC(=O)N 2230a_100000210904_100000747473 [0,1,1,0,0,0|1,0,0]=3 2713 B8R0.28 CC(O)CNCC(=O)N 2230a_100000711301_100011218427 [0,1,1,0,0,0|1,0,0]=3 2714 B8R0.28 CC(O)CNCC(=O)N 34a_100000210904_100000187820 [0,1,1,0,0,0|1,0,0]=3 2715 B8R0.28 CC(O)CNCC(=O)O 269956a_100016091260_100011218427 [0,1,1,0,0,0|2,0,0]=4 2716 B8R0.28 CC(O)CNCC(=O)[O-] 34a_100000210904_100020667443 [0,1,1,0,0,0|2,0,0]=4 2717 B8R0.28 CC(O)CSCC(=O)N 62a_100000747473_100011218427 [0,1,1,0,0,0|1,0,0]=3 2718 B8R0.28 CC(O)CSCC(=O)N 62a_100011218427_100000747473 [0,1,1,0,0,0|1,0,0]=3 2719 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100011218427_100020667443 [0,1,1,0,0,0|2,0,0]=4 2720 B8R0.28 CC(O)CSCC(=O)[O-] 62a_100020667443_100011218427 [0,1,1,0,0,0|2,0,0]=4 2721 B8R0.28 CN(C)CCCC(=O)N 269982a_100102631434_100102525003 [0,1,1,0,0,0|1,0,0]=3 2722 B8R0.28 CN(C)CCCC(=O)O 269956a_100000719178_200000210301 [0,1,1,0,0,0|2,0,0]=4 2723 B8R0.28 CN(C)CCNC(=O)N 2230a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 2724 B8R0.28 CN(C)CCNC(=O)N 269982a_100102631434_200000034859 [0,1,1,0,0,0|2,0,0]=4 2725 B8R0.28 CN(C)CCOC(=O)N 269982a_100102631434_200011214921 [0,1,1,0,0,0|2,0,0]=4 2726 B8R0.28 CN([13CH3])CCCC(=O)O 269956a_100000719178_200025704644 [0,1,1,0,0,0|2,0,0]=4 2727 B8R0.28 C[C@@H](Cl)COCC(=O)N 34a_100016084084_100000187820 [0,1,1,0,0,0|1,0,0]=3 2728 B8R0.28 C[C@@H](Cl)COCC(=O)[O-] 34a_100016084084_100020667443 [0,1,1,0,0,0|2,0,0]=4 2729 B8R0.28 C[C@@H](N)COCC(=O)N 34a_100000737577_100000187820 [0,1,1,0,0,0|1,0,0]=3 2730 B8R0.28 C[C@@H](N)COCC(=O)[O-] 34a_100000737577_100020667443 [0,1,1,0,0,0|2,0,0]=4 2731 B8R0.28 C[C@@H](O)CNCC(=O)N 2230a_100000711301_100009817552 [0,1,1,0,0,0|1,0,0]=3 2732 B8R0.28 C[C@@H](O)CNCC(=O)O 269956a_100016091260_100009817552 [0,1,1,0,0,0|2,0,0]=4 2733 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100000747473_100009817552 [0,1,1,0,0,0|1,0,0]=3 2734 B8R0.28 C[C@@H](O)CSCC(=O)N 62a_100009817552_100000747473 [0,1,1,0,0,0|1,0,0]=3 2735 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100009817552_100020667443 [0,1,1,0,0,0|2,0,0]=4 2736 B8R0.28 C[C@@H](O)CSCC(=O)[O-] 62a_100020667443_100009817552 [0,1,1,0,0,0|2,0,0]=4 2737 B8R0.28 NC(=O)CNCC(F)F 2230a_100000711301_100011934356 [0,1,1,0,0,0|2,0,0]=4 2738 B8R0.28 NC(=O)CNCC(F)F 34a_100000765723_100000187820 [0,1,1,0,0,0|2,0,0]=4 2739 B8R0.28 NC(=O)COCC(F)F 34a_100000743014_100000187820 [0,1,1,0,0,0|2,0,0]=4 2740 B8R0.28 NC(=O)CSCC(F)F 62a_100000747473_100011934356 [0,1,1,0,0,0|2,0,0]=4 2741 B8R0.28 NC(=O)CSCC(F)F 62a_100011934356_100000747473 [0,1,1,0,0,0|2,0,0]=4 2742 B8R0.28 [13CH3]C(=O)CCNC(=O)N 1458a_100000181464_200025704644 [0,1,1,0,0,0|1,0,1]=4 2743 B8R0.28 [13CH3]C(=O)COCC(=O)N 1458a_100011219004_200025704644 [0,1,1,0,0,0|1,0,1]=4 2744 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,1,1,0,0,0|1,0,1]=4 2745 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,1,1,0,0,0|1,0,1]=4 2746 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,1,1,0,0,0|0,0,2]=4 2747 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,1,1,0,0,0|0,0,2]=4 2748 B8R0.30 CCCS(=O)(=O)NCC 270084a_100015525214_100000211391 [0,1,1,0,0,0|1,0,0]=3 2749 B8R0.30 CCCS(=O)(=O)NCC 274078a_100015525214_100000211391 [0,1,1,0,0,0|1,0,0]=3 2750 B8R0.30 CCCS(=O)(=O)NCC 40a_100015525214_100000054278 [0,1,1,0,0,0|1,0,0]=3 2751 B8R0.30 CCCS(=O)(=O)NNC 40a_100016993582_100000054278 [0,1,1,0,0,0|2,0,0]=4 2752 B8R0.30 CCNS(=O)(=O)CCBr 270084a_100015525214_100000731045 [0,1,1,0,0,0|2,0,0]=4 2753 B8R0.30 CCNS(=O)(=O)CCBr 274078a_100015525214_100000731045 [0,1,1,0,0,0|2,0,0]=4 2754 B8R0.30 CCNS(=O)(=O)CCCl 270084a_100015525214_100000184613 [0,1,1,0,0,0|2,0,0]=4 2755 B8R0.30 CCNS(=O)(=O)CCCl 274078a_100015525214_100000184613 [0,1,1,0,0,0|2,0,0]=4 2756 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,0,1,0|1,0,1]=4 2757 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,0,1,0|1,0,1]=4 2758 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,0,1,0|1,0,1]=4 2759 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,0,1,0|1,0,1]=4 2760 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,0,1,0|1,0,1]=4 2761 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,0,1,0|0,0,2]=4 2762 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,0,1,0|0,0,2]=4 2763 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,0,1,0|0,0,2]=4 2764 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,0,1,0|0,1,1]=4 2765 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,0,1,0|0,1,1]=4 2766 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,0,1,0|1,0,1]=4 