0 B6R0.6 C#CCNCC#C 34a_100000212058_100000184674 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 C#CCNCC=C 2230a_100020586998_100000038162 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCC=C 34a_100000212058_100015514636 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.6 C#CCNCC=O 34a_100000212058_200009817547 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C#CCNCCC 34a_100000212058_100000210303 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 C#CCNCCF 34a_100000212058_100011217306 [0,0,0,0,0,0|1,1,1]=3 6 B6R0.6 C#CCNCCF 34a_100000724931_100000184674 [0,0,0,0,0,0|1,1,1]=3 7 B6R0.6 C#CCNCCO 2230a_100016997473_100000038162 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C#CCNCCO 34a_100000212058_100000211926 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C#CCNCCO 34a_100016990907_100000184674 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 C#CCNCSC 34a_100000212058_100011218213 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.6 C#CCOCCBr 34a_100000211926_100000184674 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.6 C#CCOCCC 34a_100000210247_100000210303 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 C#CCOCCC 34a_100000210258_100000184674 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 C#CCOCCF 34a_100000210247_100011217306 [0,0,0,0,0,0|2,1,1]=4 15 B6R0.6 C#CCOCCN 34a_100000210304_100000184674 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 C#CCOCCO 34a_100000210247_100000211926 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 C#CCSCCC 62a_100000038162_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C#CCSCCF 62a_100000038162_100011217306 [0,0,0,0,0,0|2,1,1]=4 19 B6R0.6 C#CCSCCO 62a_100000038162_100000211926 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C=CCNCC#N 2230a_100020586998_100011215382 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 C=CCNCC=C 2230a_100020586998_100000210623 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 C=CCNCC=O 2230a_100020586998_200015260668 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.6 C=CCNCCC 2230a_100020586998_100000210303 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 C=CCNCCF 2230a_100020586998_100011217306 [0,0,0,0,0,0|1,1,1]=3 25 B6R0.6 C=CCNCCF 34a_100000724931_100015514636 [0,0,0,0,0,0|1,1,1]=3 26 B6R0.6 C=CCNCCO 2230a_100016997473_100000210623 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 C=CCNCCO 2230a_100020586998_100000211926 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.6 C=CCNCCO 34a_100016990907_100015514636 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.6 C=CCNCOC 2230a_100020586998_100000766300 [0,0,0,0,0,0|3,0,1]=4 30 B6R0.6 C=CCNCSC 2230a_100020586998_100011218213 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.6 C=CCOCCBr 34a_100000211926_100015514636 [0,0,0,0,0,0|2,1,1]=4 32 B6R0.6 C=CCOCCC 34a_100000210258_100015514636 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.6 C=CCOCCC 34a_200000210373_100000210303 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C=CCOCCF 34a_200000210373_100011217306 [0,0,0,0,0,0|2,1,1]=4 35 B6R0.6 C=CCOCCN 34a_100000210304_100015514636 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.6 C=CCOCCO 34a_200000210373_100000211926 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.6 C=CCSCCC 62a_100000210303_100000210623 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.6 C=CCSCCC 62a_100000210623_100000210303 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.6 C=CCSCCF 62a_100000210623_100011217306 [0,0,0,0,0,0|2,1,1]=4 40 B6R0.6 C=CCSCCF 62a_100011217306_100000210623 [0,0,0,0,0,0|2,1,1]=4 41 B6R0.6 C=CCSCCO 62a_100000210623_100000211926 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.6 C=CCSCCO 62a_100000211926_100000210623 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.6 CC=NNCCO 4a_100000210001_200000210099 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [0,0,0,0,0,0|4,0,0]=4 46 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [0,0,0,0,0,0|4,0,0]=4 47 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [0,0,0,0,0,0|4,0,0]=4 55 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [0,0,0,0,0,0|4,0,0]=4 56 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [0,0,0,0,0,0|4,0,0]=4 59 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [0,0,0,0,0,0|4,0,0]=4 62 B6R0.6 CCCCNCF 7a_106832991798_100015361967 [0,0,0,0,0,0|3,1,0]=4 63 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [0,0,0,0,0,0|4,0,0]=4 65 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [0,0,0,0,0,0|4,0,0]=4 66 B6R0.6 CCCCOCF 34a_100000210227_100015361967 [0,0,0,0,0,0|3,1,0]=4 67 B6R0.6 CCCCOCF 7a_100000210227_100015361967 [0,0,0,0,0,0|3,1,0]=4 68 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [0,0,0,0,0,0|4,0,0]=4 69 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.6 CCCCSCF 62a_100000210211_100015361967 [0,0,0,0,0,0|3,1,0]=4 71 B6R0.6 CCCCSCF 62a_100015361967_100000210210 [0,0,0,0,0,0|3,1,0]=4 72 B6R0.6 CCCNCCF 34a_100000724931_100000210303 [0,0,0,0,0,0|1,1,0]=2 73 B6R0.6 CCCNCCO 2230a_100016997473_100000210303 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.6 CCCNCCO 34a_100016990907_100000210303 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.6 CCCOCCBr 34a_100000211926_100000210303 [0,0,0,0,0,0|2,1,0]=3 77 B6R0.6 CCCOCCC 34a_100000210258_100000210303 [0,0,0,0,0,0|3,0,0]=3 78 B6R0.6 CCCOCCF 34a_100000210258_100011217306 [0,0,0,0,0,0|2,1,0]=3 79 B6R0.6 CCCOCCN 34a_100000210304_100000210303 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.6 CCCOCCO 34a_100000210258_100000211926 [0,0,0,0,0,0|3,0,0]=3 81 B6R0.6 CCCOCSC 34a_100000210258_100011218213 [0,0,0,0,0,0|4,0,0]=4 82 B6R0.6 CCCSCC#N 62a_100000210303_100011215382 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.6 CCCSCC#N 62a_100011215382_100000210303 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.6 CCCSCCC 62a_100000210303_100000210303 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.6 CCCSCCF 62a_100000210303_100011217306 [0,0,0,0,0,0|2,1,0]=3 88 B6R0.6 CCCSCCF 62a_100011217306_100000210303 [0,0,0,0,0,0|2,1,0]=3 89 B6R0.6 CCCSCCO 62a_100000210303_100000211926 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.6 CCCSCCO 62a_100000211926_100000210303 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.6 CCCSCOC 62a_100000210303_100000766300 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.6 CCCSCOC 62a_100000766300_100000210303 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.6 CCCSCSC 62a_100000210303_100011218213 [0,0,0,0,0,0|4,0,0]=4 94 B6R0.6 CCCSCSC 62a_100011218213_100000210303 [0,0,0,0,0,0|4,0,0]=4 95 B6R0.6 CCNCCCF 2230a_100015189416_100000210202 [0,0,0,0,0,0|3,1,0]=4 96 B6R0.6 CCNCCCF 2230a_100015525214_100011934791 [0,0,0,0,0,0|3,1,0]=4 97 B6R0.6 CCNCCCF 34a_100015189416_100000210202 [0,0,0,0,0,0|3,1,0]=4 98 B6R0.6 CCNCCCO 2230a_100015525214_100000230001 [0,0,0,0,0,0|4,0,0]=4 99 B6R0.6 CCOCCCBr 34a_100011217188_100000210202 [0,0,0,0,0,0|3,1,0]=4 100 B6R0.6 CCOCCCCl 34a_100000230001_100000210202 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.6 CCOCCCF 34a_100000759539_100000210202 [0,0,0,0,0,0|3,1,0]=4 102 B6R0.6 CCOCCCF 34a_100121572206_100011934791 [0,0,0,0,0,0|3,1,0]=4 103 B6R0.6 CCOCCCN 34a_100000182051_100000210202 [0,0,0,0,0,0|4,0,0]=4 104 B6R0.6 CCOCCCO 34a_100121572206_100000230001 [0,0,0,0,0,0|4,0,0]=4 105 B6R0.6 CCSCCCF 62a_100000210202_100011934791 [0,0,0,0,0,0|3,1,0]=4 106 B6R0.6 CCSCCCF 62a_100011934791_100000210202 [0,0,0,0,0,0|3,1,0]=4 107 B6R0.6 CCSCCCO 62a_100000210202_100011215043 [0,0,0,0,0,0|4,0,0]=4 108 B6R0.6 CCSCCCO 62a_100011215043_100000210202 [0,0,0,0,0,0|4,0,0]=4 109 B6R0.6 CNCCCCF 2230a_106832991635_100000729493 [0,0,0,0,0,0|3,1,0]=4 110 B6R0.6 CNCCCCF 34a_100102657272_100000729493 [0,0,0,0,0,0|3,1,0]=4 111 B6R0.6 CNCCCCF 7a_106832991635_100000729493 [0,0,0,0,0,0|3,1,0]=4 112 B6R0.6 CNCCCCO 2230a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 113 B6R0.6 CNCCCCO 2230a_106832991635_100000210776 [0,0,0,0,0,0|4,0,0]=4 114 B6R0.6 CNCCCCO 34a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 115 B6R0.6 CNCCCCO 34a_100102657272_100011216708 [0,0,0,0,0,0|4,0,0]=4 116 B6R0.6 CNCCCCO 7a_106832991635_100000210776 [0,0,0,0,0,0|4,0,0]=4 117 B6R0.6 COCC#CCCl 34a_200000047223_200000210301 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.6 COCCCCBr 34a_100011216708_200000210301 [0,0,0,0,0,0|3,1,0]=4 119 B6R0.6 COCCCCCl 34a_100000210776_200000210301 [0,0,0,0,0,0|3,0,0]=3 120 B6R0.6 COCCCCCl 7a_100000210776_200000210301 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.6 COCCCCF 34a_100011995726_200000210301 [0,0,0,0,0,0|3,1,0]=4 122 B6R0.6 COCCCCF 34a_100138415774_100000729493 [0,0,0,0,0,0|3,1,0]=4 123 B6R0.6 COCCCCF 7a_100011995726_200000210301 [0,0,0,0,0,0|3,1,0]=4 124 B6R0.6 COCCCCI 34a_200012148704_200000210301 [0,0,0,0,0,0|3,1,0]=4 125 B6R0.6 COCCCCN 34a_100000750430_200000210301 [0,0,0,0,0,0|4,0,0]=4 126 B6R0.6 COCCCCO 34a_100138415774_100011216708 [0,0,0,0,0,0|4,0,0]=4 127 B6R0.6 COCNCCO 2230a_100016997473_100000766300 [0,0,0,0,0,0|3,0,0]=3 128 B6R0.6 COCSCCF 62a_100000766300_100011217306 [0,0,0,0,0,0|3,1,0]=4 129 B6R0.6 COCSCCF 62a_100011217306_100000766300 [0,0,0,0,0,0|3,1,0]=4 130 B6R0.6 COCSCCO 62a_100000211926_100000766300 [0,0,0,0,0,0|4,0,0]=4 131 B6R0.6 COCSCCO 62a_100000766300_100000211926 [0,0,0,0,0,0|4,0,0]=4 132 B6R0.6 CSCCCCF 62a_100000729493_200000210301 [0,0,0,0,0,0|3,1,0]=4 133 B6R0.6 CSCCCCF 62a_200000210301_100000729493 [0,0,0,0,0,0|3,1,0]=4 134 B6R0.6 CSCCCCO 62a_100000210776_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B6R0.6 CSCCCCO 62a_200000210301_100000210776 [0,0,0,0,0,0|4,0,0]=4 136 B6R0.6 CSCNCCF 34a_100000724931_100011218213 [0,0,0,0,0,0|2,1,0]=3 137 B6R0.6 CSCNCCO 2230a_100016997473_100011218213 [0,0,0,0,0,0|3,0,0]=3 138 B6R0.6 CSCNCCO 34a_100016990907_100011218213 [0,0,0,0,0,0|3,0,0]=3 139 B6R0.6 CSCOCCBr 34a_100000211926_100011218213 [0,0,0,0,0,0|3,1,0]=4 140 B6R0.6 CSCOCCN 34a_100000210304_100011218213 [0,0,0,0,0,0|4,0,0]=4 141 B6R0.6 CSCSCCF 62a_100011217306_100011218213 [0,0,0,0,0,0|3,1,0]=4 142 B6R0.6 CSCSCCF 62a_100011218213_100011217306 [0,0,0,0,0,0|3,1,0]=4 143 B6R0.6 CSCSCCO 62a_100000211926_100011218213 [0,0,0,0,0,0|4,0,0]=4 144 B6R0.6 CSCSCCO 62a_100011218213_100000211926 [0,0,0,0,0,0|4,0,0]=4 145 B6R0.6 FCCCNCF 34a_100015189416_100015361967 [0,0,0,0,0,0|2,2,0]=4 146 B6R0.6 FCCCOCF 34a_100000759539_100015361967 [0,0,0,0,0,0|2,2,0]=4 147 B6R0.6 FCCCSCF 62a_100011934791_100015361967 [0,0,0,0,0,0|2,2,0]=4 148 B6R0.6 FCCCSCF 62a_100015361967_100011934791 [0,0,0,0,0,0|2,2,0]=4 149 B6R0.6 FCCNCCF 34a_100000724931_100011217306 [0,0,0,0,0,0|0,2,0]=2 150 B6R0.6 FCCOCCBr 34a_100000211926_100011217306 [0,0,0,0,0,0|1,2,0]=3 151 B6R0.6 FCCSCCF 62a_100011217306_100011217306 [0,0,0,0,0,0|1,2,0]=3 152 B6R0.6 FCOCCCBr 34a_100011217188_100015361967 [0,0,0,0,0,0|2,2,0]=4 153 B6R0.6 FCOCCCCl 34a_100000230001_100015361967 [0,0,0,0,0,0|2,1,0]=3 154 B6R0.6 N#CCNCCO 2230a_100016997473_100011215382 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.6 N#CCSCCF 62a_100011215382_100011217306 [0,0,0,0,0,0|2,1,1]=4 156 B6R0.6 N#CCSCCF 62a_100011217306_100011215382 [0,0,0,0,0,0|2,1,1]=4 157 B6R0.6 N#CCSCCO 62a_100000211926_100011215382 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.6 N#CCSCCO 62a_100011215382_100000211926 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.6 NCCCOCF 34a_100000182051_100015361967 [0,0,0,0,0,0|3,1,0]=4 160 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [0,0,0,0,0,0|3,0,1]=4 161 B6R0.6 NCCOCCF 34a_100000210304_100011217306 [0,0,0,0,0,0|2,1,0]=3 162 B6R0.6 NCCOCCO 34a_100000210304_100000211926 [0,0,0,0,0,0|3,0,0]=3 163 B6R0.6 O=CCNCCF 34a_100000724931_200009817547 [0,0,0,0,0,0|1,1,1]=3 164 B6R0.6 O=CCNCCO 2230a_100016997473_200015260668 [0,0,0,0,0,0|2,0,1]=3 165 B6R0.6 O=CCNCCO 34a_100016990907_200009817547 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.6 O=CCOCCBr 34a_100000211926_200009817547 [0,0,0,0,0,0|2,1,1]=4 167 B6R0.6 O=CCSCCF 62a_100011217306_200015260668 [0,0,0,0,0,0|2,1,1]=4 168 B6R0.6 O=CCSCCF 62a_200015260668_100011217306 [0,0,0,0,0,0|2,1,1]=4 169 B6R0.6 O=CCSCCO 62a_100000211926_200015260668 [0,0,0,0,0,0|3,0,1]=4 170 B6R0.6 O=CCSCCO 62a_200015260668_100000211926 [0,0,0,0,0,0|3,0,1]=4 171 B6R0.6 OCCCSCF 62a_100011215043_100015361967 [0,0,0,0,0,0|3,1,0]=4 172 B6R0.6 OCCCSCF 62a_100015361967_100011215043 [0,0,0,0,0,0|3,1,0]=4 173 B6R0.6 OCCNCCF 2230a_100016997473_100011217306 [0,0,0,0,0,0|1,1,0]=2 174 B6R0.6 OCCNCCF 34a_100000724931_100000211926 [0,0,0,0,0,0|1,1,0]=2 175 B6R0.6 OCCNCCF 34a_100016990907_100011217306 [0,0,0,0,0,0|1,1,0]=2 176 B6R0.6 OCCNCCO 2230a_100016997473_100000211926 [0,0,0,0,0,0|2,0,0]=2 177 B6R0.6 OCCNCCO 34a_100016990907_100000211926 [0,0,0,0,0,0|2,0,0]=2 178 B6R0.6 OCCOCCBr 34a_100000211926_100000211926 [0,0,0,0,0,0|2,1,0]=3 179 B6R0.6 OCCSCCF 62a_100000211926_100011217306 [0,0,0,0,0,0|2,1,0]=3 180 B6R0.6 OCCSCCF 62a_100011217306_100000211926 [0,0,0,0,0,0|2,1,0]=3 181 B6R0.6 OCCSCCO 62a_100000211926_100000211926 [0,0,0,0,0,0|3,0,0]=3 182 B6R0.6 [13CH3]NCCCCO 2230a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 183 B6R0.6 [13CH3]NCCCCO 34a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 184 B6R0.6 [13CH3]OCC#CCCl 34a_200000047223_200025704644 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.6 [13CH3]OCCCCBr 34a_100011216708_200025704644 [0,0,0,0,0,0|3,1,0]=4 186 B6R0.6 [13CH3]OCCCCCl 34a_100000210776_200025704644 [0,0,0,0,0,0|3,0,0]=3 187 B6R0.6 [13CH3]OCCCCCl 7a_100000210776_200025704644 [0,0,0,0,0,0|3,0,0]=3 188 B6R0.6 [13CH3]OCCCCF 34a_100011995726_200025704644 [0,0,0,0,0,0|3,1,0]=4 189 B6R0.6 [13CH3]OCCCCF 7a_100011995726_200025704644 [0,0,0,0,0,0|3,1,0]=4 190 B6R0.6 [13CH3]OCCCCI 34a_200012148704_200025704644 [0,0,0,0,0,0|3,1,0]=4 191 B6R0.6 [13CH3]OCCCCN 34a_100000750430_200025704644 [0,0,0,0,0,0|4,0,0]=4 192 B6R0.6 [13CH3]SCCCCF 62a_100000729493_200025704644 [0,0,0,0,0,0|3,1,0]=4 193 B6R0.6 [13CH3]SCCCCF 62a_200025704644_100000729493 [0,0,0,0,0,0|3,1,0]=4 194 B6R0.6 [13CH3]SCCCCO 62a_100000210776_200025704644 [0,0,0,0,0,0|4,0,0]=4 195 B6R0.6 [13CH3]SCCCCO 62a_200025704644_100000210776 [0,0,0,0,0,0|4,0,0]=4 196 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [1,0,0,0,0,0|1,0,1]=3 197 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [1,0,0,0,0,0|1,0,1]=3 198 B5R0.2 C#CCNCF 34a_100000212058_100015361967 [1,0,0,0,0,0|1,1,1]=4 199 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.2 C#CCSCC 62a_100000038162_100000210202 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 C=CCSCC 62a_100000210202_100000210623 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 C=CCSCC 62a_100000210623_100000210202 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.2 CC=NNCC 4a_100000756455_200000210099 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,0,0,0,0,0|3,0,0]=4 224 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,0,0,0,0,0|1,0,0]=2 226 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,0,0,0,0,0|2,0,0]=3 228 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,0,0,0,0,0|2,1,0]=4 229 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,0,0,0,0,0|2,1,0]=4 232 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,0,0,0,0,0|2,1,0]=4 233 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [1,0,0,0,0,0|1,0,1]=3 235 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [1,0,0,0,0,0|0,1,0]=2 236 B5R0.2 CCNCCF 34a_100000724931_100000210202 [1,0,0,0,0,0|0,1,0]=2 237 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [1,0,0,0,0,0|1,0,0]=2 238 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [1,0,0,0,0,0|1,0,0]=2 239 B5R0.2 CCNCCO 34a_100016990907_100000210202 [1,0,0,0,0,0|1,0,0]=2 240 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,0,0,0,0,0|1,1,0]=3 244 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,0,0,0,0,0|1,1,0]=3 245 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,0,0,0,0,0|2,0,0]=3 246 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,0,0,0,0,0|2,0,0]=3 247 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,0,0,0,0,0|3,0,0]=4 248 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,0,0,0,0,0|3,0,0]=4 249 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,0,0,0,0,0|3,0,0]=4 250 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.2 CCSCC#N 62a_100000210202_100011215382 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.2 CCSCC#N 62a_100011215382_100000210202 [1,0,0,0,0,0|2,0,1]=4 254 B5R0.2 CCSCC=O 62a_100000210202_200015260668 [1,0,0,0,0,0|2,0,1]=4 255 B5R0.2 CCSCC=O 62a_200015260668_100000210202 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.2 CCSCCF 62a_100000210202_100011217306 [1,0,0,0,0,0|1,1,0]=3 257 B5R0.2 CCSCCF 62a_100011217306_100000210202 [1,0,0,0,0,0|1,1,0]=3 258 B5R0.2 CCSCCO 62a_100000210202_100000211926 [1,0,0,0,0,0|2,0,0]=3 259 B5R0.2 CCSCCO 62a_100000211926_100000210202 [1,0,0,0,0,0|2,0,0]=3 260 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,0,0,0,0,0|3,0,0]=4 261 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,0,0,0,0,0|3,0,0]=4 263 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,0,0,0,0,0|2,1,0]=4 265 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,0,0,0,0,0|2,1,0]=4 266 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,0,0,0,0,0|2,1,0]=4 267 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,0,0,0,0,0|2,1,0]=4 268 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,0,0,0,0,0|2,1,0]=4 269 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,0,0,0,0,0|3,0,0]=4 270 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,0,0,0,0,0|3,0,0]=4 271 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,0,0,0,0,0|2,1,0]=4 273 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,0,0,0,0,0|2,1,0]=4 275 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,0,0,0,0,0|2,1,0]=4 276 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,0,0,0,0,0|3,0,0]=4 277 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,0,0,0,0,0|3,0,0]=4 278 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,0,0,0,0,0|2,1,0]=4 279 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,0,0,0,0,0|2,1,0]=4 280 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.2 FCCNCF 34a_100000724931_100015361967 [1,0,0,0,0,0|0,2,0]=3 283 B5R0.2 FCCSCF 62a_100011217306_100015361967 [1,0,0,0,0,0|1,2,0]=4 284 B5R0.2 FCCSCF 62a_100015361967_100011217306 [1,0,0,0,0,0|1,2,0]=4 285 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,0,0,0,0,0|1,2,0]=4 286 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,0,0,0,0,0|2,1,0]=4 287 B5R0.2 OCCNCF 34a_100016990907_100015361967 [1,0,0,0,0,0|1,1,0]=3 288 B5R0.2 OCCSCF 62a_100000211926_100015361967 [1,0,0,0,0,0|2,1,0]=4 289 B5R0.2 OCCSCF 62a_100015361967_100000211926 [1,0,0,0,0,0|2,1,0]=4 290 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,0,0,0,0,0|2,1,0]=4 291 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,0,0,0,0,0|2,1,0]=4 292 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,0,0,0,0,0|2,1,0]=4 293 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,0,0,0,0,0|2,0,0]=3 294 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,0,0,0,0,0|2,1,0]=4 295 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,0,0,0,0,0|3,0,0]=4 296 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,0,0,0,0,0|2,1,0]=4 297 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,0,0,0,0,0|2,1,0]=4 298 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,0,0,0,0,0|3,0,0]=4 300 B7R0.1 C#CCCNCC#C 34a_100000212058_100000688953 [0,1,0,0,0,0|2,0,1]=4 301 B7R0.1 C#CCCNCC#C 34a_100000755551_100000184674 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.1 C#CCCNCC=C 2230a_100020586998_100000688953 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.1 C#CCCNCC=C 34a_100000755551_100015514636 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.1 C#CCCNCC=O 34a_100000755551_200009817547 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.1 C#CCCNCCC 34a_100000755551_100000210303 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.1 C#CCCNCCF 34a_100000724931_100000688953 [0,1,0,0,0,0|1,1,0]=3 307 B7R0.1 C#CCCNCCF 34a_100000755551_100011217306 [0,1,0,0,0,0|1,1,0]=3 308 B7R0.1 C#CCCNCCO 2230a_100016997473_100000688953 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.1 C#CCCNCCO 34a_100000755551_100000211926 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.1 C#CCCNCCO 34a_100016990907_100000688953 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.1 C#CCCNCSC 34a_100000755551_100011218213 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.1 C#CCCOCCBr 34a_100000211926_100000688953 [0,1,0,0,0,0|2,1,0]=4 313 B7R0.1 C#CCCOCCC 34a_100000210258_100000688953 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.1 C#CCCOCCC 34a_100011215631_100000210303 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.1 C#CCCOCCF 34a_100011215631_100011217306 [0,1,0,0,0,0|2,1,0]=4 316 B7R0.1 C#CCCOCCN 34a_100000210304_100000688953 [0,1,0,0,0,0|3,0,0]=4 317 B7R0.1 C#CCCOCCO 34a_100011215631_100000211926 [0,1,0,0,0,0|3,0,0]=4 318 B7R0.1 C#CCCSCCC 62a_100000210303_100000688953 [0,1,0,0,0,0|3,0,0]=4 319 B7R0.1 C#CCCSCCC 62a_100000688953_100000210303 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.1 C#CCCSCCF 62a_100000688953_100011217306 [0,1,0,0,0,0|2,1,0]=4 321 B7R0.1 C#CCCSCCF 62a_100011217306_100000688953 [0,1,0,0,0,0|2,1,0]=4 322 B7R0.1 C#CCCSCCO 62a_100000211926_100000688953 [0,1,0,0,0,0|3,0,0]=4 323 B7R0.1 C#CCCSCCO 62a_100000688953_100000211926 [0,1,0,0,0,0|3,0,0]=4 324 B7R0.1 C#CCNCCC=C 2230a_100015191253_100000038162 [0,1,0,0,0,0|2,0,1]=4 325 B7R0.1 C#CCNCCC=C 34a_100000212058_100000754431 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.1 C#CCNCCCC 2230a_100000102301_100000038162 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.1 C#CCNCCCC 34a_100000212058_100000210210 [0,1,0,0,0,0|2,0,1]=4 328 B7R0.1 C#CCNCCCC 7a_106832991798_100000038162 [0,1,0,0,0,0|2,0,1]=4 329 B7R0.1 C#CCNCCCF 2230a_100015189416_100000038162 [0,1,0,0,0,0|1,1,1]=4 330 B7R0.1 C#CCNCCCF 34a_100000212058_100011934791 [0,1,0,0,0,0|1,1,1]=4 331 B7R0.1 C#CCNCCCF 34a_100015189416_100000184674 [0,1,0,0,0,0|1,1,1]=4 332 B7R0.1 C#CCNCCCO 34a_100000212058_100000230001 [0,1,0,0,0,0|2,0,1]=4 333 B7R0.1 C#CCNCCOC 2230a_100000209980_100000038162 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.1 C#CCNCCOC 34a_100000212058_100011201679 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.1 C#CCNCCSC 2230a_100020590264_100000038162 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.1 C#CCNCCSC 34a_100000212058_100000212216 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.1 C#CCOCCCCl 34a_100000230001_100000184674 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.1 C/C=C/CNCCF 34a_100000724931_100102629194 [0,1,0,0,0,0|1,1,1]=4 339 B7R0.1 C/C=C/CNCCO 34a_100016990907_100102629194 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.1 C=CCCNCC#N 2230a_100015191253_100011215382 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.1 C=CCCNCC=C 2230a_100015191253_100000210623 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.1 C=CCCNCC=C 2230a_100020586998_100000754431 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.1 C=CCCNCC=O 2230a_100015191253_200015260668 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.1 C=CCCNCCC 2230a_100015191253_100000210303 [0,1,0,0,0,0|2,0,0]=3 345 B7R0.1 C=CCCNCCF 2230a_100015191253_100011217306 [0,1,0,0,0,0|1,1,0]=3 346 B7R0.1 C=CCCNCCF 34a_100000724931_100000754431 [0,1,0,0,0,0|1,1,0]=3 347 B7R0.1 C=CCCNCCO 2230a_100015191253_100000211926 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.1 C=CCCNCCO 2230a_100016997473_100000754431 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.1 C=CCCNCCO 34a_100016990907_100000754431 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.1 C=CCCNCOC 2230a_100015191253_100000766300 [0,1,0,0,0,0|3,0,0]=4 351 B7R0.1 C=CCCNCSC 2230a_100015191253_100011218213 [0,1,0,0,0,0|3,0,0]=4 352 B7R0.1 C=CCCOCCBr 34a_100000211926_100000754431 [0,1,0,0,0,0|2,1,0]=4 353 B7R0.1 C=CCCOCCC 34a_100000210258_100000754431 [0,1,0,0,0,0|3,0,0]=4 354 B7R0.1 C=CCCOCCC 34a_100011205117_100000210303 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.1 C=CCCOCCF 34a_100011205117_100011217306 [0,1,0,0,0,0|2,1,0]=4 356 B7R0.1 C=CCCOCCN 34a_100000210304_100000754431 [0,1,0,0,0,0|3,0,0]=4 357 B7R0.1 C=CCCOCCO 34a_100011205117_100000211926 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.1 C=CCCSCCC 62a_100000210303_100000754431 [0,1,0,0,0,0|3,0,0]=4 359 B7R0.1 C=CCCSCCC 62a_100000754431_100000210303 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.1 C=CCCSCCF 62a_100000754431_100011217306 [0,1,0,0,0,0|2,1,0]=4 361 B7R0.1 C=CCCSCCF 62a_100011217306_100000754431 [0,1,0,0,0,0|2,1,0]=4 362 B7R0.1 C=CCCSCCO 62a_100000211926_100000754431 [0,1,0,0,0,0|3,0,0]=4 363 B7R0.1 C=CCCSCCO 62a_100000754431_100000211926 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.1 C=CCNCCC#N 2230a_100020586998_100011215226 [0,1,0,0,0,0|2,0,1]=4 365 B7R0.1 C=CCNCCCC 2230a_100000102301_100000210623 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.1 C=CCNCCCC 2230a_100020586998_100000210211 [0,1,0,0,0,0|2,0,1]=4 367 B7R0.1 C=CCNCCCC 7a_106832991798_100015514636 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.1 C=CCNCCCF 2230a_100015189416_100000210623 [0,1,0,0,0,0|1,1,1]=4 369 B7R0.1 C=CCNCCCF 2230a_100020586998_100011934791 [0,1,0,0,0,0|1,1,1]=4 370 B7R0.1 C=CCNCCCF 34a_100015189416_100015514636 [0,1,0,0,0,0|1,1,1]=4 371 B7R0.1 C=CCNCCCO 2230a_100020586998_100000230001 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.1 C=CCNCCOC 2230a_100000209980_100000210623 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.1 C=CCNCCOC 2230a_100020586998_100011201679 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.1 C=CCNCCSC 2230a_100020586998_100000751147 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.1 C=CCNCCSC 2230a_100020590264_100000210623 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.1 C=CCOCCCCl 34a_100000230001_100015514636 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.1 CC#CCNCCC 2230a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.1 CC#CCNCCC 34a_100000685387_100000210303 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.1 CC#CCNCCF 2230a_100000685387_100011217306 [0,1,0,0,0,0|1,1,1]=4 380 B7R0.1 CC#CCNCCF 34a_100000685387_100011217306 [0,1,0,0,0,0|1,1,1]=4 381 B7R0.1 CC#CCNCCF 34a_100000724931_100000748600 [0,1,0,0,0,0|1,1,1]=4 382 B7R0.1 CC#CCNCCO 2230a_100000685387_100000211926 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.1 CC#CCNCCO 2230a_100016997473_100000748600 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.1 CC#CCNCCO 