2767 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,0,1,0|1,0,1]=4 2768 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,0,1,0|0,0,2]=4 2769 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,0,1,0|0,0,2]=4 2770 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,0,1,0|0,1,1]=4 2771 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,0,1,0|0,1,1]=4 2772 B8R1.3 C=C1CCN(CC1)C 2230a_100000752442_200000210301 [0,1,0,0,1,0|2,0,0]=4 2773 B8R1.3 C=C1CCN(CC1)C 269982a_100000752442_200000210301 [0,1,0,0,1,0|2,0,0]=4 2774 B8R1.3 C=C1CCN(CC1)C 34a_100000752442_200000210301 [0,1,0,0,1,0|2,0,0]=4 2775 B8R1.3 C=C1CCN(CC1)[13CH3] 2230a_100000752442_200025704644 [0,1,0,0,1,0|2,0,0]=4 2776 B8R1.3 C=C1CCN(CC1)[13CH3] 269982a_100000752442_200025704644 [0,1,0,0,1,0|2,0,0]=4 2777 B8R1.3 C=C1CCN(CC1)[13CH3] 34a_100000752442_200025704644 [0,1,0,0,1,0|2,0,0]=4 2778 B8R1.3 CC1CCN(CC1)C 2230a_100000188429_200000210301 [0,1,0,0,1,0|2,0,0]=4 2779 B8R1.3 CC1CCN(CC1)C 269982a_100000188429_200000210301 [0,1,0,0,1,0|2,0,0]=4 2780 B8R1.3 CC1CCN(CC1)C 34a_100000188429_200000210301 [0,1,0,0,1,0|2,0,0]=4 2781 B8R1.3 CC1CCN(CC1)[13CH3] 2230a_100000188429_200025704644 [0,1,0,0,1,0|2,0,0]=4 2782 B8R1.3 CC1CCN(CC1)[13CH3] 269982a_100000188429_200025704644 [0,1,0,0,1,0|2,0,0]=4 2783 B8R1.3 CC1CCN(CC1)[13CH3] 34a_100000188429_200025704644 [0,1,0,0,1,0|2,0,0]=4 2784 B8R1.3 CN1CCC(CC1)F 2230a_100015193889_200000210301 [0,1,0,0,1,0|2,0,0]=4 2785 B8R1.3 CN1CCC(CC1)F 269982a_100015193889_200000210301 [0,1,0,0,1,0|2,0,0]=4 2786 B8R1.3 CN1CCC(CC1)F 34a_100015193889_200000210301 [0,1,0,0,1,0|2,0,0]=4 2787 B8R1.3 CN1CCC(CC1)O 2230a_100025773856_200000210301 [0,1,0,0,1,0|2,0,0]=4 2788 B8R1.3 CN1CCC(CC1)O 269982a_100025773856_200000210301 [0,1,0,0,1,0|2,0,0]=4 2789 B8R1.3 CN1CCS(=O)CC1 2230a_100000752083_200000210301 [0,1,0,0,1,0|2,0,0]=4 2790 B8R1.3 CN1CCS(=O)CC1 269982a_100000752083_200000210301 [0,1,0,0,1,0|2,0,0]=4 2791 B8R1.3 [13CH3]N1CCC(CC1)F 2230a_100015193889_200025704644 [0,1,0,0,1,0|2,0,0]=4 2792 B8R1.3 [13CH3]N1CCC(CC1)F 269982a_100015193889_200025704644 [0,1,0,0,1,0|2,0,0]=4 2793 B8R1.3 [13CH3]N1CCC(CC1)F 34a_100015193889_200025704644 [0,1,0,0,1,0|2,0,0]=4 2794 B8R1.3 [13CH3]N1CCC(CC1)O 2230a_100025773856_200025704644 [0,1,0,0,1,0|2,0,0]=4 2795 B8R1.3 [13CH3]N1CCC(CC1)O 269982a_100025773856_200025704644 [0,1,0,0,1,0|2,0,0]=4 2796 B8R1.3 [13CH3]N1CCS(=O)CC1 2230a_100000752083_200025704644 [0,1,0,0,1,0|2,0,0]=4 2797 B8R1.3 [13CH3]N1CCS(=O)CC1 269982a_100000752083_200025704644 [0,1,0,0,1,0|2,0,0]=4 2798 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,0,1,0|2,0,0]=4 2799 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,0,1,0|2,0,0]=4 2800 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,0,1,0|2,0,0]=4 2801 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,0,1,0|2,0,0]=4 2802 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,0,1,0|2,0,0]=4 2803 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,1,0,0,1,0|1,0,0]=3 2804 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,1,0,0,1,0|2,0,0]=4 2805 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,0,1,0|2,0,0]=4 2806 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,0,1,0|2,0,0]=4 2807 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,0,1,0|2,0,0]=4 2808 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,0,1,0|2,0,0]=4 2809 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,0,1,0|2,0,0]=4 2810 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,0,1,0|2,0,0]=4 2811 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,0,1,0|2,0,0]=4 2812 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,0,1,0|2,0,0]=4 2813 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,0,1,0|2,0,0]=4 2814 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,0,1,0|2,0,0]=4 2815 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,0,1,0|2,0,0]=4 2816 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,1,0,0,1,0|1,0,0]=3 2817 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,1,0,0,1,0|2,0,0]=4 2818 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,1,0,0,1,0|1,0,1]=4 2819 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,1,0,0,1,0|1,0,1]=4 2820 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,1,0,0,1,0|1,0,1]=4 2821 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,1,0,0,1,0|1,0,1]=4 2822 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,1,0,0,1,0|1,0,1]=4 2823 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,1,0,0,1,0|1,0,1]=4 2824 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,2,0,0,0,0|1,0,0]=3 