34a_100000685387_100000211926 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.1 CC#CCNCCO 34a_100016990907_100000748600 [0,1,0,0,0,0|2,0,1]=4 386 B7R0.1 CC=CCNCCF 34a_100000724931_100000070051 [0,1,0,0,0,0|1,1,1]=4 387 B7R0.1 CC=CCNCCO 2230a_100016997473_100000070051 [0,1,0,0,0,0|2,0,1]=4 388 B7R0.1 CC=CCNCCO 34a_100016990907_100000070051 [0,1,0,0,0,0|2,0,1]=4 389 B7R0.1 CCC=NNCCC 4a_100000740057_100000210100 [0,1,0,0,0,0|2,0,1]=4 390 B7R0.1 CCC=NNCCO 4a_100000210001_100000210100 [0,1,0,0,0,0|2,0,1]=4 391 B7R0.1 CCCCCCNC 2230a_100000210581_200000210301 [0,1,0,0,0,0|3,0,0]=4 392 B7R0.1 CCCCCCNC 2230a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.1 CCCCCCNC 34a_100102657272_100000210314 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.1 CCCCCCNC 7a_106832991635_100000210314 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.1 CCCCCCN[13CH3] 2230a_100000210581_200025704644 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.1 CCCCCCOC 34a_100000210259_200000210301 [0,1,0,0,0,0|3,0,0]=4 397 B7R0.1 CCCCCCOC 34a_100138415774_100000210314 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.1 CCCCCCOC 7a_100000210259_200000210301 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.1 CCCCCCO[13CH3] 34a_100000210259_200025704644 [0,1,0,0,0,0|3,0,0]=4 400 B7R0.1 CCCCCCO[13CH3] 7a_100000210259_200025704644 [0,1,0,0,0,0|3,0,0]=4 401 B7R0.1 CCCCCCSC 62a_100000210314_200000210301 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.1 CCCCCCSC 62a_200000210301_100000210757 [0,1,0,0,0,0|3,0,0]=4 403 B7R0.1 CCCCCCS[13CH3] 62a_100000210314_200025704644 [0,1,0,0,0,0|3,0,0]=4 404 B7R0.1 CCCCCCS[13CH3] 62a_200025704644_100000210757 [0,1,0,0,0,0|3,0,0]=4 405 B7R0.1 CCCCCNCC 2230a_100000209983_100000210202 [0,1,0,0,0,0|3,0,0]=4 406 B7R0.1 CCCCCNCC 2230a_100015525214_100000210326 [0,1,0,0,0,0|3,0,0]=4 407 B7R0.1 CCCCCOCC 34a_100000210253_100000210202 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.1 CCCCCOCC 34a_100121572206_100000718602 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.1 CCCCCOCC 7a_100000210253_100000210202 [0,1,0,0,0,0|3,0,0]=4 410 B7R0.1 CCCCCOCF 34a_100000210253_100015361967 [0,1,0,0,0,0|2,1,0]=4 411 B7R0.1 CCCCCOCF 7a_100000210253_100015361967 [0,1,0,0,0,0|2,1,0]=4 412 B7R0.1 CCCCCSCC 62a_100000210202_100000210326 [0,1,0,0,0,0|3,0,0]=4 413 B7R0.1 CCCCCSCC 62a_100000210326_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B7R0.1 CCCCCSCF 62a_100000210326_100015361967 [0,1,0,0,0,0|2,1,0]=4 415 B7R0.1 CCCCCSCF 62a_100015361967_100000210326 [0,1,0,0,0,0|2,1,0]=4 416 B7R0.1 CCCCNCC#N 2230a_100000102301_100011215382 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.1 CCCCNCC#N 7a_106832991798_100011215382 [0,1,0,0,0,0|2,0,1]=4 418 B7R0.1 CCCCNCC=O 2230a_100000102301_200015260668 [0,1,0,0,0,0|2,0,1]=4 419 B7R0.1 CCCCNCC=O 7a_106832991798_200015260668 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.1 CCCCNCCC 2230a_100000102301_100000210303 [0,1,0,0,0,0|2,0,0]=3 421 B7R0.1 CCCCNCCC 7a_106832991798_100000210303 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.1 CCCCNCCF 2230a_100000102301_100011217306 [0,1,0,0,0,0|1,1,0]=3 423 B7R0.1 CCCCNCCF 34a_100000724931_100000210210 [0,1,0,0,0,0|1,1,0]=3 424 B7R0.1 CCCCNCCF 7a_106832991798_100011217306 [0,1,0,0,0,0|1,1,0]=3 425 B7R0.1 CCCCNCCO 2230a_100000102301_100000211926 [0,1,0,0,0,0|2,0,0]=3 426 B7R0.1 CCCCNCCO 2230a_100016997473_100000210211 [0,1,0,0,0,0|2,0,0]=3 427 B7R0.1 CCCCNCCO 34a_100016990907_100000210210 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.1 CCCCNCCO 7a_106832991798_100000211926 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.1 CCCCNCOC 2230a_100000102301_100000766300 [0,1,0,0,0,0|3,0,0]=4 430 B7R0.1 CCCCNCSC 2230a_100000102301_100011218213 [0,1,0,0,0,0|3,0,0]=4 431 B7R0.1 CCCCOCCBr 34a_100000211926_100000210210 [0,1,0,0,0,0|2,1,0]=4 432 B7R0.1 CCCCOCCC 34a_100000210227_100000210303 [0,1,0,0,0,0|3,0,0]=4 433 B7R0.1 CCCCOCCC 34a_100000210258_100000210210 [0,1,0,0,0,0|3,0,0]=4 434 B7R0.1 CCCCOCCC 7a_100000210227_100000210303 [0,1,0,0,0,0|3,0,0]=4 435 B7R0.1 CCCCOCCF 34a_100000210227_100011217306 [0,1,0,0,0,0|2,1,0]=4 436 B7R0.1 CCCCOCCF 7a_100000210227_100011217306 [0,1,0,0,0,0|2,1,0]=4 437 B7R0.1 CCCCOCCN 34a_100000210304_100000210210 [0,1,0,0,0,0|3,0,0]=4 438 B7R0.1 CCCCOCCO 34a_100000210227_100000211926 [0,1,0,0,0,0|3,0,0]=4 439 B7R0.1 CCCCOCCO 7a_100000210227_100000211926 [0,1,0,0,0,0|3,0,0]=4 440 B7R0.1 CCCCSCCC 62a_100000210211_100000210303 [0,1,0,0,0,0|3,0,0]=4 441 B7R0.1 CCCCSCCC 62a_100000210303_100000210210 [0,1,0,0,0,0|3,0,0]=4 442 B7R0.1 CCCCSCCF 62a_100000210211_100011217306 [0,1,0,0,0,0|2,1,0]=4 443 B7R0.1 CCCCSCCF 62a_100011217306_100000210210 [0,1,0,0,0,0|2,1,0]=4 444 B7R0.1 CCCCSCCO 62a_100000210211_100000211926 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.1 CCCCSCCO 62a_100000211926_100000210210 [0,1,0,0,0,0|3,0,0]=4 446 B7R0.1 CCCNCCCF 2230a_100015189416_100000210303 [0,1,0,0,0,0|1,1,0]=3 447 B7R0.1 CCCNCCCF 34a_100015189416_100000210303 [0,1,0,0,0,0|1,1,0]=3 448 B7R0.1 CCCNCCOC 2230a_100000209980_100000210303 [0,1,0,0,0,0|2,0,0]=3 449 B7R0.1 CCCNCCSC 2230a_100020590264_100000210303 [0,1,0,0,0,0|2,0,0]=3 450 B7R0.1 CCCOCCCBr 34a_100011217188_100000210303 [0,1,0,0,0,0|2,1,0]=4 451 B7R0.1 CCCOCCCCl 34a_100000230001_100000210303 [0,1,0,0,0,0|2,0,0]=3 452 B7R0.1 CCCOCCCF 34a_100000210258_100011934791 [0,1,0,0,0,0|2,1,0]=4 453 B7R0.1 CCCOCCCF 34a_100000759539_100000210303 [0,1,0,0,0,0|2,1,0]=4 454 B7R0.1 CCCOCCCN 34a_100000182051_100000210303 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.1 CCCOCCCO 34a_100000210258_100000230001 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.1 CCCOCCNC 2230a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.1 CCCOCCNC 2230a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.1 CCCOCCNC 34a_100102657272_100011215938 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.1 CCCOCCNC 34a_100161115042_200000210301 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.1 CCCOCCNC 7a_106832991635_100011215938 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.1 CCCOCCN[13CH3] 2230a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.1 CCCOCCN[13CH3] 34a_100161115042_200025704644 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.1 CCCOCCOC 34a_100000210237_100000210303 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.1 CCCOCCOC 34a_100000210258_100011201679 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.1 CCCOCCOC 34a_100000752267_200000210301 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.1 CCCOCCOC 34a_100138415774_100011215938 [0,1,0,0,0,0|3,0,0]=4 467 B7R0.1 CCCOCCOC 7a_100000752267_200000210301 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.1 CCCOCCON 34a_100000700252_100000210303 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.1 CCCOCCO[13CH3] 34a_100000752267_200025704644 [0,1,0,0,0,0|3,0,0]=4 470 B7R0.1 CCCOCCO[13CH3] 7a_100000752267_200025704644 [0,1,0,0,0,0|3,0,0]=4 471 B7R0.1 CCCOCCSC 34a_100000210258_100000212216 [0,1,0,0,0,0|3,0,0]=4 472 B7R0.1 CCCOCCSC 34a_100000230434_100000210303 [0,1,0,0,0,0|3,0,0]=4 473 B7R0.1 CCCOCCSC 62a_100011215938_200000210301 [0,1,0,0,0,0|3,0,0]=4 474 B7R0.1 CCCOCCSC 62a_200000210301_100011215938 [0,1,0,0,0,0|3,0,0]=4 475 B7R0.1 CCCOCCSC 7a_100000230434_100000210303 [0,1,0,0,0,0|3,0,0]=4 476 B7R0.1 CCCOCCS[13CH3] 62a_100011215938_200025704644 [0,1,0,0,0,0|3,0,0]=4 477 B7R0.1 CCCOCCS[13CH3] 62a_200025704644_100011215938 [0,1,0,0,0,0|3,0,0]=4 478 B7R0.1 CCCSCCC#N 62a_100000210303_100011215226 [0,1,0,0,0,0|3,0,0]=4 479 B7R0.1 CCCSCCC#N 62a_100011215226_100000210303 [0,1,0,0,0,0|3,0,0]=4 480 B7R0.1 CCCSCCCF 62a_100000210303_100011934791 [0,1,0,0,0,0|2,1,0]=4 481 B7R0.1 CCCSCCCF 62a_100011934791_100000210303 [0,1,0,0,0,0|2,1,0]=4 482 B7R0.1 CCCSCCCO 62a_100000210303_100011215043 [0,1,0,0,0,0|3,0,0]=4 483 B7R0.1 CCCSCCCO 62a_100011215043_100000210303 [0,1,0,0,0,0|3,0,0]=4 484 B7R0.1 CCCSCCNC 2230a_100020603323_200000210301 [0,1,0,0,0,0|3,0,0]=4 485 B7R0.1 CCCSCCN[13CH3] 2230a_100020603323_200025704644 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.1 CCCSCCOC 34a_200000230433_200000210301 [0,1,0,0,0,0|3,0,0]=4 487 B7R0.1 CCCSCCOC 62a_100000210303_100000233755 [0,1,0,0,0,0|3,0,0]=4 488 B7R0.1 CCCSCCOC 62a_100000233755_100000210303 [0,1,0,0,0,0|3,0,0]=4 489 B7R0.1 CCCSCCOC 7a_200000230433_200000210301 [0,1,0,0,0,0|3,0,0]=4 490 B7R0.1 CCCSCCO[13CH3] 34a_200000230433_200025704644 [0,1,0,0,0,0|3,0,0]=4 491 B7R0.1 CCCSCCO[13CH3] 7a_200000230433_200025704644 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.1 CCCSCCSC 62a_100000210303_100000751147 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.1 CCCSCCSC 62a_100000212216_100000210303 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.1 CCCSCOCC 62a_100000210303_100000739092 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.1 CCCSCOCC 62a_100000739092_100000210303 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.1 CCNCCCCF 2230a_100015525214_100000729493 [0,1,0,0,0,0|2,1,0]=4 497 B7R0.1 CCNCCCCO 2230a_100000750430_100000210202 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.1 CCNCCCCO 2230a_100015525214_100000210776 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.1 CCNCCCCO 34a_100000750430_100000210202 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.1 CCOCC#CCCl 34a_200000047223_100000210202 [0,1,0,0,0,0|2,0,1]=4 501 B7R0.1 CCOCCCCBr 34a_100011216708_100000210202 [0,1,0,0,0,0|2,1,0]=4 502 B7R0.1 CCOCCCCCl 34a_100000210776_100000210202 [0,1,0,0,0,0|2,0,0]=3 503 B7R0.1 CCOCCCCCl 7a_100000210776_100000210202 [0,1,0,0,0,0|2,0,0]=3 504 B7R0.1 CCOCCCCF 34a_100011995726_100000210202 [0,1,0,0,0,0|2,1,0]=4 505 B7R0.1 CCOCCCCF 34a_100121572206_100000729493 [0,1,0,0,0,0|2,1,0]=4 506 B7R0.1 CCOCCCCF 7a_100011995726_100000210202 [0,1,0,0,0,0|2,1,0]=4 507 B7R0.1 CCOCCCCI 34a_200012148704_100000210202 [0,1,0,0,0,0|2,1,0]=4 508 B7R0.1 CCOCCCCN 34a_100000750430_100000210202 [0,1,0,0,0,0|3,0,0]=4 509 B7R0.1 CCOCCCCO 34a_100121572206_100011216708 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.1 CCOCSCCF 62a_100000739092_100011217306 [0,1,0,0,0,0|2,1,0]=4 511 B7R0.1 CCOCSCCF 62a_100011217306_100000739092 [0,1,0,0,0,0|2,1,0]=4 512 B7R0.1 CCOCSCCO 62a_100000211926_100000739092 [0,1,0,0,0,0|3,0,0]=4 513 B7R0.1 CCOCSCCO 62a_100000739092_100000211926 [0,1,0,0,0,0|3,0,0]=4 514 B7R0.1 CCSCCCCF 62a_100000210202_100000729493 [0,1,0,0,0,0|2,1,0]=4 515 B7R0.1 CCSCCCCF 62a_100000729493_100000210202 [0,1,0,0,0,0|2,1,0]=4 516 B7R0.1 CCSCCCCO 62a_100000210202_100000210776 [0,1,0,0,0,0|3,0,0]=4 517 B7R0.1 CCSCCCCO 62a_100000210776_100000210202 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.1 CNCCCCCF 2230a_106832991635_100000729378 [0,1,0,0,0,0|2,1,0]=4 519 B7R0.1 CNCCCCCF 34a_100102657272_100000729378 [0,1,0,0,0,0|2,1,0]=4 520 B7R0.1 CNCCCCCF 7a_106832991635_100000729378 [0,1,0,0,0,0|2,1,0]=4 521 B7R0.1 CNCCCCCO 2230a_100000762737_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.1 CNCCCCCO 2230a_106832991635_100000746330 [0,1,0,0,0,0|3,0,0]=4 523 B7R0.1 CNCCCCCO 34a_100000762737_200000210301 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.1 CNCCCCCO 34a_100102657272_100000746330 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.1 CNCCCCCO 7a_106832991635_100000746330 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.1 CNCCOCCO 2230a_100000211614_200000210301 [0,1,0,0,0,0|3,0,0]=4 527 B7R0.1 CNCCOCCO 2230a_106832991635_100011215305 [0,1,0,0,0,0|3,0,0]=4 528 B7R0.1 CNCCOCCO 34a_100000211614_200000210301 [0,1,0,0,0,0|3,0,0]=4 529 B7R0.1 CNCCOCCO 34a_100102657272_100000692535 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.1 CNCCOCCO 7a_106832991635_100011215305 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.1 CNCCSCCO 2230a_100011219999_200000210301 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.1 COCCCCCBr 34a_100000746331_200000210301 [0,1,0,0,0,0|2,1,0]=4 533 B7R0.1 COCCCCCBr 7a_100000746331_200000210301 [0,1,0,0,0,0|2,1,0]=4 534 B7R0.1 COCCCCCCl 34a_100000746330_200000210301 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.1 COCCCCCCl 7a_100000746330_200000210301 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.1 COCCCCCF 34a_100138415774_100000729378 [0,1,0,0,0,0|2,1,0]=4 537 B7R0.1 COCCCCCI 34a_200012148887_200000210301 [0,1,0,0,0,0|2,1,0]=4 538 B7R0.1 COCCCCCI 7a_200012148887_200000210301 [0,1,0,0,0,0|2,1,0]=4 539 B7R0.1 COCCCCCN 34a_100000762737_200000210301 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.1 COCCCCCO 34a_100138415774_100000746330 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.1 COCCNCC#N 2230a_100000209980_100011215382 [0,1,0,0,0,0|2,0,1]=4 542 B7R0.1 COCCNCC=O 2230a_100000209980_200015260668 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.1 COCCNCCF 2230a_100000209980_100011217306 [0,1,0,0,0,0|1,1,0]=3 544 B7R0.1 COCCNCCF 34a_100000724931_100011201679 [0,1,0,0,0,0|1,1,0]=3 545 B7R0.1 COCCNCCO 2230a_100000209980_100000211926 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.1 COCCNCCO 2230a_100016997473_100011201679 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.1 COCCNCCO 34a_100016990907_100011201679 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.1 COCCNCOC 2230a_100000209980_100000766300 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.1 COCCNCSC 2230a_100000209980_100011218213 [0,1,0,0,0,0|3,0,0]=4 550 