2825 B10R1.19 CNC1CCCCNC1=O 2230a_100000698827_200000210301 [0,2,0,0,0,0|0,0,0]=2 2826 B10R1.19 CNC1CCCCNC1=O 2230a_106832991635_100000735217 [0,2,0,0,0,0|0,0,0]=2 2827 B10R1.19 CNC1CCCCNC1=O 34a_100000698827_200000210301 [0,2,0,0,0,0|0,0,0]=2 2828 B10R1.19 CNC1CCCCNC1=O 7a_106832991635_100000735217 [0,2,0,0,0,0|0,0,0]=2 2829 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,2,0,0,0,0|1,0,0]=3 2830 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,2,0,0,0,0|1,0,0]=3 2831 B10R1.19 CSC1CCCCNC1=O 62a_100000735217_200000210301 [0,2,0,0,0,0|0,0,0]=2 2832 B10R1.19 CSC1CCCCNC1=O 62a_200000210301_100000735217 [0,2,0,0,0,0|0,0,0]=2 2833 B10R1.19 [13CH3]NC1CCCCNC1=O 2230a_100000698827_200025704644 [0,2,0,0,0,0|0,0,0]=2 2834 B10R1.19 [13CH3]NC1CCCCNC1=O 34a_100000698827_200025704644 [0,2,0,0,0,0|0,0,0]=2 2835 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,2,0,0,0,0|1,0,0]=3 2836 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,2,0,0,0,0|1,0,0]=3 2837 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_100000735217_200025704644 [0,2,0,0,0,0|0,0,0]=2 2838 B10R1.19 [13CH3]SC1CCCCNC1=O 62a_200025704644_100000735217 [0,2,0,0,0,0|0,0,0]=2 2839 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2840 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2841 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,2,0,0,0,0|1,0,0]=3 2842 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2843 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2844 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,2,0,0,0,0|1,0,0]=3 2845 B10R1.332 CN1CCC(=O)N(CC1)C 2230a_100020591582_200000210301 [0,2,0,0,0,0|1,0,0]=3 2846 B10R1.332 CN1CCC(=O)N(CC1)C 269982a_100020591582_200000210301 [0,2,0,0,0,0|1,0,0]=3 2847 B10R1.332 CN1CCC(=O)N(CC1)C 34a_100020591582_200000210301 [0,2,0,0,0,0|1,0,0]=3 2848 B10R1.332 CN1CCN(CCC1=O)[13CH3] 2230a_100020591582_200025704644 [0,2,0,0,0,0|1,0,0]=3 2849 B10R1.332 CN1CCN(CCC1=O)[13CH3] 269982a_100020591582_200025704644 [0,2,0,0,0,0|1,0,0]=3 2850 B10R1.332 CN1CCN(CCC1=O)[13CH3] 34a_100020591582_200025704644 [0,2,0,0,0,0|1,0,0]=3 2851 B10R1.332 C[C@H]1CNC(=O)CCN1C 2230a_102125656889_200000210301 [0,2,0,0,0,0|1,0,0]=3 2852 B10R1.332 C[C@H]1CNC(=O)CCN1C 269982a_102125656889_200000210301 [0,2,0,0,0,0|1,0,0]=3 2853 B10R1.332 C[C@H]1CNC(=O)CCN1C 34a_102125656889_200000210301 [0,2,0,0,0,0|1,0,0]=3 2854 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 2230a_102125656889_200025704644 [0,2,0,0,0,0|1,0,0]=3 2855 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 269982a_102125656889_200025704644 [0,2,0,0,0,0|1,0,0]=3 2856 B10R1.332 C[C@H]1CNC(=O)CCN1[13CH3] 34a_102125656889_200025704644 [0,2,0,0,0,0|1,0,0]=3 2857 B10R1.162 CCN1CCCNC(=O)C1 2230a_100015190381_100000210202 [0,2,0,0,0,0|1,0,0]=3 2858 B10R1.197 CCN1CCNC(=O)CC1 2230a_100000698595_100000210202 [0,2,0,0,0,0|1,0,0]=3 2859 B10R1.197 CCN1CCNC(=O)CC1 269982a_100000698595_100000204670 [0,2,0,0,0,0|1,0,0]=3 2860 B10R1.197 O=C1CCN(CCN1)CF 269982a_100000698595_100015361967 [0,2,0,0,0,0|1,0,0]=3 2861 B10R1.85 O=CCN1CCCCCC1 2230a_100000185865_200015260668 [0,2,0,0,0,0|2,0,0]=4 2862 B10R1.85 O=CCN1CCCCCC1 269982a_100000185865_200015260668 [0,2,0,0,0,0|2,0,0]=4 2863 B10R1.85 O=CCN1CCCCCC1 34a_100000185865_200009817547 [0,2,0,0,0,0|2,0,0]=4 2864 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,2,0,0,0,0|1,0,1]=4 2865 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,2,0,0,0,0|1,0,1]=4 2866 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,2,0,0,0,0|2,0,0]=4 2867 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,2,0,0,0,0|2,0,0]=4 2868 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,2,0,0,0,0|2,0,0]=4 2869 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,2,0,0,0,0|2,0,0]=4 2870 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,2,0,0,0,0|1,0,1]=4 2871 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,1,1,0,0|1,0,1]=4 2872 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,1,1,0,0|1,0,1]=4 2873 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,1,1,0,0|1,0,1]=4 2874 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,1,1,0,0|1,0,1]=4 2875 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,0,1,1,0,0|2,0,0]=4 2876 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,1,1,0,0|1,0,1]=4 2877 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,1,1,0,0|2,0,0]=4 2878 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,1,1,0,0|2,0,0]=4 2879 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,0,1,1,0,0|2,0,0]=4 2880 B8R1.9 O=CCN[C@@H]1C[C@@H]1F 2230a_100015190264_200015260668 [0,0,1,1,0,0|2,0,0]=4 2881 B8R1.9 O=CCN[C@@H]1C[C@H]1F 2230a_100025746932_200015260668 [0,0,1,1,0,0|2,0,0]=4 2882 B8R1.9 O=CCN[C@@H]1C[C@H]1F 34a_100025746932_200009817547 [0,0,1,1,0,0|2,0,0]=4 2883 B8R1.10 CCNCC1CCC1 2230a_100000738700_100000210202 [0,0,1,1,0,0|1,0,1]=4 2884 B8R1.10 CCNCC1CCC1 2230a_100015525214_100000763275 [0,0,1,1,0,0|1,0,1]=4 2885 B8R1.10 CCNCC1CCC1 269862a_100015525214_100000753134 [0,0,1,1,0,0|1,0,1]=4 2886 B8R1.10 CCNCC1CCC1 34a_100000738700_100000210202 [0,0,1,1,0,0|1,0,1]=4 2887 B8R1.10 FCNCC1CCC1 34a_100000738700_100015361967 [0,0,1,1,0,0|1,0,1]=4 2888 B8R1.10 O=CCNC1CCC1 2230a_100000749019_200015260668 [0,0,1,1,0,0|2,0,0]=4 2889 B8R1.10 O=CCNC1CCC1 34a_100000749019_200009817547 [0,0,1,1,0,0|2,0,0]=4 2890 B8R1.10 O=CCOC1CCC1 34a_100000748187_200009817547 [0,0,1,1,0,0|2,0,0]=4 2891 B8R1.10 O=CCSC1CCC1 62a_200015260668_100000749161 [0,0,1,1,0,0|2,0,0]=4 2892 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,1,1,0,0|1,0,1]=4 2893 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,1,1,0,0|1,0,1]=4 2894 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,1,1,0,0|1,0,1]=4 2895 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,1,1,0,0|1,0,1]=4 2896 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,1,1,0,0|1,0,1]=4 2897 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,0,1,1,0,0|2,0,0]=4 2898 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,0,1,1,0,0|2,0,0]=4 2899 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,0,1,1,0,0|2,0,0]=4 2900 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,0,1,1,0,0|1,0,0]=3 2901 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,0,1,1,0,0|1,0,0]=3 2902 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,0,1,1,0,0|2,0,0]=4 2903 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,0,1,1,0,0|2,0,0]=4 2904 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,0,1,1,0,0|2,0,0]=4 2905 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,0,1,1,0,0|2,0,0]=4 2906 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,0,1,1,0,0|2,0,0]=4 2907 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,0,1,1,0,0|2,0,0]=4 2908 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,0,1,1,0,0|2,0,0]=4 2909 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,0,1,1,0,0|2,0,0]=4 2910 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,0,1,1,0,0|2,0,0]=4 2911 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,0,1,1,0,0|1,0,0]=3 2912 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,0,1,1,0,0|2,0,0]=4 2913 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,0,1,1,0,0|2,0,0]=4 2914 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,0,1,1,0,0|2,0,0]=4 2915 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,0,1,1,0,0|2,0,0]=4 2916 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,0,1,1,0,0|1,0,1]=4 2917 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,0,1,1,0,0|1,0,1]=4 2918 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,0,1,1,0,0|1,0,1]=4 2919 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,0,1,1,0,0|1,0,0]=3 2920 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,0,1,1,0,0|1,0,0]=3 2921 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,0,1,1,0,0|2,0,0]=4 2922 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,0,1,1,0,0|2,0,0]=4 2923 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,0,1,1,0,0|2,0,0]=4 2924 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,0,1,1,0,0|2,0,0]=4 2925 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,0,1,1,0,0|1,0,0]=3 2926 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,0,1,1,0,0|2,0,0]=4 2927 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,0,1,1,0,0|2,0,0]=4 2928 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,0,1,1,0,0|2,0,0]=4 2929 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,0,1,1,0,0|2,0,0]=4 2930 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,0,1,1,0,0|2,0,0]=4 2931 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,0,1,1,0,0|2,0,0]=4 2932 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,0,1,1,0,0|2,0,0]=4 2933 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,0,1,1,0,0|2,0,0]=4 2934 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,0,1,1,0,0|2,0,0]=4 2935 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,0,1,1,0,0|2,0,0]=4 2936 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,0,1,1,0,0|2,0,0]=4 2937 B8R1.36 CCNCCC1CC1 2230a_100015525214_100000694398 [0,0,1,1,0,0|1,0,1]=4 2938 