B7R0.1 COCCOCCBr 34a_100000211926_100011201679 [0,1,0,0,0,0|2,1,0]=4 551 B7R0.1 COCCOCCBr 34a_100000692535_200000210301 [0,1,0,0,0,0|2,1,0]=4 552 B7R0.1 COCCOCCBr 7a_100000692535_200000210301 [0,1,0,0,0,0|2,1,0]=4 553 B7R0.1 COCCOCCCl 34a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.1 COCCOCCCl 7a_100011215305_200000210301 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.1 COCCOCCF 34a_100000210237_100011217306 [0,1,0,0,0,0|2,1,0]=4 556 B7R0.1 COCCOCCF 34a_200015357709_200000210301 [0,1,0,0,0,0|2,1,0]=4 557 B7R0.1 COCCOCCF 7a_200015357709_200000210301 [0,1,0,0,0,0|2,1,0]=4 558 B7R0.1 COCCOCCI 34a_100012149058_200000210301 [0,1,0,0,0,0|2,1,0]=4 559 B7R0.1 COCCOCCI 7a_100012149058_200000210301 [0,1,0,0,0,0|2,1,0]=4 560 B7R0.1 COCCOCCN 34a_100000210304_100011201679 [0,1,0,0,0,0|3,0,0]=4 561 B7R0.1 COCCOCCN 34a_100000211614_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B7R0.1 COCCOCCO 34a_100000210237_100000211926 [0,1,0,0,0,0|3,0,0]=4 563 B7R0.1 COCCOCCO 34a_100138415774_100000692535 [0,1,0,0,0,0|3,0,0]=4 564 B7R0.1 COCCSCCF 62a_100000233755_100011217306 [0,1,0,0,0,0|2,1,0]=4 565 B7R0.1 COCCSCCF 62a_100011217306_100000233755 [0,1,0,0,0,0|2,1,0]=4 566 B7R0.1 COCCSCCO 62a_100000211926_100000233755 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.1 COCCSCCO 62a_100000233755_100000211926 [0,1,0,0,0,0|3,0,0]=4 568 B7R0.1 COCNCCCF 2230a_100015189416_100000766300 [0,1,0,0,0,0|2,1,0]=4 569 B7R0.1 COCNCCSC 2230a_100020590264_100000766300 [0,1,0,0,0,0|3,0,0]=4 570 B7R0.1 CSCCCCCF 62a_100000729378_200000210301 [0,1,0,0,0,0|2,1,0]=4 571 B7R0.1 CSCCCCCF 62a_200000210301_100000729378 [0,1,0,0,0,0|2,1,0]=4 572 B7R0.1 CSCCCCCO 62a_100000746330_200000210301 [0,1,0,0,0,0|3,0,0]=4 573 B7R0.1 CSCCCCCO 62a_200000210301_100000746330 [0,1,0,0,0,0|3,0,0]=4 574 B7R0.1 CSCCNCC#N 2230a_100020590264_100011215382 [0,1,0,0,0,0|2,0,1]=4 575 B7R0.1 CSCCNCC=O 2230a_100020590264_200015260668 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.1 CSCCNCCF 2230a_100020590264_100011217306 [0,1,0,0,0,0|1,1,0]=3 577 B7R0.1 CSCCNCCF 34a_100000724931_100000212216 [0,1,0,0,0,0|1,1,0]=3 578 B7R0.1 CSCCNCCO 2230a_100016997473_100000751147 [0,1,0,0,0,0|2,0,0]=3 579 B7R0.1 CSCCNCCO 2230a_100020590264_100000211926 [0,1,0,0,0,0|2,0,0]=3 580 B7R0.1 CSCCNCCO 34a_100016990907_100000212216 [0,1,0,0,0,0|2,0,0]=3 581 B7R0.1 CSCCNCSC 2230a_100020590264_100011218213 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.1 CSCCOCCBr 34a_100000211926_100000212216 [0,1,0,0,0,0|2,1,0]=4 583 B7R0.1 CSCCOCCF 34a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 584 B7R0.1 CSCCOCCF 7a_100000230434_100011217306 [0,1,0,0,0,0|2,1,0]=4 585 B7R0.1 CSCCOCCN 34a_100000210304_100000212216 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.1 CSCCOCCO 34a_100000230434_100000211926 [0,1,0,0,0,0|3,0,0]=4 587 B7R0.1 CSCCOCCO 62a_100011215305_200000210301 [0,1,0,0,0,0|3,0,0]=4 588 B7R0.1 CSCCOCCO 62a_200000210301_100011215305 [0,1,0,0,0,0|3,0,0]=4 589 B7R0.1 CSCCOCCO 7a_100000230434_100000211926 [0,1,0,0,0,0|3,0,0]=4 590 B7R0.1 CSCCSCCF 62a_100000212216_100011217306 [0,1,0,0,0,0|2,1,0]=4 591 B7R0.1 CSCCSCCF 62a_100011217306_100000751147 [0,1,0,0,0,0|2,1,0]=4 592 B7R0.1 CSCCSCCO 62a_100000211926_100000751147 [0,1,0,0,0,0|3,0,0]=4 593 B7R0.1 CSCCSCCO 62a_100000212216_100000211926 [0,1,0,0,0,0|3,0,0]=4 594 B7R0.1 CSCNCCCF 2230a_100015189416_100011218213 [0,1,0,0,0,0|2,1,0]=4 595 B7R0.1 CSCNCCCF 34a_100015189416_100011218213 [0,1,0,0,0,0|2,1,0]=4 596 B7R0.1 CSCOCCCCl 34a_100000230001_100011218213 [0,1,0,0,0,0|3,0,0]=4 597 B7R0.1 FCCCCOCF 34a_100011995726_100015361967 [0,1,0,0,0,0|1,2,0]=4 598 B7R0.1 FCCCCOCF 7a_100011995726_100015361967 [0,1,0,0,0,0|1,2,0]=4 599 B7R0.1 FCCCCSCF 62a_100000729493_100015361967 [0,1,0,0,0,0|1,2,0]=4 600 B7R0.1 FCCCCSCF 62a_100015361967_100000729493 [0,1,0,0,0,0|1,2,0]=4 601 B7R0.1 FCCCNCCF 2230a_100015189416_100011217306 [0,1,0,0,0,0|0,2,0]=3 602 B7R0.1 FCCCNCCF 34a_100000724931_100011934791 [0,1,0,0,0,0|0,2,0]=3 603 B7R0.1 FCCCNCCF 34a_100015189416_100011217306 [0,1,0,0,0,0|0,2,0]=3 604 B7R0.1 FCCCOCCBr 34a_100000211926_100011934791 [0,1,0,0,0,0|1,2,0]=4 605 B7R0.1 FCCCOCCF 34a_100000759539_100011217306 [0,1,0,0,0,0|1,2,0]=4 606 B7R0.1 FCCCSCCF 62a_100011217306_100011934791 [0,1,0,0,0,0|1,2,0]=4 607 B7R0.1 FCCCSCCF 62a_100011934791_100011217306 [0,1,0,0,0,0|1,2,0]=4 608 B7R0.1 FCCOCCCBr 34a_100011217188_100011217306 [0,1,0,0,0,0|1,2,0]=4 609 B7R0.1 FCCOCCCCl 34a_100000230001_100011217306 [0,1,0,0,0,0|1,1,0]=3 610 B7R0.1 FCOCC#CCCl 34a_200000047223_100015361967 [0,1,0,0,0,0|1,1,1]=4 611 B7R0.1 FCOCCCCBr 34a_100011216708_100015361967 [0,1,0,0,0,0|1,2,0]=4 612 B7R0.1 FCOCCCCCl 34a_100000210776_100015361967 [0,1,0,0,0,0|1,1,0]=3 613 B7R0.1 FCOCCCCCl 7a_100000210776_100015361967 [0,1,0,0,0,0|1,1,0]=3 614 B7R0.1 FCOCCCCI 34a_200012148704_100015361967 [0,1,0,0,0,0|1,2,0]=4 615 B7R0.1 N#CCCNCCO 2230a_100016997473_100011215226 [0,1,0,0,0,0|2,0,0]=3 616 B7R0.1 N#CCCSCCF 62a_100011215226_100011217306 [0,1,0,0,0,0|2,1,0]=4 617 B7R0.1 N#CCCSCCF 62a_100011217306_100011215226 [0,1,0,0,0,0|2,1,0]=4 618 B7R0.1 N#CCCSCCO 62a_100000211926_100011215226 [0,1,0,0,0,0|3,0,0]=4 619 B7R0.1 N#CCCSCCO 62a_100011215226_100000211926 [0,1,0,0,0,0|3,0,0]=4 620 B7R0.1 N#CCNCCCF 2230a_100015189416_100011215382 [0,1,0,0,0,0|1,1,1]=4 621 B7R0.1 NCCCCOCF 34a_100000750430_100015361967 [0,1,0,0,0,0|2,1,0]=4 622 B7R0.1 NCCCOCCF 34a_100000182051_100011217306 [0,1,0,0,0,0|2,1,0]=4 623 B7R0.1 NCCCOCCO 34a_100000182051_100000211926 [0,1,0,0,0,0|3,0,0]=4 624 B7R0.1 NCCOCCCF 34a_100000210304_100011934791 [0,1,0,0,0,0|2,1,0]=4 625 B7R0.1 NCCOCCCO 34a_100000210304_100000230001 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.1 NOCCOCCF 34a_100000700252_100011217306 [0,1,0,0,0,0|2,1,0]=4 627 B7R0.1 NOCCOCCO 34a_100000700252_100000211926 [0,1,0,0,0,0|3,0,0]=4 628 B7R0.1 O=CCNCCCF 2230a_100015189416_200015260668 [0,1,0,0,0,0|1,1,1]=4 629 B7R0.1 O=CCNCCCF 34a_100015189416_200009817547 [0,1,0,0,0,0|1,1,1]=4 630 B7R0.1 O=CCOCCCCl 34a_100000230001_200009817547 [0,1,0,0,0,0|2,0,1]=4 631 B7R0.1 OCCCCNCF 34a_100000750430_100015361967 [0,1,0,0,0,0|2,1,0]=4 632 B7R0.1 OCCCCSCF 62a_100000210776_100015361967 [0,1,0,0,0,0|2,1,0]=4 633 B7R0.1 OCCCCSCF 62a_100015361967_100000210776 [0,1,0,0,0,0|2,1,0]=4 634 B7R0.1 OCCCNCCF 34a_100000724931_100000230001 [0,1,0,0,0,0|1,1,0]=3 635 B7R0.1 OCCCNCCO 2230a_100016997473_100000230001 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.1 OCCCNCCO 34a_100016990907_100000230001 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.1 OCCCOCCBr 34a_100000211926_100000230001 [0,1,0,0,0,0|2,1,0]=4 638 B7R0.1 OCCCSCCF 62a_100011215043_100011217306 [0,1,0,0,0,0|2,1,0]=4 639 B7R0.1 OCCCSCCF 62a_100011217306_100011215043 [0,1,0,0,0,0|2,1,0]=4 640 B7R0.1 OCCCSCCO 62a_100000211926_100011215043 [0,1,0,0,0,0|3,0,0]=4 641 B7R0.1 OCCCSCCO 62a_100011215043_100000211926 [0,1,0,0,0,0|3,0,0]=4 642 B7R0.1 OCCNCCCF 2230a_100015189416_100000211926 [0,1,0,0,0,0|1,1,0]=3 643 B7R0.1 OCCNCCCF 2230a_100016997473_100011934791 [0,1,0,0,0,0|1,1,0]=3 644 B7R0.1 OCCNCCCF 34a_100015189416_100000211926 [0,1,0,0,0,0|1,1,0]=3 645 B7R0.1 OCCNCCCF 34a_100016990907_100011934791 [0,1,0,0,0,0|1,1,0]=3 646 B7R0.1 OCCOCCCBr 34a_100011217188_100000211926 [0,1,0,0,0,0|2,1,0]=4 647 B7R0.1 OCCOCCCCl 34a_100000230001_100000211926 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.1 OCCOCCCF 34a_100000759539_100000211926 [0,1,0,0,0,0|2,1,0]=4 649 B7R0.1 OCCSCCCF 62a_100000211926_100011934791 [0,1,0,0,0,0|2,1,0]=4 650 B7R0.1 OCCSCCCF 62a_100011934791_100000211926 [0,1,0,0,0,0|2,1,0]=4 651 B7R0.1 [13CH3]NCCCCCO 2230a_100000762737_200025704644 [0,1,0,0,0,0|3,0,0]=4 652 B7R0.1 [13CH3]NCCCCCO 34a_100000762737_200025704644 [0,1,0,0,0,0|3,0,0]=4 653 B7R0.1 [13CH3]NCCOCCO 2230a_100000211614_200025704644 [0,1,0,0,0,0|3,0,0]=4 654 B7R0.1 [13CH3]NCCOCCO 34a_100000211614_200025704644 [0,1,0,0,0,0|3,0,0]=4 655 B7R0.1 [13CH3]NCCSCCO 2230a_100011219999_200025704644 [0,1,0,0,0,0|3,0,0]=4 656 B7R0.1 [13CH3]OCCCCCBr 34a_100000746331_200025704644 [0,1,0,0,0,0|2,1,0]=4 657 B7R0.1 [13CH3]OCCCCCBr 7a_100000746331_200025704644 [0,1,0,0,0,0|2,1,0]=4 658 B7R0.1 [13CH3]OCCCCCCl 34a_100000746330_200025704644 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.1 [13CH3]OCCCCCCl 7a_100000746330_200025704644 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.1 [13CH3]OCCCCCI 34a_200012148887_200025704644 [0,1,0,0,0,0|2,1,0]=4 661 B7R0.1 [13CH3]OCCCCCI 7a_200012148887_200025704644 [0,1,0,0,0,0|2,1,0]=4 662 B7R0.1 [13CH3]OCCCCCN 34a_100000762737_200025704644 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.1 [13CH3]OCCOCCBr 34a_100000692535_200025704644 [0,1,0,0,0,0|2,1,0]=4 664 B7R0.1 [13CH3]OCCOCCBr 7a_100000692535_200025704644 [0,1,0,0,0,0|2,1,0]=4 665 B7R0.1 [13CH3]OCCOCCCl 34a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.1 [13CH3]OCCOCCCl 7a_100011215305_200025704644 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.1 [13CH3]OCCOCCF 34a_200015357709_200025704644 [0,1,0,0,0,0|2,1,0]=4 668 B7R0.1 [13CH3]OCCOCCF 7a_200015357709_200025704644 [0,1,0,0,0,0|2,1,0]=4 669 B7R0.1 [13CH3]OCCOCCI 34a_100012149058_200025704644 [0,1,0,0,0,0|2,1,0]=4 670 B7R0.1 [13CH3]OCCOCCI 7a_100012149058_200025704644 [0,1,0,0,0,0|2,1,0]=4 671 B7R0.1 [13CH3]OCCOCCN 34a_100000211614_200025704644 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.1 [13CH3]SCCCCCF 62a_100000729378_200025704644 [0,1,0,0,0,0|2,1,0]=4 673 B7R0.1 [13CH3]SCCCCCF 62a_200025704644_100000729378 [0,1,0,0,0,0|2,1,0]=4 674 B7R0.1 [13CH3]SCCCCCO 62a_100000746330_200025704644 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.1 [13CH3]SCCCCCO 62a_200025704644_100000746330 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.1 [13CH3]SCCOCCO 62a_100011215305_200025704644 [0,1,0,0,0,0|3,0,0]=4 677 B7R0.1 [13CH3]SCCOCCO 62a_200025704644_100011215305 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 679 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [0,1,0,0,0,0|2,0,1]=4 680 B7R0.3 C#CC(C)NCCF 2230a_100000707721_100011217306 [0,1,0,0,0,0|1,1,1]=4 681 B7R0.3 C#CC(C)NCCF 34a_100000707721_100011217306 [0,1,0,0,0,0|1,1,1]=4 682 B7R0.3 C#CC(C)NCCF 34a_100000724931_200000035995 [0,1,0,0,0,0|1,1,1]=4 683 B7R0.3 C#CC(C)NCCO 2230a_100000707721_100000211926 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.3 C#CC(C)NCCO 34a_100000707721_100000211926 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.3 C#CC(C)NCCO 34a_100016990907_200000035995 [0,1,0,0,0,0|2,0,1]=4 686 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,1,0,0,0,0|2,0,1]=4 687 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,1,0,0,0,0|2,0,1]=4 688 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [0,1,0,0,0,0|2,0,1]=4 690 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,1,0,0,0,0|2,0,1]=4 691 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [0,1,0,0,0,0|2,0,1]=4 694 B7R0.3 CC(C#N)NCCF 2230a_100000737613_100011217306 [0,1,0,0,0,0|1,1,1]=4 695 B7R0.3 CC(C#N)NCCO 2230a_100000737613_100000211926 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.3 CC(C#N)NCCO 2230a_100016997473_100000184139 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,1,0,0,0,0|3,0,0]=4 698 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,1,0,0,0,0|1,2,0]=4 700 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,1,0,0,0,0|1,2,0]=4 701 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,1,0,0,0,0|2,1,0]=4 702 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,1,0,0,0,0|2,1,0]=4 703 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|2,1,0]=4 704 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|3,0,0]=4 705 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [0,1,0,0,0,0|1,1,0]=3 706 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [0,1,0,0,0,0|2,0,0]=3 707 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [0,1,0,0,0,0|2,0,0]=3 708 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,1,0,0,0,0|2,1,0]=4 709 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,1,0,0,0,0|3,0,0]=4 710 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [0,1,0,0,0,0|2,1,0]=4 711 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [0,1,0,0,0,0|3,0,0]=4 712 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [0,1,0,0,0,0|1,1,1]=4 713 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [0,1,0,0,0,0|1,1,1]=4 714 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [0,1,0,0,0,0|1,1,1]=4 715 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [0,1,0,0,0,0|1,1,1]=4 716 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,1,0,0,0,0|1,1,0]=3 721 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,1,0,0,0,0|1,1,0]=3 722 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,1,0,0,0,0|2,0,0]=3 723 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,1,0,0,0,0|2,0,0]=3 724 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,1,0,0,0,0|2,0,0]=3 725 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,1,0,0,0,0|3,0,0]=4 726 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,1,0,0,0,0|3,0,0]=4 727 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,1,0,0,0,0|2,1,0]=4 728 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,1,0,0,0,0|2,1,0]=4 729 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,1,0,0,0,0|3,0,0]=4 730 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,1,0,0,0,0|3,0,0]=4 731 