B8R1.36 CCNCCC1CC1 34a_100000764129_100000210202 [0,0,1,1,0,0|1,0,1]=4 2939 B8R1.36 FCNCCC1CC1 34a_100000764129_100015361967 [0,0,1,1,0,0|1,0,1]=4 2940 B8R1.36 O=CCNCC1CC1 2230a_100000735609_200015260668 [0,0,1,1,0,0|2,0,0]=4 2941 B8R1.36 O=CCNCC1CC1 34a_100000735609_200009817547 [0,0,1,1,0,0|2,0,0]=4 2942 B8R1.36 O=CCOCC1CC1 34a_100000211283_200009817547 [0,0,1,1,0,0|2,0,0]=4 2943 B8R1.36 O=CCOC[C@@H]1CO1 34a_100000757423_200009817547 [0,0,1,1,0,0|2,0,0]=4 2944 B8R1.36 O=CCSCC1CC1 62a_100000756562_200015260668 [0,0,1,1,0,0|2,0,0]=4 2945 B8R1.36 O=CCSCC1CC1 62a_200015260668_100000742324 [0,0,1,1,0,0|2,0,0]=4 2946 B8R1.36 O=CCSCC1CO1 62a_102125554688_200015260668 [0,0,1,1,0,0|2,0,0]=4 2947 B8R1.36 O=CCSCC1CO1 62a_200015260668_102125554688 [0,0,1,1,0,0|2,0,0]=4 2948 B8R1.36 O=CCSCC1CS1 62a_100000031435_200015260668 [0,0,1,1,0,0|2,0,0]=4 2949 B8R1.36 O=CCSCC1CS1 62a_200015260668_100000031435 [0,0,1,1,0,0|2,0,0]=4 2950 B8R1.36 O=CCSC[C@@H]1CO1 62a_100000745022_200015260668 [0,0,1,1,0,0|2,0,0]=4 2951 B8R1.36 O=CCSC[C@@H]1CO1 62a_200015260668_100000745022 [0,0,1,1,0,0|2,0,0]=4 2952 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,1,1,0,0|1,0,0]=3 2953 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,1,1,0,0|1,0,1]=4 2954 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,1,1,0,0|1,0,0]=3 2955 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,1,1,0,0|2,0,0]=4 2956 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,1,1,0,0|1,0,0]=3 2957 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,1,1,0,0|1,0,0]=3 2958 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,1,1,0,0|2,0,0]=4 2959 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,1,1,0,0|1,0,0]=3 2960 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,0,1,1,0,0|1,0,1]=4 2961 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,0,1,1,0,0|1,0,1]=4 2962 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,0,1,1,0,0|0,0,2]=4 2963 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,0,1,1,0,0|1,0,1]=4 2964 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,0,1,1,0,0|1,0,1]=4 2965 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,1,1,0,0|1,0,0]=3 2966 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,1,1,0,0|1,0,0]=3 2967 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,0,1,1,0,0|2,0,0]=4 2968 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,1,1,0,0|2,0,0]=4 2969 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,1,1,0,0|2,0,0]=4 2970 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,0,1,1,0,0|0,0,0]=2 2971 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,0,1,1,0,0|0,0,0]=2 2972 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,0,1,1,0,0|0,0,0]=2 2973 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,0,1,1,0,0|1,0,1]=4 2974 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,0,1,1,0,0|0,0,0]=2 2975 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,0,1,1,0,0|0,0,0]=2 2976 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,0,1,1,0,0|0,0,0]=2 2977 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,0,1,1,0,0|0,0,0]=2 2978 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,0,1,1,0,0|1,0,0]=3 2979 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,0,1,1,0,0|1,0,0]=3 2980 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,0,1,1,0,0|1,0,0]=3 2981 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,0,1,1,0,0|1,0,0]=3 2982 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,1,1,0,0|1,0,0]=3 2983 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,1,1,0,0|1,0,0]=3 2984 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,1,1,0,0|1,0,0]=3 2985 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,1,1,0,0|1,0,0]=3 2986 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,0,1,1,0,0|1,0,0]=3 2987 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,0,1,1,0,0|1,0,0]=3 2988 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,0,1,1,0,0|1,0,1]=4 2989 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,0,1,1,0,0|1,0,1]=4 2990 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,0,1,1,0,0|1,0,1]=4 2991 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,0,1,1,0,0|2,0,0]=4 2992 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,1,1,0,0|2,0,0]=4 2993 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,0,1,1,0,0|1,0,0]=3 2994 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,0,1,1,0,0|1,0,0]=3 2995 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [0,0,1,1,0,0|1,0,1]=4 2996 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [0,0,1,1,0,0|1,0,1]=4 