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,1,0,0,0,0|2,1,0]=4 732 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,1,0,0,0,0|2,1,0]=4 733 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 736 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 737 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 738 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 740 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,1,0,0,0,0|2,0,0]=3 743 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [0,1,0,0,0,0|2,0,0]=3 744 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,1,0,0,0,0|3,0,0]=4 745 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,1,0,0,0,0|3,0,0]=4 746 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,1,0,0,0,0|2,1,0]=4 747 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,1,0,0,0,0|2,1,0]=4 748 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,1,0,0,0,0|3,0,0]=4 749 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,1,0,0,0,0|3,0,0]=4 751 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [0,1,0,0,0,0|3,0,0]=4 753 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [0,1,0,0,0,0|3,0,0]=4 754 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [0,1,0,0,0,0|3,0,0]=4 755 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [0,1,0,0,0,0|3,0,0]=4 756 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,1,0,0,0,0|3,0,0]=4 757 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,1,0,0,0,0|3,0,0]=4 758 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,1,0,0,0,0|3,0,0]=4 759 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [0,1,0,0,0,0|3,0,0]=4 760 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [0,1,0,0,0,0|2,0,1]=4 762 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [0,1,0,0,0,0|1,1,0]=3 763 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [0,1,0,0,0,0|2,0,0]=3 764 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [0,1,0,0,0,0|2,1,0]=4 765 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [0,1,0,0,0,0|2,1,0]=4 766 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [0,1,0,0,0,0|3,0,0]=4 767 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [0,1,0,0,0,0|3,0,0]=4 768 B7R0.3 FCOCC(Cl)CCl 34a_100000033668_100015361967 [0,1,0,0,0,0|2,1,0]=4 769 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [0,1,0,0,0,0|1,1,1]=4 770 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [0,1,0,0,0,0|1,1,1]=4 771 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.4 C#CCNCC(C)C 2230a_100000210953_100000038162 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.4 C#CCNCC(C)C 34a_100000210953_100000184674 [0,1,0,0,0,0|2,0,1]=4 775 B7R0.4 C#CCNCC(C)C 34a_100000212058_100000210624 [0,1,0,0,0,0|2,0,1]=4 776 B7R0.4 C#CCNCC(C)O 2230a_100000210904_100000038162 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.4 C#CCNCC(C)O 34a_100000210904_100000184674 [0,1,0,0,0,0|2,0,1]=4 778 B7R0.4 C#CCNCC(C)O 34a_100000212058_100011218427 [0,1,0,0,0,0|2,0,1]=4 779 B7R0.4 C#CCNCC(F)F 34a_100000212058_100011934356 [0,1,0,0,0,0|1,1,1]=4 780 B7R0.4 C#CCNCC(F)F 34a_100000765723_100000184674 [0,1,0,0,0,0|1,1,1]=4 781 B7R0.4 C#CCNC[C@@H](C)O 34a_100000212058_100009817552 [0,1,0,0,0,0|2,0,1]=4 782 B7R0.4 C#CCOC[C@@H](C)Cl 34a_100016084084_100000184674 [0,1,0,0,0,0|2,0,1]=4 783 B7R0.4 C=C(C)CNCCF 34a_100000724931_100000748629 [0,1,0,0,0,0|1,1,1]=4 784 B7R0.4 C=C(C)CNCCO 2230a_100016997473_100000748629 [0,1,0,0,0,0|2,0,1]=4 785 B7R0.4 C=C(C)CNCCO 34a_100016990907_100000748629 [0,1,0,0,0,0|2,0,1]=4 786 B7R0.4 C=C(F)CNCCF 34a_100000724931_100009893438 [0,1,0,0,0,0|0,2,1]=4 787 B7R0.4 C=C(F)CNCCO 2230a_100016997473_100009893438 [0,1,0,0,0,0|1,1,1]=4 788 B7R0.4 C=C(F)CNCCO 34a_100016990907_100009893438 [0,1,0,0,0,0|1,1,1]=4 789 B7R0.4 C=CCNCC(C)C 2230a_100000210953_100000210623 [0,1,0,0,0,0|2,0,1]=4 790 B7R0.4 C=CCNCC(C)C 2230a_100020586998_100000210760 [0,1,0,0,0,0|2,0,1]=4 791 B7R0.4 C=CCNCC(C)C 270004a_100020586998_100000210432 [0,1,0,0,0,0|2,0,1]=4 792 B7R0.4 C=CCNCC(C)C 34a_100000210953_100015514636 [0,1,0,0,0,0|2,0,1]=4 793 B7R0.4 C=CCNCC(C)O 2230a_100000210904_100000210623 [0,1,0,0,0,0|2,0,1]=4 794 B7R0.4 C=CCNCC(C)O 2230a_100020586998_100011218427 [0,1,0,0,0,0|2,0,1]=4 795 B7R0.4 C=CCNCC(C)O 34a_100000210904_100015514636 [0,1,0,0,0,0|2,0,1]=4 796 B7R0.4 C=CCNCC(F)F 2230a_100020586998_100011934356 [0,1,0,0,0,0|1,1,1]=4 797 B7R0.4 C=CCNCC(F)F 34a_100000765723_100015514636 [0,1,0,0,0,0|1,1,1]=4 798 B7R0.4 C=CCNC[C@@H](C)O 2230a_100020586998_100009817552 [0,1,0,0,0,0|2,0,1]=4 799 B7R0.4 C=CCOC[C@@H](C)Cl 34a_100016084084_100015514636 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.4 CC(Br)COCCF 34a_100012180447_100011217306 [0,1,0,0,0,0|1,2,0]=4 801 B7R0.4 CC(Br)COCCO 34a_100012180447_100000211926 [0,1,0,0,0,0|2,1,0]=4 802 B7R0.4 CC(C)CNCC#N 2230a_100000210953_100011215382 [0,1,0,0,0,0|2,0,1]=4 803 B7R0.4 CC(C)CNCC=O 2230a_100000210953_200015260668 [0,1,0,0,0,0|2,0,1]=4 804 B7R0.4 CC(C)CNCC=O 34a_100000210953_200009817547 [0,1,0,0,0,0|2,0,1]=4 805 B7R0.4 CC(C)CNCCF 2230a_100000210953_100011217306 [0,1,0,0,0,0|1,1,0]=3 806 B7R0.4 CC(C)CNCCF 34a_100000210953_100011217306 [0,1,0,0,0,0|1,1,0]=3 807 B7R0.4 CC(C)CNCCF 34a_100000724931_100000210624 [0,1,0,0,0,0|1,1,0]=3 808 B7R0.4 CC(C)CNCCO 2230a_100000210953_100000211926 [0,1,0,0,0,0|2,0,0]=3 809 B7R0.4 CC(C)CNCCO 2230a_100016997473_100000210760 [0,1,0,0,0,0|2,0,0]=3 810 B7R0.4 CC(C)CNCCO 270004a_100000210304_100000210432 [0,1,0,0,0,0|2,0,0]=3 811 B7R0.4 CC(C)CNCCO 34a_100000210953_100000211926 [0,1,0,0,0,0|2,0,0]=3 812 B7R0.4 CC(C)CNCCO 34a_100016990907_100000210624 [0,1,0,0,0,0|2,0,0]=3 813 B7R0.4 CC(C)COCCBr 34a_100000211926_100000210624 [0,1,0,0,0,0|2,1,0]=4 814 B7R0.4 CC(C)COCCF 34a_100000210257_100011217306 [0,1,0,0,0,0|2,1,0]=4 815 B7R0.4 CC(C)COCCN 34a_100000210304_100000210624 [0,1,0,0,0,0|3,0,0]=4 816 B7R0.4 CC(C)COCCO 34a_100000210257_100000211926 [0,1,0,0,0,0|3,0,0]=4 817 B7R0.4 CC(C)CSCCF 62a_100000210624_100011217306 [0,1,0,0,0,0|2,1,0]=4 818 B7R0.4 CC(C)CSCCF 62a_100011217306_100000210760 [0,1,0,0,0,0|2,1,0]=4 819 B7R0.4 CC(C)CSCCO 62a_100000210624_100000211926 [0,1,0,0,0,0|3,0,0]=4 820 B7R0.4 CC(C)CSCCO 62a_100000211926_100000210760 [0,1,0,0,0,0|3,0,0]=4 821 B7R0.4 CC(C)OCCCCl 34a_100000230001_100000210206 [0,1,0,0,0,0|3,0,0]=4 822 B7R0.4 CC(F)COCCF 34a_100015925927_100011217306 [0,1,0,0,0,0|1,2,0]=4 823 B7R0.4 CC(F)COCCO 34a_100015925927_100000211926 [0,1,0,0,0,0|2,1,0]=4 824 B7R0.4 CC(O)CNCC#N 2230a_100000210904_100011215382 [0,1,0,0,0,0|2,0,1]=4 825 B7R0.4 CC(O)CNCC=O 2230a_100000210904_200015260668 [0,1,0,0,0,0|2,0,1]=4 826 B7R0.4 CC(O)CNCC=O 34a_100000210904_200009817547 [0,1,0,0,0,0|2,0,1]=4 827 B7R0.4 CC(O)CNCCF 2230a_100000210904_100011217306 [0,1,0,0,0,0|1,1,0]=3 828 B7R0.4 CC(O)CNCCF 34a_100000210904_100011217306 [0,1,0,0,0,0|1,1,0]=3 829 B7R0.4 CC(O)CNCCF 34a_100000724931_100011218427 [0,1,0,0,0,0|1,1,0]=3 830 B7R0.4 CC(O)CNCCO 2230a_100000210904_100000211926 [0,1,0,0,0,0|2,0,0]=3 831 B7R0.4 CC(O)CNCCO 2230a_100016997473_100011218427 [0,1,0,0,0,0|2,0,0]=3 832 B7R0.4 CC(O)CNCCO 34a_100000210904_100000211926 [0,1,0,0,0,0|2,0,0]=3 833 B7R0.4 CC(O)CNCCO 34a_100016990907_100011218427 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.4 CC(O)COCCBr 34a_100000211926_100011218427 [0,1,0,0,0,0|2,1,0]=4 835 B7R0.4 CC(O)COCCN 34a_100000210304_100011218427 [0,1,0,0,0,0|3,0,0]=4 836 B7R0.4 CC(O)CSCCF 62a_100011217306_100011218427 [0,1,0,0,0,0|2,1,0]=4 837 B7R0.4 CC(O)CSCCF 62a_100011218427_100011217306 [0,1,0,0,0,0|2,1,0]=4 838 B7R0.4 CC(O)CSCCO 62a_100000211926_100011218427 [0,1,0,0,0,0|3,0,0]=4 839 B7R0.4 CC(O)CSCCO 62a_100011218427_100000211926 [0,1,0,0,0,0|3,0,0]=4 840 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [0,1,0,0,0,0|2,0,1]=4 841 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [0,1,0,0,0,0|2,0,1]=4 842 B7R0.4 CCCNCC(C)C 2230a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 843 B7R0.4 CCCNCC(C)C 270004a_100020643023_100000210432 [0,1,0,0,0,0|2,0,0]=3 844 B7R0.4 CCCNCC(C)C 34a_100000210953_100000210303 [0,1,0,0,0,0|2,0,0]=3 845 B7R0.4 CCCNCC(C)O 2230a_100000210904_100000210303 [0,1,0,0,0,0|2,0,0]=3 846 B7R0.4 CCCNCC(C)O 34a_100000210904_100000210303 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.4 CCCNCC(F)F 34a_100000765723_100000210303 [0,1,0,0,0,0|1,1,0]=3 848 B7R0.4 CCCOCC(C)Br 34a_100012180447_100000210303 [0,1,0,0,0,0|2,1,0]=4 849 B7R0.4 CCCOCC(C)C 34a_100000210257_100000210303 [0,1,0,0,0,0|3,0,0]=4 850 B7R0.4 CCCOCC(C)C 34a_100000210258_100000210624 [0,1,0,0,0,0|3,0,0]=4 851 B7R0.4 CCCOCC(C)F 34a_100015925927_100000210303 [0,1,0,0,0,0|2,1,0]=4 852 B7R0.4 CCCOCC(C)O 34a_100000210258_100011218427 [0,1,0,0,0,0|3,0,0]=4 853 B7R0.4 CCCOCC(F)F 34a_100000210258_100011934356 [0,1,0,0,0,0|2,1,0]=4 854 B7R0.4 CCCOCC(F)F 34a_100000743014_100000210303 [0,1,0,0,0,0|2,1,0]=4 855 B7R0.4 CCCOC[C@@H](C)Cl 34a_100016084084_100000210303 [0,1,0,0,0,0|2,0,0]=3 856 B7R0.4 CCCOC[C@@H](C)N 34a_100000737577_100000210303 [0,1,0,0,0,0|3,0,0]=4 857 B7R0.4 CCCOC[C@@H](C)O 34a_100000210258_100009817552 [0,1,0,0,0,0|3,0,0]=4 858 B7R0.4 CCCSCC(C)C 62a_100000210303_100000210760 [0,1,0,0,0,0|3,0,0]=4 859 B7R0.4 CCCSCC(C)C 62a_100000210624_100000210303 [0,1,0,0,0,0|3,0,0]=4 860 B7R0.4 CCCSCC(C)O 62a_100000210303_100011218427 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.4 CCCSCC(C)O 62a_100011218427_100000210303 [0,1,0,0,0,0|3,0,0]=4 862 B7R0.4 CCCSCC(F)F 62a_100000210303_100011934356 [0,1,0,0,0,0|2,1,0]=4 863 B7R0.4 CCCSCC(F)F 62a_100011934356_100000210303 [0,1,0,0,0,0|2,1,0]=4 864 B7R0.4 CCCSC[C@@H](C)O 62a_100000210303_100009817552 [0,1,0,0,0,0|3,0,0]=4 865 B7R0.4 CCCSC[C@@H](C)O 62a_100009817552_100000210303 [0,1,0,0,0,0|3,0,0]=4 866 B7R0.4 COCNCC(C)C 2230a_100000210953_100000766300 [0,1,0,0,0,0|3,0,0]=4 867 B7R0.4 COCNCC(C)O 2230a_100000210904_100000766300 [0,1,0,0,0,0|3,0,0]=4 868 B7R0.4 CSCNCC(C)C 2230a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 869 B7R0.4 CSCNCC(C)C 34a_100000210953_100011218213 [0,1,0,0,0,0|3,0,0]=4 870 B7R0.4 CSCNCC(C)O 2230a_100000210904_100011218213 [0,1,0,0,0,0|3,0,0]=4 871 B7R0.4 CSCNCC(C)O 34a_100000210904_100011218213 [0,1,0,0,0,0|3,0,0]=4 872 B7R0.4 CSCNCC(F)F 34a_100000765723_100011218213 [0,1,0,0,0,0|2,1,0]=4 873 B7R0.4 CSCOC[C@@H](C)Cl 34a_100016084084_100011218213 [0,1,0,0,0,0|3,0,0]=4 874 B7R0.4 C[C@@H](Cl)COCC=O 34a_100016084084_200009817547 [0,1,0,0,0,0|2,0,1]=4 875 B7R0.4 C[C@@H](Cl)COCCF 34a_100016084084_100011217306 [0,1,0,0,0,0|1,1,0]=3 876 B7R0.4 C[C@@H](Cl)COCCO 34a_100016084084_100000211926 [0,1,0,0,0,0|2,0,0]=3 877 B7R0.4 C[C@@H](N)COCCF 34a_100000737577_100011217306 [0,1,0,0,0,0|2,1,0]=4 878 B7R0.4 C[C@@H](N)COCCO 34a_100000737577_100000211926 [0,1,0,0,0,0|3,0,0]=4 879 B7R0.4 C[C@@H](O)CNCCF 34a_100000724931_100009817552 [0,1,0,0,0,0|1,1,0]=3 880 B7R0.4 C[C@@H](O)CNCCO 2230a_100016997473_100009817552 [0,1,0,0,0,0|2,0,0]=3 881 B7R0.4 C[C@@H](O)CNCCO 34a_100016990907_100009817552 [0,1,0,0,0,0|2,0,0]=3 882 B7R0.4 C[C@@H](O)COCCBr 34a_100000211926_100009817552 [0,1,0,0,0,0|2,1,0]=4 883 B7R0.4 C[C@@H](O)COCCN 34a_100000210304_100009817552 [0,1,0,0,0,0|3,0,0]=4 884 B7R0.4 C[C@@H](O)CSCCF 62a_100009817552_100011217306 [0,1,0,0,0,0|2,1,0]=4 885 B7R0.4 C[C@@H](O)CSCCF 62a_100011217306_100009817552 [0,1,0,0,0,0|2,1,0]=4 886 B7R0.4 C[C@@H](O)CSCCO 62a_100000211926_100009817552 [0,1,0,0,0,0|3,0,0]=4 887 B7R0.4 C[C@@H](O)CSCCO 62a_100009817552_100000211926 [0,1,0,0,0,0|3,0,0]=4 888 B7R0.4 FC(F)COCCBr 34a_100000211926_100011934356 [0,1,0,0,0,0|1,2,0]=4 889 B7R0.4 FCCNCC(F)F 34a_100000724931_100011934356 [0,1,0,0,0,0|0,2,0]=3 890 B7R0.4 FCCNCC(F)F 34a_100000765723_100011217306 [0,1,0,0,0,0|0,2,0]=3 891 B7R0.4 FCCOCC(F)F 34a_100000743014_100011217306 [0,1,0,0,0,0|1,2,0]=4 892 B7R0.4 FCCSCC(F)F 62a_100011217306_100011934356 [0,1,0,0,0,0|1,2,0]=4 893 B7R0.4 FCCSCC(F)F 62a_100011934356_100011217306 [0,1,0,0,0,0|1,2,0]=4 894 B7R0.4 NC(=O)CNCCF 2230a_100000711301_100011217306 [0,1,0,0,0,0|1,1,1]=4 895 B7R0.4 NC(=O)CNCCF 34a_100000724931_100000187820 [0,1,0,0,0,0|1,1,1]=4 896 B7R0.4 NC(=O)CNCCO 2230a_100000711301_100000211926 [0,1,0,0,0,0|2,0,1]=4 897 B7R0.4 NC(=O)CNCCO 2230a_100016997473_100000747473 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.4 NC(=O)CNCCO 34a_100016990907_100000187820 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.4 NCCOCC(F)F 34a_100000210304_100011934356 [0,1,0,0,0,0|2,1,0]=4 900 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [0,1,0,0,0,0|1,1,1]=4 901 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.4 O=C([O-])CNCCF 34a_100000724931_100020667443 [0,1,0,0,0,0|1,1,1]=4 903 B7R0.4 O=C([O-])CNCCO 34a_100016990907_100020667443 [0,1,0,0,0,0|2,0,1]=4 904 B7R0.4 O=CCNCC(F)F 34a_100000765723_200009817547 [0,1,0,0,0,0|1,1,1]=4 905 B7R0.4 O=[N+]([O-])CNCCF 34a_100000724931_100000761209 [0,1,0,0,0,0|2,1,0]=4 906 B7R0.4 O=[N+]([O-])CNCCO 34a_100016990907_100000761209 [0,1,0,0,0,0|3,0,0]=4 907 B7R0.4 OCCNCC(F)F 2230a_100016997473_100011934356 [0,1,0,0,0,0|1,1,0]=3 908 B7R0.4 OCCNCC(F)F 34a_100000765723_100000211926 [0,1,0,0,0,0|1,1,0]=3 909 B7R0.4 OCCNCC(F)F 34a_100016990907_100011934356 [0,1,0,0,0,0|1,1,0]=3 910 B7R0.4 OCCOCC(F)F 34a_100000743014_100000211926 [0,1,0,0,0,0|2,1,0]=4 911 B7R0.4 OCCSCC(F)F 62a_100000211926_100011934356 [0,1,0,0,0,0|2,1,0]=4 912 B7R0.4 OCCSCC(F)F 62a_100011934356_100000211926 [0,1,0,0,0,0|2,1,0]=4 913 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 914 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [0,1,0,0,0,0|2,0,1]=4 915 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [0,1,0,0,0,0|2,0,1]=4 916 B7R0.7 C#CCN(C)CCF 2230a_100000225692_100011217306 [0,1,0,0,0,0|1,1,1]=4 917 B7R0.7 C#CCN(C)CCF 34a_100000225692_100011217306 [0,1,0,0,0,0|1,1,1]=4 918 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [0,1,0,0,0,0|2,0,1]=4 919 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [0,1,0,0,0,0|2,0,1]=4 920 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [0,1,0,0,0,0|2,0,1]=4 921 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 922 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 923 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [0,1,0,0,0,0|1,1,1]=4 926 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [0,1,0,0,0,0|1,1,1]=4 927 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [0,1,0,0,0,0|2,0,1]=4 929 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [0,1,0,0,0,0|3,0,0]=4 932 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [0,1,0,0,0,0|2,1,0]=4 933 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [0,1,0,0,0,0|3,0,0]=4 934 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [0,1,0,0,0,0|3,0,0]=4 935 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [0,1,0,0,0,0|2,0,1]=4 936 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [0,1,0,0,0,0|2,0,1]=4 937 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [0,1,0,0,0,0|2,0,1]=4 938 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 939 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [0,1,0,0,0,0|2,0,1]=4 940 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 942 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [0,1,0,0,0,0|2,0,0]=3 943 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [0,1,0,0,0,0|1,1,0]=3 945 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [0,1,0,0,0,0|1,1,0]=3 946 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [0,1,0,0,0,0|2,0,0]=3 947 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [0,1,0,0,0,0|2,0,0]=3 948 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [0,1,0,0,0,0|2,0,0]=3 949 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [0,1,0,0,0,0|2,0,0]=3 950 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [0,1,0,0,0,0|2,0,0]=3 951 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [0,1,0,0,0,0|2,0,0]=3 952 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 953 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,1,0,0,0,0|3,0,0]=4 954 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 955 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [0,1,0,0,0,0|3,0,0]=4 956 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 957 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [0,1,0,0,0,0|2,0,0]=3 958 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [0,1,0,0,0,0|2,0,0]=3 959 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [0,1,0,0,0,0|2,0,0]=3 960 B7R0.7 CN(CC#N)CCF 2230a_100000748184_100011217306 [0,1,0,0,0,0|1,1,1]=4 961 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [0,1,0,0,0,0|2,0,1]=4 962 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [0,1,0,0,0,0|2,0,1]=4 963 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 965 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [0,1,0,0,0,0|2,0,1]=4 966 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [0,1,0,0,0,0|1,1,0]=3 967 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [0,1,0,0,0,0|1,1,0]=3 968 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [0,1,0,0,0,0|2,0,0]=3 969 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [0,1,0,0,0,0|2,0,0]=3 970 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [0,1,0,0,0,0|2,0,0]=3 971 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [0,1,0,0,0,0|2,0,0]=3 972 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,1,0,0,0,0|3,0,0]=4 973 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,1,0,0,0,0|3,0,0]=4 974 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 975 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [0,1,0,0,0,0|3,0,0]=4 976 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [0,1,0,0,0,0|2,1,0]=4 977 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [0,1,0,0,0,0|3,0,0]=4 978 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [0,1,0,0,0,0|2,0,0]=3 979 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [0,1,0,0,0,0|2,0,0]=3 980 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [0,0,0,1,0,0|2,0,1]=4 981 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [0,0,0,1,0,0|2,0,0]=3 982 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,0,0,1,0,0|3,0,0]=4 983 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [0,0,0,1,0,0|3,0,0]=4 984 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [0,0,0,1,0,0|1,1,0]=3 985 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [0,0,0,1,0,0|2,0,1]=4 986 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [0,0,0,1,0,0|2,0,1]=4 987 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [0,0,0,1,0,0|2,0,0]=3 988 B7R1.7 BrCCOC1CC1 34a_100000211926_100000211595 [0,0,0,1,0,0|2,1,0]=4 989 B7R1.7 C#CCNC1CC1 34a_100000212008_100000184674 [0,0,0,1,0,0|2,0,1]=4 990 B7R1.7 C#CCNC1CC1 34a_100000212058_100000211595 [0,0,0,1,0,0|2,0,1]=4 991 B7R1.7 C=CCNC1CC1 34a_100000212008_100015514636 [0,0,0,1,0,0|2,0,1]=4 992 B7R1.7 CCCNC1CC1 34a_100000212008_100000210303 [0,0,0,1,0,0|2,0,0]=3 993 B7R1.7 CCCOC1CC1 34a_100000210258_100000211595 [0,0,0,1,0,0|3,0,0]=4 994 B7R1.7 CCCSC1CC1 62a_100000210303_100000211595 [0,0,0,1,0,0|3,0,0]=4 995 B7R1.7 CSCNC1CC1 34a_100000212008_100011218213 [0,0,0,1,0,0|3,0,0]=4 996 B7R1.7 FCCNC1CC1 34a_100000212008_100011217306 [0,0,0,1,0,0|1,1,0]=3 997 B7R1.7 FCCNC1CC1 34a_100000724931_100000211595 [0,0,0,1,0,0|1,1,0]=3 998 B7R1.7 FCCSC1CC1 62a_100011217306_100000211595 [0,0,0,1,0,0|2,1,0]=4 999 B7R1.7 NCCOC1CC1 34a_100000210304_100000211595 [0,0,0,1,0,0|3,0,0]=4 1000 B7R1.7 O=CCNC1CC1 34a_100000212008_200009817547 [0,0,0,1,0,0|2,0,1]=4 1001 B7R1.7 OCCNC1CC1 34a_100000212008_100000211926 [0,0,0,1,0,0|2,0,0]=3 1002 B7R1.7 OCCNC1CC1 34a_100016990907_100000211595 [0,0,0,1,0,0|2,0,0]=3 1003 B7R1.7 OCCSC1CC1 62a_100000211926_100000211595 [0,0,0,1,0,0|3,0,0]=4 1004 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [2,0,0,0,0,0|1,0,1]=4 1005 B4R0.2 C#CCNC 34a_100000212058_200000210301 [2,0,0,0,0,0|1,0,1]=4 1006 B4R0.2 C#CCNC 34a_100102657272_100000184674 [2,0,0,0,0,0|1,0,1]=4 1007 B4R0.2 C#CCNC 7a_106832991635_100000038162 [2,0,0,0,0,0|1,0,1]=4 1008 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [2,0,0,0,0,0|1,0,1]=4 1009 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|1,0,1]=4 1010 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|1,0,1]=4 1011 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|1,0,1]=4 1012 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|1,0,1]=4 1013 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|1,0,1]=4 1014 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1015 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 1016 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 1017 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 1018 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 1019 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 1020 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 1021 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 1022 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 1023 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 1024 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|0,0,0]=2 1025 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 1026 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|1,1,0]=4 1027 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 1028 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|1,1,0]=4 1029 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|1,1,0]=4 1030 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [2,0,0,0,0,0|1,0,1]=4 1031 B4R0.2 CNCC#N 7a_106832991635_100011215382 [2,0,0,0,0,0|1,0,1]=4 1032 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 1033 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,1]=4 1034 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,1]=4 1035 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|0,1,0]=3 1036 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|0,1,0]=3 1037 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|0,1,0]=3 1038 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|0,1,0]=3 1039 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,0]=3 1040 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 1041 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,0]=3 1042 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,0]=3 1043 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,0]=3 1044 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 1045 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 1046 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 1047 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|1,1,0]=4 1048 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|1,1,0]=4 1049 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 1050 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|2,0,0]=4 1051 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|1,1,0]=4 1052 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|1,1,0]=4 1053 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 1054 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|2,0,0]=4 1055 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|0,1,0]=3 1056 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,0]=3 1057 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,0]=3 1058 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|1,1,0]=4 1059 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 1060 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|1,1,0]=4 1061 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|1,1,0]=4 1062 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 1063 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|2,0,0]=4 1064 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 1065 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 1066 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [1,1,0,0,0,0|1,0,1]=4 1067 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1068 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [1,1,0,0,0,0|1,0,1]=4 1069 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [1,1,0,0,0,0|1,0,1]=4 1070 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [1,1,0,0,0,0|1,0,1]=4 1071 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [1,1,0,0,0,0|1,0,1]=4 1072 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [1,1,0,0,0,0|1,0,1]=4 1073 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|1,0,1]=4 1074 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1075 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|1,0,1]=4 1076 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|1,0,1]=4 1077 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|1,1,0]=4 1078 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 1079 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 1080 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|2,0,0]=4 1081 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|2,0,0]=4 1082 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 1083 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1084 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|1,0,0]=3 1085 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|1,0,0]=3 1086 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|1,0,0]=3 1088 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,1,0,0,0,0|1,1,0]=4 1089 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1090 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|1,0,0]=3 1091 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [1,1,0,0,0,0|1,0,1]=4 1092 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [1,1,0,0,0,0|1,0,1]=4 1093 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [1,1,0,0,0,0|1,0,1]=4 1094 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 1095 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,1]=4 1096 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,1,0,0,0,0|0,1,0]=3 1097 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,1,0,0,0,0|0,1,0]=3 1098 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|1,0,0]=3 1099 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 1100 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 1101 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|1,0,0]=3 1102 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|1,0,0]=3 1103 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|1,0,0]=3 1104 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 1105 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|2,0,0]=4 1106 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1107 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|2,0,0]=4 1108 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 1109 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|1,0,0]=3 1110 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1111 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1112 