2997 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [0,0,1,1,0,0|0,0,2]=4 2998 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [0,0,1,1,0,0|0,0,2]=4 2999 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [0,0,1,1,0,0|1,0,0]=3 3000 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [0,0,1,1,0,0|1,0,0]=3 3001 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [0,0,1,1,0,0|2,0,0]=4 3002 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [0,0,1,1,0,0|2,0,0]=4 3003 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [0,0,1,1,0,0|2,0,0]=4 3004 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [0,0,1,1,0,0|0,0,0]=2 3005 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [0,0,1,1,0,0|0,0,0]=2 3006 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [0,0,1,1,0,0|0,0,0]=2 3007 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,0,1,1,0,0|1,0,1]=4 3008 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [0,0,1,1,0,0|0,0,0]=2 3009 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [0,0,1,1,0,0|0,0,0]=2 3010 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [0,0,1,1,0,0|0,0,0]=2 3011 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [0,0,1,1,0,0|0,0,0]=2 3012 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [0,0,1,1,0,0|1,0,0]=3 3013 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [0,0,1,1,0,0|1,0,0]=3 3014 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [0,0,1,1,0,0|1,0,0]=3 3015 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [0,0,1,1,0,0|1,0,0]=3 3016 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [0,0,1,1,0,0|1,0,0]=3 3017 B8R1.40 CNC(C)CC1CC1 270004a_106832991635_200000686933 [0,0,1,1,0,0|1,0,1]=4 3018 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [0,0,1,1,0,0|2,0,0]=4 3019 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [0,0,1,1,0,0|2,0,0]=4 3020 B8R1.40 O=C(CO)NC1CC1 240690a_100000212008_100000210174 [0,0,1,1,0,0|1,0,0]=3 3021 B8R1.40 O=C(CO)NC1CC1 527a_100000212008_100000210174 [0,0,1,1,0,0|1,0,0]=3 3022 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,0,1,1,0,0|1,0,1]=4 3023 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,1,1,0,0|1,0,1]=4 3024 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,1,1,0,0|1,0,1]=4 3025 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,1,1,0,0|1,0,1]=4 3026 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,1,1,0,0|1,0,1]=4 3027 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,1,1,0,0|1,0,1]=4 3028 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,1,1,0,0|1,0,1]=4 3029 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [0,0,1,1,0,0|2,0,0]=4 3030 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,1,1,0,0|1,0,0]=3 3031 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,1,1,0,0|2,0,0]=4 3032 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [0,0,1,1,0,0|0,0,0]=2 3033 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [0,0,1,1,0,0|0,0,0]=2 3034 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [0,0,1,1,0,0|0,0,0]=2 3035 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [0,0,1,1,0,0|1,0,0]=3 3036 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [0,0,1,1,0,0|1,0,0]=3 3037 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [0,0,1,1,0,0|1,0,0]=3 3038 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [0,0,1,1,0,0|2,0,0]=4 3039 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [0,0,1,1,0,0|2,0,0]=4 3040 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [0,0,1,1,0,0|2,0,0]=4 3041 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [0,0,1,1,0,0|2,0,0]=4 3042 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [0,0,1,1,0,0|2,0,0]=4 3043 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [0,0,1,1,0,0|2,0,0]=4 3044 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [0,0,1,1,0,0|2,0,0]=4 3045 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [0,0,1,1,0,0|2,0,0]=4 3046 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [0,0,1,1,0,0|2,0,0]=4 3047 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [0,0,1,1,0,0|2,0,0]=4 3048 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [0,0,1,1,0,0|2,0,0]=4 3049 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,0,1,1,0,0|1,0,1]=4 3050 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,0,1,1,0,0|1,0,0]=3 3051 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,0,1,1,0,0|1,0,0]=3 3052 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,0,1,1,0,0|2,0,0]=4 3053 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,0,1,1,0,0|2,0,0]=4 