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|1,0,1]=4 1113 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1114 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 1115 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,1,0,0,0,0|1,0,1]=4 1116 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,1,0,0,0,0|1,0,1]=4 1117 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|1,0,0]=3 1118 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|1,0,0]=3 1119 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|1,0,0]=3 1120 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|1,0,0]=3 1121 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|2,0,0]=4 1122 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|2,0,0]=4 1123 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|1,1,0]=4 1124 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|1,1,0]=4 1125 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|2,0,0]=4 1126 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|2,0,0]=4 1127 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|2,0,0]=4 1128 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|2,0,0]=4 1129 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|2,0,0]=4 1130 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|2,0,0]=4 1131 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|2,0,0]=4 1132 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,1,0,0,0,0|1,1,0]=4 1133 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,1,0,0,0,0|2,0,0]=4 1134 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,1,0,0,0,0|2,0,0]=4 1135 B6R0.4 C#CCNC(C)C 2230a_100138425928_100000038162 [1,1,0,0,0,0|1,0,1]=4 1136 B6R0.4 C#CCNC(C)C 34a_100000212058_100000210206 [1,1,0,0,0,0|1,0,1]=4 1137 B6R0.4 C#CCNC(C)C 34a_100138425928_100000184674 [1,1,0,0,0,0|1,0,1]=4 1138 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|1,0,1]=4 1139 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|0,1,1]=4 1140 B6R0.4 C=CCNC(C)C 2230a_100020586998_100000210206 [1,1,0,0,0,0|1,0,1]=4 1141 B6R0.4 C=CCNC(C)C 2230a_100138425928_100000210623 [1,1,0,0,0,0|1,0,1]=4 1142 B6R0.4 C=CCNC(C)C 34a_100138425928_100015514636 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|0,1,1]=4 1144 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|0,1,1]=4 1145 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|0,1,1]=4 1146 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|0,1,1]=4 1147 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|1,0,1]=4 1148 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|1,0,1]=4 1149 B6R0.4 CC(C)CNCF 34a_100000210953_100015361967 [1,1,0,0,0,0|1,1,0]=4 1150 B6R0.4 CC(C)NCC#N 2230a_100138425928_100011215382 [1,1,0,0,0,0|1,0,1]=4 1151 B6R0.4 CC(C)NCC=O 2230a_100138425928_200015260668 [1,1,0,0,0,0|1,0,1]=4 1152 B6R0.4 CC(C)NCC=O 34a_100138425928_200009817547 [1,1,0,0,0,0|1,0,1]=4 1153 B6R0.4 CC(C)NCCF 2230a_100138425928_100011217306 [1,1,0,0,0,0|0,1,0]=3 1154 B6R0.4 CC(C)NCCF 34a_100000724931_100000210206 [1,1,0,0,0,0|0,1,0]=3 1155 B6R0.4 CC(C)NCCF 34a_100138425928_100011217306 [1,1,0,0,0,0|0,1,0]=3 1156 B6R0.4 CC(C)NCCO 2230a_100016997473_100000210206 [1,1,0,0,0,0|1,0,0]=3 1157 B6R0.4 CC(C)NCCO 2230a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 1158 B6R0.4 CC(C)NCCO 34a_100016990907_100000210206 [1,1,0,0,0,0|1,0,0]=3 1159 B6R0.4 CC(C)NCCO 34a_100138425928_100000211926 [1,1,0,0,0,0|1,0,0]=3 1160 B6R0.4 CC(C)OCCBr 34a_100000211926_100000210206 [1,1,0,0,0,0|1,1,0]=4 1161 B6R0.4 CC(C)OCCF 34a_100000212225_100011217306 [1,1,0,0,0,0|1,1,0]=4 1162 B6R0.4 CC(C)OCCN 34a_100000210304_100000210206 [1,1,0,0,0,0|2,0,0]=4 1163 B6R0.4 CC(C)OCCO 34a_100000212225_100000211926 [1,1,0,0,0,0|2,0,0]=4 1164 B6R0.4 CC(C)SCCF 62a_100000210206_100011217306 [1,1,0,0,0,0|1,1,0]=4 1165 B6R0.4 CC(C)SCCF 62a_100011217306_100000210206 [1,1,0,0,0,0|1,1,0]=4 1166 B6R0.4 CC(C)SCCO 62a_100000210206_100000211926 [1,1,0,0,0,0|2,0,0]=4 1167 B6R0.4 CC(C)SCCO 62a_100000211926_100000210206 [1,1,0,0,0,0|2,0,0]=4 1168 B6R0.4 CC(O)CNCF 34a_100000210904_100015361967 [1,1,0,0,0,0|1,1,0]=4 1169 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.4 CCCNC(C)C 2230a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 1174 B6R0.4 CCCNC(C)C 34a_100138425928_100000210303 [1,1,0,0,0,0|1,0,0]=3 1175 B6R0.4 CCCOC(C)C 34a_100000210258_100000210206 [1,1,0,0,0,0|2,0,0]=4 1176 B6R0.4 CCCOC(C)C 34a_100000212225_100000210303 [1,1,0,0,0,0|2,0,0]=4 1177 B6R0.4 CCCSC(C)C 62a_100000210206_100000210303 [1,1,0,0,0,0|2,0,0]=4 1178 B6R0.4 CCCSC(C)C 62a_100000210303_100000210206 [1,1,0,0,0,0|2,0,0]=4 1179 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,1]=4 1180 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.4 CCNCC(C)C 2230a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 1183 B6R0.4 CCNCC(C)C 2230a_100015525214_100000210760 [1,1,0,0,0,0|1,0,0]=3 1184 B6R0.4 CCNCC(C)C 270004a_100015525214_100000210432 [1,1,0,0,0,0|1,0,0]=3 1185 B6R0.4 CCNCC(C)C 34a_100000210953_100000210202 [1,1,0,0,0,0|1,0,0]=3 1186 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 1187 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|1,0,0]=3 1188 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,0]=3 1189 B6R0.4 CCNCC(F)F 2230a_100015525214_100011934356 [1,1,0,0,0,0|0,1,0]=3 1190 B6R0.4 CCNCC(F)F 34a_100000765723_100000210202 [1,1,0,0,0,0|0,1,0]=3 1191 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|1,0,0]=3 1192 B6R0.4 CCOCC(C)Br 34a_100012180447_100000210202 [1,1,0,0,0,0|1,1,0]=4 1193 B6R0.4 CCOCC(C)C 34a_100000210257_100000210202 [1,1,0,0,0,0|2,0,0]=4 1194 B6R0.4 CCOCC(C)C 34a_100121572206_100000210624 [1,1,0,0,0,0|2,0,0]=4 1195 B6R0.4 CCOCC(C)F 34a_100015925927_100000210202 [1,1,0,0,0,0|1,1,0]=4 1196 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|2,0,0]=4 1197 B6R0.4 CCOCC(F)F 34a_100000743014_100000210202 [1,1,0,0,0,0|1,1,0]=4 1198 B6R0.4 CCOCC(F)F 34a_100121572206_100011934356 [1,1,0,0,0,0|1,1,0]=4 1199 B6R0.4 CCOC[C@@H](C)Cl 34a_100016084084_100000210202 [1,1,0,0,0,0|1,0,0]=3 1200 B6R0.4 CCOC[C@@H](C)N 34a_100000737577_100000210202 [1,1,0,0,0,0|2,0,0]=4 1201 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|2,0,0]=4 1202 B6R0.4 CCSCC(C)C 62a_100000210202_100000210760 [1,1,0,0,0,0|2,0,0]=4 1203 B6R0.4 CCSCC(C)C 62a_100000210624_100000210202 [1,1,0,0,0,0|2,0,0]=4 1204 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|2,0,0]=4 1205 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|2,0,0]=4 1206 B6R0.4 CCSCC(F)F 62a_100000210202_100011934356 [1,1,0,0,0,0|1,1,0]=4 1207 B6R0.4 CCSCC(F)F 62a_100011934356_100000210202 [1,1,0,0,0,0|1,1,0]=4 1208 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|2,0,0]=4 1209 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|2,0,0]=4 1210 B6R0.4 COCNC(C)C 2230a_100138425928_100000766300 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.4 CSCNC(C)C 2230a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1212 B6R0.4 CSCNC(C)C 34a_100138425928_100011218213 [1,1,0,0,0,0|2,0,0]=4 1213 B6R0.4 C[C@@H](Cl)COCF 34a_100016084084_100015361967 [1,1,0,0,0,0|1,1,0]=4 1214 B6R0.4 FCNCC(F)F 34a_100000765723_100015361967 [1,1,0,0,0,0|0,2,0]=4 1215 B8R0.1 C#CCCN(C)CCC 2230a_100000747261_100000688953 [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.1 C#CCCN(C)CCC 269982a_100000747261_100000730999 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.1 C#CCCN(C)CCO 2230a_100000210263_100000688953 [0,2,0,0,0,0|2,0,0]=4 1218 B8R0.1 C#CCCN(C)CCO 269982a_100000210263_100000730999 [0,2,0,0,0,0|2,0,0]=4 1219 B8R0.1 C=CCCN(C)CCC 2230a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 1220 B8R0.1 C=CCCN(C)CCC 2230a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 1221 B8R0.1 C=CCCN(C)CCC 269982a_100000747261_100000754431 [0,2,0,0,0,0|2,0,0]=4 1222 B8R0.1 C=CCCN(C)CCC 269982a_100020639649_100000210303 [0,2,0,0,0,0|2,0,0]=4 1223 B8R0.1 C=CCCN(C)CCF 2230a_100020639649_100011217306 [0,2,0,0,0,0|1,1,0]=4 1224 B8R0.1 C=CCCN(C)CCF 269982a_100020639649_100011217306 [0,2,0,0,0,0|1,1,0]=4 1225 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [0,2,0,0,0,0|2,0,0]=4 1228 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [0,2,0,0,0,0|2,0,0]=4 1229 B8R0.1 CC(CC#N)NCCO 2230a_100016997473_100009813641 [0,2,0,0,0,0|2,0,0]=4 1230 B8R0.1 CC(CCCCl)OCF 34a_200000718107_100015361967 [0,2,0,0,0,0|1,1,0]=4 1231 B8R0.1 CC(CCCCl)OCF 7a_200000718107_100015361967 [0,2,0,0,0,0|1,1,0]=4 1232 B8R0.1 CC(CCO)NCCF 34a_100000724931_100009893172 [0,2,0,0,0,0|1,1,0]=4 1233 B8R0.1 CC(CCO)NCCO 2230a_100016997473_100009893172 [0,2,0,0,0,0|2,0,0]=4 1234 B8R0.1 CC(CCO)NCCO 34a_100016990907_100009893172 [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.1 CCCC(=O)NCCF 11a_100000724931_100000211992 [0,2,0,0,0,0|1,1,0]=4 1236 B8R0.1 CCCC(=O)NCCF 1626a_100000724931_100000211992 [0,2,0,0,0,0|1,1,0]=4 1237 B8R0.1 CCCC(=O)NCCF 240690a_100000724931_100000211992 [0,2,0,0,0,0|1,1,0]=4 1238 B8R0.1 CCCC(=O)NCCF 527a_100000724931_100000211992 [0,2,0,0,0,0|1,1,0]=4 1239 B8R0.1 CCCC(=O)NCCO 240690a_100000210304_100000211992 [0,2,0,0,0,0|2,0,0]=4 1240 B8R0.1 CCCC(=O)NCCO 527a_100000210304_100000211992 [0,2,0,0,0,0|2,0,0]=4 1241 B8R0.1 CCCC(C)NCCF 2230a_100000741246_100011217306 [0,2,0,0,0,0|1,1,0]=4 1242 B8R0.1 CCCC(C)NCCF 34a_100000724931_100000766640 [0,2,0,0,0,0|1,1,0]=4 1243 B8R0.1 CCCC(C)NCCO 2230a_100000741246_100000211926 [0,2,0,0,0,0|2,0,0]=4 1244 B8R0.1 CCCC(C)NCCO 2230a_100016997473_100000766640 [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.1 CCCC(C)NCCO 270004a_100000210304_100000211909 [0,2,0,0,0,0|2,0,0]=4 1246 B8R0.1 CCCC(C)NCCO 34a_100016990907_100000766640 [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.1 CCCCN(C)CCC 2230a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 1248 B8R0.1 CCCCN(C)CCC 2230a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.1 CCCCN(C)CCC 2230a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 1250 B8R0.1 CCCCN(C)CCC 269982a_100000207549_100000210303 [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.1 CCCCN(C)CCC 269982a_100000747261_100000210211 [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.1 CCCCN(C)CCC 269982a_200000207744_200000210301 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.1 CCCCN(C)CCF 2230a_100000207549_100011217306 [0,2,0,0,0,0|1,1,0]=4 1254 B8R0.1 CCCCN(C)CCF 269982a_100000207549_100011217306 [0,2,0,0,0,0|1,1,0]=4 1255 B8R0.1 CCCCN(C)CCO 2230a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B8R0.1 CCCCN(C)CCO 2230a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 1257 B8R0.1 CCCCN(C)CCO 2230a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.1 CCCCN(C)CCO 269982a_100000198060_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.1 CCCCN(C)CCO 269982a_100000207549_100000211926 [0,2,0,0,0,0|2,0,0]=4 1260 B8R0.1 CCCCN(C)CCO 269982a_100000210263_100000210211 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.1 CCCCN([13CH3])CCC 2230a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.1 CCCCN([13CH3])CCC 269982a_200000207744_200025704644 [0,2,0,0,0,0|2,0,0]=4 1263 B8R0.1 CCCCN([13CH3])CCO 2230a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1264 B8R0.1 CCCCN([13CH3])CCO 269982a_100000198060_200025704644 [0,2,0,0,0,0|2,0,0]=4 1265 B8R0.1 CCCN(C)CCC#N 2230a_100000176855_200000210301 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.1 CCCN(C)CCC#N 2230a_100000184479_100000210303 [0,2,0,0,0,0|2,0,0]=4 1267 B8R0.1 CCCN(C)CCC#N 2230a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.1 CCCN(C)CCC#N 269982a_100000747261_100011215226 [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.1 CCCN(C)CCCF 2230a_100000747261_100011934791 [0,2,0,0,0,0|1,1,0]=4 1270 B8R0.1 CCCN(C)CCCF 269982a_100000747261_100011934791 [0,2,0,0,0,0|1,1,0]=4 1271 B8R0.1 CCCN(C)CCCO 2230a_100000213112_100000210303 [0,2,0,0,0,0|2,0,0]=4 1272 B8R0.1 CCCN(C)CCCO 2230a_100000747261_100000230001 [0,2,0,0,0,0|2,0,0]=4 1273 B8R0.1 CCCN(C)CCCO 269982a_100000213112_100000210303 [0,2,0,0,0,0|2,0,0]=4 1274 B8R0.1 CCCN(C)CCCO 269982a_100000747261_100011215043 [0,2,0,0,0,0|2,0,0]=4 1275 B8R0.1 CCCN(C)CCOC 2230a_100000743101_100000210303 [0,2,0,0,0,0|2,0,0]=4 1276 B8R0.1 CCCN(C)CCOC 2230a_100000747261_100011201679 [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.1 CCCN(C)CCOC 2230a_200011192371_200000210301 [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.1 CCCN(C)CCOC 269982a_100000743101_100000210303 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.1 CCCN(C)CCOC 269982a_100000747261_100000233755 [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.1 CCCN(C)CCOC 269982a_200011192371_200000210301 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.1 CCCN(C)CCSC 2230a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.1 CCCN(C)CCSC 2230a_100000747261_100000751147 [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.1 CCCN(C)CCSC 269982a_100000686725_100000210303 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.1 CCCN(C)CCSC 269982a_100000747261_100000212216 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.1 CCCN(C)COCC 269982a_100000747261_100000739092 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.1 CCCN([13CH3])CCC#N 2230a_100000176855_200025704644 [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.1 CCCN([13CH3])CCOC 2230a_200011192371_200025704644 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.1 