3054 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,0,1,1,0,0|2,0,0]=4 3055 B8R1.7 CC(=O)N1CC=CC1 1626a_100015195280_100015343762 [0,0,1,1,0,0|0,0,2]=4 3056 B8R1.7 CC(=O)N1CC=CC1 240690a_100015195280_100015343762 [0,0,1,1,0,0|0,0,2]=4 3057 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,0,1,1,0,0|0,0,0]=2 3058 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,0,1,1,0,0|0,0,0]=2 3059 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,0,1,1,0,0|1,0,0]=3 3060 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,0,1,1,0,0|1,0,0]=3 3061 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,0,1,1,0,0|1,0,0]=3 3062 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,0,1,1,0,0|2,0,0]=4 3063 B8R1.7 CC(C)N1CCCC1 2230a_100000188435_100000210206 [0,0,1,1,0,0|1,0,1]=4 3064 B8R1.7 CC(C)N1CCCC1 269982a_100000188435_100000210206 [0,0,1,1,0,0|1,0,1]=4 3065 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,0,1,1,0,0|1,0,1]=4 3066 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,0,1,1,0,0|1,0,0]=3 3067 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,0,1,1,0,0|2,0,0]=4 3068 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,0,1,1,0,0|2,0,0]=4 3069 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,0,1,1,0,0|2,0,0]=4 3070 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,1,1,0,0|1,0,0]=3 3071 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,1,1,0,0|1,0,0]=3 3072 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,1,1,0,0|1,0,0]=3 3073 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,1,1,0,0|1,0,0]=3 3074 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,1,1,0,0|1,0,0]=3 3075 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,1,1,0,0|1,0,0]=3 3076 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,1,1,0,0|0,0,0]=2 3077 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,1,1,0,0|0,0,0]=2 3078 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,1,1,0,0|0,0,0]=2 3079 B8R1.31 CC(C)N1CCC1C 269982a_100000755817_100000210206 [0,0,1,1,0,0|1,0,1]=4 3080 B8R1.31 CC(C)N1CCC1C 34a_100000755817_100000210206 [0,0,1,1,0,0|1,0,1]=4 3081 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,1,1,0,0|2,0,0]=4 3082 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,1,1,0,0|2,0,0]=4 3083 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,1,1,0,0|1,0,1]=4 3084 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,1,1,0,0|1,0,0]=3 3085 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,1,1,0,0|1,0,0]=3 3086 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,1,1,0,0|2,0,0]=4 3087 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,1,1,0,0|2,0,0]=4 3088 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,1,1,0,0|2,0,0]=4 3089 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,1,1,0,0|0,0,0]=2 3090 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,1,1,0,0|0,0,0]=2 3091 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,1,1,0,0|0,0,0]=2 3092 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,1,1,0,0|0,0,0]=2 3093 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,1,1,0,0|1,0,0]=3 3094 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,1,1,0,0|1,0,0]=3 3095 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,1,1,0,0|1,0,0]=3 3096 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,1,1,0,0|1,0,0]=3 3097 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,1,1,0,0|1,0,0]=3 3098 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,1,1,0,0|1,0,0]=3 3099 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,1,1,0,0|1,0,0]=3 3100 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,1,1,0,0|1,0,0]=3 3101 B8R1.34 CC(C)NC1CCC1 2230a_100000749019_100000210206 [0,0,1,1,0,0|1,0,1]=4 3102 B8R1.34 CC(C)NC1CCC1 34a_100000749019_100000210206 [0,0,1,1,0,0|1,0,1]=4 3103 B8R1.34 CC(C)NC1CCC1 34a_100138425928_100000749161 [0,0,1,1,0,0|1,0,1]=4 3104 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,1,1,0,0|1,0,0]=3 3105 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,1,1,0,0|2,0,0]=4 3106 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,1,1,0,0|1,0,1]=4 3107 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,1,1,0,0|1,0,0]=3 3108 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,1,1,0,0|2,0,0]=4 3109 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [0,0,1,1,0,0|1,0,1]=4 3110 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [0,0,1,1,0,0|1,0,0]=3 3111 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [0,0,1,1,0,0|1,0,0]=3 3112 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [0,0,1,1,0,0|2,0,0]=4 3113 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [0,0,1,1,0,0|2,0,0]=4 3114 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [0,0,1,1,0,0|0,0,0]=2 3115 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [0,0,1,1,0,0|0,0,0]=2 3116 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [0,0,1,1,0,0|0,0,0]=2 3117 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [0,0,1,1,0,0|0,0,0]=2 3118 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [0,0,1,1,0,0|1,0,0]=3 3119 B8R1.35 CC(C)NCC1CC1 2230a_100000735609_100000210206 [0,0,1,1,0,0|1,0,1]=4 3120 B8R1.35 CC(C)NCC1CC1 2230a_100138425928_100000742324 [0,0,1,1,0,0|1,0,1]=4 3121 B8R1.35 CC(C)NCC1CC1 34a_100000735609_100000210206 [0,0,1,1,0,0|1,0,1]=4 3122 B8R1.35 CC(C)NCC1CC1 34a_100138425928_100000742324 [0,0,1,1,0,0|1,0,1]=4 3123 B8R1.35 NC(=O)CNC1CC1 34a_100000212008_100000187820 [0,0,1,1,0,0|1,0,0]=3 3124 B8R1.35 NC(=O)CSC1CC1 62a_100000747473_100000211595 [0,0,1,1,0,0|1,0,0]=3 3125 B8R1.35 O=C(O)CNC1CC1 269956a_100016091260_100000211595 [0,0,1,1,0,0|2,0,0]=4 3126 B8R1.35 O=C([O-])CNC1CC1 34a_100000212008_100020667443 [0,0,1,1,0,0|2,0,0]=4 3127 B8R1.35 O=C([O-])CSC1CC1 62a_100020667443_100000211595 [0,0,1,1,0,0|2,0,0]=4 3128 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [0,0,1,1,0,0|1,0,1]=4 3129 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [0,0,1,1,0,0|1,0,0]=3 3130 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,1,1,0,0|1,0,0]=3 3131 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,1,1,0,0|1,0,0]=3 3132 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [0,0,1,1,0,0|1,0,0]=3 3133 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [0,0,1,1,0,0|2,0,0]=4 3134 B8R1.37 CCNC(=O)C1CC1 11a_100015525214_100000210395 [0,0,1,1,0,0|0,0,0]=2 3135 B8R1.37 CCNC(=O)C1CC1 240690a_100015525214_100000210395 [0,0,1,1,0,0|0,0,0]=2 3136 B8R1.37 CCNC(=O)C1CC1 527a_100015525214_100000210395 [0,0,1,1,0,0|0,0,0]=2 3137 B8R1.37 CCNC(=O)C1CO1 11a_100015525214_100000701028 [0,0,1,1,0,0|1,0,0]=3 3138 B8R1.37 CCNC(=O)C1CO1 240690a_100015525214_100000701028 [0,0,1,1,0,0|1,0,0]=3 3139 B8R1.37 CCNC(=O)C1CO1 527a_100015525214_100000701028 [0,0,1,1,0,0|1,0,0]=3 3140 B8R1.37 CCNC(C)C1CC1 2230a_100000700016_100000210202 [0,0,1,1,0,0|1,0,1]=4 3141 B8R1.37 CCNC(C)C1CC1 269862a_100015525214_100000210639 [0,0,1,1,0,0|1,0,1]=4 3142 B8R1.37 CCNC(C)C1CC1 34a_100000700016_100000210202 [0,0,1,1,0,0|1,0,1]=4 3143 B8R1.37 CNCC(=O)C1CC1 2230a_106832991635_100000746382 [0,0,1,1,0,0|2,0,0]=4 3144 B8R1.37 CNCC(=O)C1CC1 34a_100102657272_100000746382 [0,0,1,1,0,0|2,0,0]=4 3145 B8R1.37 CNCC(=O)C1CC1 7a_106832991635_100000746382 [0,0,1,1,0,0|2,0,0]=4 3146 B8R1.37 CNNC(=O)C1CC1 22a_100016993582_100000210395 [0,0,1,1,0,0|1,0,0]=3 3147 B8R1.37 CNNC(=O)C1CO1 22a_100016993582_100000701028 [0,0,1,1,0,0|2,0,0]=4 3148 B8R1.37 COCC(=O)C1CC1 34a_100000686663_200000210301 [0,0,1,1,0,0|2,0,0]=4 3149 B8R1.37 COCC(=O)C1CC1 34a_100138415774_100000746382 [0,0,1,1,0,0|2,0,0]=4 3150 B8R1.37 CSCC(=O)C1CC1 62a_100000746382_200000210301 [0,0,1,1,0,0|2,0,0]=4 3151 B8R1.37 CSCC(=O)C1CC1 62a_200000210301_100000746382 [0,0,1,1,0,0|2,0,0]=4 3152 B8R1.37 O=C(CCF)C1CC1 1458a_100000210395_100011217306 [0,0,1,1,0,0|2,0,0]=4 3153 B8R1.37 O=C(CCO)C1CC1 1458a_100000210395_100000211926 [0,0,1,1,0,0|2,0,0]=4 3154 B8R1.37 [13CH3]OCC(=O)C1CC1 34a_100000686663_200025704644 [0,0,1,1,0,0|2,0,0]=4 3155 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_100000746382_200025704644 [0,0,1,1,0,0|2,0,0]=4 3156 B8R1.37 [13CH3]SCC(=O)C1CC1 62a_200025704644_100000746382 [0,0,1,1,0,0|2,0,0]=4 3157 B8R1.66 CCNC1(CCC1)C 2230a_100000692455_100000210202 [0,0,1,1,0,0|1,0,1]=4 3158 B8R1.66 CCNC1(CCC1)C 34a_100000692455_100000210202 [0,0,1,1,0,0|1,0,1]=4 3159 B8R2.18 CN1CC2CC2C1 2230a_100000741873_200000210301 [0,0,0,1,1,0|2,0,0]=4 3160 B8R2.18 CN1CC2CC2C1 269982a_100000741873_200000210301 [0,0,0,1,1,0|2,0,0]=4 3161 B8R2.18 CN1CC2CC2C1 34a_100000741873_200000210301 [0,0,0,1,1,0|2,0,0]=4 3162 B8R2.18 [13CH3]N1CC2CC2C1 2230a_100000741873_200025704644 [0,0,0,1,1,0|2,0,0]=4 3163 B8R2.18 [13CH3]N1CC2CC2C1 269982a_100000741873_200025704644 [0,0,0,1,1,0|2,0,0]=4 3164 B8R2.18 [13CH3]N1CC2CC2C1 34a_100000741873_200025704644 [0,0,0,1,1,0|2,0,0]=4 3165 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,0,2,0|2,0,0]=4 3166 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,0,2,0|2,0,0]=4 3167 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,0,2,0|2,0,0]=4 3168 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,0,2,0|2,0,0]=4