CCCN([13CH3])CCOC 269982a_200011192371_200025704644 [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1292 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.1 CCCNC(C)CCC 2230a_100000741246_100000210303 [0,2,0,0,0,0|2,0,0]=4 1295 B8R0.1 CCCNC(C)CCC 270004a_100020643023_100000211909 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.1 CCCNC(C)COC 270004a_100020643023_100000749346 [0,2,0,0,0,0|2,0,0]=4 1297 B8R0.1 CCCNC(C)CSC 270004a_100020643023_100011216314 [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.1 CCCN[C@@H](C)CC#N 2230a_100016994482_100000210303 [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.1 CCCN[C@H](C)CCO 2230a_100000706166_100000210303 [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.1 CCCN[C@H](C)CCO 34a_100000706166_100000210303 [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.1 CCCN[C@H](C)COC 2230a_100000764878_100000210303 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.1 CCOC(C)CCCCl 34a_200000718107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1303 B8R0.1 CCOC(C)CCCCl 7a_200000718107_100000210202 [0,2,0,0,0,0|2,0,0]=4 1304 B8R0.1 CCOCN(C)CCO 269982a_100000210263_100000739092 [0,2,0,0,0,0|2,0,0]=4 1305 B8R0.1 CN(CCF)CCC#N 2230a_100000184479_100011217306 [0,2,0,0,0,0|1,1,0]=4 1306 B8R0.1 CN(CCF)CCCO 2230a_100000213112_100011217306 [0,2,0,0,0,0|1,1,0]=4 1307 B8R0.1 CN(CCF)CCCO 269982a_100000213112_100011217306 [0,2,0,0,0,0|1,1,0]=4 1308 B8R0.1 CN(CCO)CCC#N 2230a_100000184479_100000211926 [0,2,0,0,0,0|2,0,0]=4 1309 B8R0.1 CN(CCO)CCC#N 2230a_100000210263_100011215226 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.1 CN(CCO)CCC#N 269982a_100000210263_100011215226 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.1 CN(CCO)CCCF 2230a_100000210263_100011934791 [0,2,0,0,0,0|1,1,0]=4 1312 B8R0.1 CN(CCO)CCCF 269982a_100000210263_100011934791 [0,2,0,0,0,0|1,1,0]=4 1313 B8R0.1 CN(CCO)CCCO 2230a_100000210263_100000230001 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.1 CN(CCO)CCCO 2230a_100000213112_100000211926 [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.1 CN(CCO)CCCO 2230a_200000212863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.1 CN(CCO)CCCO 269982a_100000210263_100011215043 [0,2,0,0,0,0|2,0,0]=4 1317 B8R0.1 CN(CCO)CCCO 269982a_100000213112_100000211926 [0,2,0,0,0,0|2,0,0]=4 1318 B8R0.1 CN(CCO)CCCO 269982a_200000212863_200000210301 [0,2,0,0,0,0|2,0,0]=4 1319 B8R0.1 COCC(C)NCCF 34a_100000724931_100000765312 [0,2,0,0,0,0|1,1,0]=4 1320 B8R0.1 COCC(C)NCCO 2230a_100016997473_100000765312 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.1 COCC(C)NCCO 270004a_100000210304_100000749346 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.1 COCC(C)NCCO 34a_100016990907_100000765312 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.1 COCCN(C)CCF 2230a_100000743101_100011217306 [0,2,0,0,0,0|1,1,0]=4 1324 B8R0.1 COCCN(C)CCF 269982a_100000743101_100011217306 [0,2,0,0,0,0|1,1,0]=4 1325 B8R0.1 COCCN(C)CCO 2230a_100000210263_100011201679 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.1 COCCN(C)CCO 2230a_100000743101_100000211926 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.1 COCCN(C)CCO 269982a_100000210263_100000233755 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.1 COCCN(C)CCO 269982a_100000743101_100000211926 [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.1 COC[C@@H](C)NCCF 2230a_100000764878_100011217306 [0,2,0,0,0,0|1,1,0]=4 1330 B8R0.1 COC[C@@H](C)NCCO 2230a_100000764878_100000211926 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.1 CSCC(C)NCCO 270004a_100000210304_100011216314 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.1 CSCCN(C)CCF 2230a_100000686725_100011217306 [0,2,0,0,0,0|1,1,0]=4 1333 B8R0.1 CSCCN(C)CCF 269982a_100000686725_100011217306 [0,2,0,0,0,0|1,1,0]=4 1334 B8R0.1 CSCCN(C)CCO 2230a_100000210263_100000751147 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.1 CSCCN(C)CCO 2230a_100000686725_100000211926 [0,2,0,0,0,0|2,0,0]=4 1336 B8R0.1 CSCCN(C)CCO 269982a_100000210263_100000212216 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.1 CSCCN(C)CCO 269982a_100000686725_100000211926 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.1 C[C@@H](CC#N)NCCF 2230a_100016994482_100011217306 [0,2,0,0,0,0|1,1,0]=4 1339 B8R0.1 C[C@@H](CC#N)NCCO 2230a_100016994482_100000211926 [0,2,0,0,0,0|2,0,0]=4 1340 B8R0.1 C[C@H](CCO)NCCF 2230a_100000706166_100011217306 [0,2,0,0,0,0|1,1,0]=4 1341 B8R0.1 C[C@H](CCO)NCCF 34a_100000706166_100011217306 [0,2,0,0,0,0|1,1,0]=4 1342 B8R0.1 C[C@H](CCO)NCCO 2230a_100000706166_100000211926 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.1 C[C@H](CCO)NCCO 34a_100000706166_100000211926 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.1 O=C(CCO)NCCF 240690a_100000724931_100011216618 [0,2,0,0,0,0|1,1,0]=4 1345 B8R0.1 O=C(CCO)NCCO 240690a_100000210304_100011216618 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.1 [13CH3]N(CCO)CCCO 2230a_200000212863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.1 [13CH3]N(CCO)CCCO 269982a_200000212863_200025704644 [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.4 C#CCCCNCCC 34a_100000718082_100000210303 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.4 C#CCCCNCCF 34a_100000718082_100011217306 [0,2,0,0,0,0|1,1,0]=4 1350 B8R0.4 C#CCCCNCCF 34a_100000724931_100000695029 [0,2,0,0,0,0|1,1,0]=4 1351 B8R0.4 C#CCCCNCCO 2230a_100016997473_100000731252 [0,2,0,0,0,0|2,0,0]=4 1352 B8R0.4 C#CCCCNCCO 34a_100000718082_100000211926 [0,2,0,0,0,0|2,0,0]=4 1353 B8R0.4 C#CCCCNCCO 34a_100016990907_100000695029 [0,2,0,0,0,0|2,0,0]=4 1354 B8R0.4 C#CCCNCCC#C 34a_100000755551_100000688953 [0,2,0,0,0,0|2,0,0]=4 1355 B8R0.4 C#CCCNCCC=C 2230a_100015191253_100000688953 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.4 C#CCCNCCC=C 34a_100000755551_100000754431 [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.4 C#CCCNCCCC 2230a_100000102301_100000688953 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.4 C#CCCNCCCC 34a_100000755551_100000210210 [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.4 C#CCCNCCCC 7a_106832991798_100000688953 [0,2,0,0,0,0|2,0,0]=4 1360 B8R0.4 C#CCCNCCCF 2230a_100015189416_100000688953 [0,2,0,0,0,0|1,1,0]=4 1361 B8R0.4 C#CCCNCCCF 34a_100000755551_100011934791 [0,2,0,0,0,0|1,1,0]=4 1362 B8R0.4 C#CCCNCCCF 34a_100015189416_100000688953 [0,2,0,0,0,0|1,1,0]=4 1363 B8R0.4 C#CCCNCCCO 34a_100000755551_100000230001 [0,2,0,0,0,0|2,0,0]=4 1364 B8R0.4 C#CCCNCCOC 2230a_100000209980_100000688953 [0,2,0,0,0,0|2,0,0]=4 1365 B8R0.4 C#CCCNCCOC 34a_100000755551_100011201679 [0,2,0,0,0,0|2,0,0]=4 1366 B8R0.4 C#CCCNCCSC 2230a_100020590264_100000688953 [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.4 C#CCCNCCSC 34a_100000755551_100000212216 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.4 C#CCCOCCCCl 34a_100000230001_100000688953 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.4 C#CCOCCCCCl 34a_100000210776_100000184674 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.4 C#CCOCCCCCl 7a_100000210776_100000038162 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.4 C=CCCCNCCC 2230a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.4 C=CCCCNCCC 34a_100000700776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1373 B8R0.4 C=CCCCNCCF 2230a_100000700776_100011217306 [0,2,0,0,0,0|1,1,0]=4 1374 B8R0.4 C=CCCCNCCF 34a_100000700776_100011217306 [0,2,0,0,0,0|1,1,0]=4 1375 B8R0.4 C=CCCCNCCF 34a_100000724931_100000757094 [0,2,0,0,0,0|1,1,0]=4 1376 B8R0.4 C=CCCCNCCO 2230a_100000700776_100000211926 [0,2,0,0,0,0|2,0,0]=4 1377 B8R0.4 C=CCCCNCCO 2230a_100016997473_100011713584 [0,2,0,0,0,0|2,0,0]=4 1378 B8R0.4 C=CCCCNCCO 34a_100000700776_100000211926 [0,2,0,0,0,0|2,0,0]=4 1379 B8R0.4 C=CCCCNCCO 34a_100016990907_100000757094 [0,2,0,0,0,0|2,0,0]=4 1380 B8R0.4 C=CCCNCCC#N 2230a_100015191253_100011215226 [0,2,0,0,0,0|2,0,0]=4 1381 B8R0.4 C=CCCNCCC=C 2230a_100015191253_100000754431 [0,2,0,0,0,0|2,0,0]=4 1382 B8R0.4 C=CCCNCCCC 2230a_100000102301_100000754431 [0,2,0,0,0,0|2,0,0]=4 1383 B8R0.4 C=CCCNCCCC 2230a_100015191253_100000210211 [0,2,0,0,0,0|2,0,0]=4 1384 B8R0.4 C=CCCNCCCC 7a_106832991798_100000754431 [0,2,0,0,0,0|2,0,0]=4 1385 B8R0.4 C=CCCNCCCF 2230a_100015189416_100000754431 [0,2,0,0,0,0|1,1,0]=4 1386 B8R0.4 C=CCCNCCCF 2230a_100015191253_100011934791 [0,2,0,0,0,0|1,1,0]=4 1387 B8R0.4 C=CCCNCCCF 34a_100015189416_100000754431 [0,2,0,0,0,0|1,1,0]=4 1388 B8R0.4 C=CCCNCCCO 2230a_100015191253_100000230001 [0,2,0,0,0,0|2,0,0]=4 1389 B8R0.4 C=CCCNCCOC 2230a_100000209980_100000754431 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.4 C=CCCNCCOC 2230a_100015191253_100011201679 [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.4 C=CCCNCCSC 2230a_100015191253_100000751147 [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.4 C=CCCNCCSC 2230a_100020590264_100000754431 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.4 C=CCCOCCCCl 34a_100000230001_100000754431 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.4 C=CCOCCCCCl 34a_100000210776_100015514636 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.4 C=CCOCCCCCl 7a_100000210776_100015514636 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.4 C=COCCNCCF 34a_100000724931_100000039644 [0,2,0,0,0,0|1,1,0]=4 1397 B8R0.4 C=COCCNCCO 2230a_100016997473_100000039644 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.4 C=COCCNCCO 34a_100016990907_100000039644 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.4 CC/C=C\CNCCF 34a_100000724931_100103147603 [0,2,0,0,0,0|1,1,0]=4 1400 B8R0.4 CC/C=C\CNCCO 2230a_100016997473_100103147603 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.4 CC/C=C\CNCCO 34a_100016990907_100103147603 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.4 CCC#CCNCCF 34a_100000724931_100009813939 [0,2,0,0,0,0|1,1,0]=4 1403 B8R0.4 CCC#CCNCCO 2230a_100016997473_100009813939 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.4 CCC#CCNCCO 34a_100016990907_100009813939 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.4 CCCC=NNCCC 4a_100000740057_100000185831 [0,2,0,0,0,0|2,0,0]=4 1406 B8R0.4 CCCC=NNCCO 4a_100000210001_100000185831 [0,2,0,0,0,0|2,0,0]=4 1407 B8R0.4 CCCCCNCCC 2230a_100000209983_100000210303 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.4 CCCCCNCCF 2230a_100000209983_100011217306 [0,2,0,0,0,0|1,1,0]=4 1409 B8R0.4 CCCCCNCCF 34a_100000724931_100000718602 [0,2,0,0,0,0|1,1,0]=4 1410 B8R0.4 CCCCCNCCO 2230a_100000209983_100000211926 [0,2,0,0,0,0|2,0,0]=4 1411 B8R0.4 CCCCCNCCO 2230a_100016997473_100000210326 [0,2,0,0,0,0|2,0,0]=4 1412 B8R0.4 CCCCCNCCO 34a_100016990907_100000718602 [0,2,0,0,0,0|2,0,0]=4 1413 B8R0.4 CCCCNCCC#N 2230a_100000102301_100011215226 [0,2,0,0,0,0|2,0,0]=4 1414 B8R0.4 CCCCNCCC#N 7a_106832991798_100000184422 [0,2,0,0,0,0|2,0,0]=4 1415 B8R0.4 CCCCNCCCC 2230a_100000102301_100000210211 [0,2,0,0,0,0|2,0,0]=4 1416 B8R0.4 CCCCNCCCC 7a_106832991798_100000210211 [0,2,0,0,0,0|2,0,0]=4 1417 B8R0.4 CCCCNCCCF 2230a_100000102301_100011934791 [0,2,0,0,0,0|1,1,0]=4 1418 B8R0.4 CCCCNCCCF 2230a_100015189416_100000210211 [0,2,0,0,0,0|1,1,0]=4 1419 B8R0.4 CCCCNCCCF 34a_100015189416_100000210210 [0,2,0,0,0,0|1,1,0]=4 1420 B8R0.4 CCCCNCCCF 7a_106832991798_100011934791 [0,2,0,0,0,0|1,1,0]=4 1421 B8R0.4 CCCCNCCCO 2230a_100000102301_100000230001 [0,2,0,0,0,0|2,0,0]=4 1422 B8R0.4 CCCCNCCCO 7a_106832991798_100011215043 [0,2,0,0,0,0|2,0,0]=4 1423 B8R0.4 CCCCNCCOC 2230a_100000102301_100011201679 [0,2,0,0,0,0|2,0,0]=4 1424 B8R0.4 CCCCNCCOC 2230a_100000209980_100000210211 [0,2,0,0,0,0|2,0,0]=4 1425 B8R0.4 CCCCNCCOC 7a_106832991798_100000233755 [0,2,0,0,0,0|2,0,0]=4 1426 B8R0.4 CCCCNCCSC 2230a_100000102301_100000751147 [0,2,0,0,0,0|2,0,0]=4 1427 B8R0.4 CCCCNCCSC 2230a_100020590264_100000210211 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.4 CCCCNCCSC 7a_106832991798_100000212216 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.4 CCCCOCCCCl 34a_100000230001_100000210210 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.4 CCCNCCCCO 2230a_100000750430_100000210303 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.4 CCCNCCCCO 34a_100000750430_100000210303 [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.4 CCCNCCCOC 34a_100150723488_100000210303 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.4 CCCNCCCSC 2230a_100000749238_100000210303 [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.4 CCCNCCOCC 2230a_102516460346_100000210303 [0,2,0,0,0,0|2,0,0]=4 1435 B8R0.4 CCCNCCOCC 34a_102516460346_100000210303 [0,2,0,0,0,0|2,0,0]=4 1436 B8R0.4 CCCNCCSCC 2230a_100000106463_100000210303 [0,2,0,0,0,0|2,0,0]=4 1437 B8R0.4 CCCOCC#CCCl 34a_200000047223_100000210303 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.4 CCCOCCCCCl 34a_100000210776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1439 B8R0.4 CCCOCCCCCl 7a_100000210776_100000210303 [0,2,0,0,0,0|2,0,0]=4 1440 B8R0.4 CCOCCCCCCl 34a_100000746330_100000210202 [0,2,0,0,0,0|2,0,0]=4 1441 B8R0.4 CCOCCCCCCl 7a_100000746330_100000210202 [0,2,0,0,0,0|2,0,0]=4 1442 B8R0.4 CCOCCNCCF 2230a_102516460346_100011217306 [0,2,0,0,0,0|1,1,0]=4 1443 B8R0.4 CCOCCNCCF 34a_100000724931_100000210147 [0,2,0,0,0,0|1,1,0]=4 1444 B8R0.4 CCOCCNCCF 34a_102516460346_100011217306 [0,2,0,0,0,0|1,1,0]=4 1445 B8R0.4 CCOCCNCCO 2230a_100016997473_100011215890 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.4 CCOCCNCCO 2230a_102516460346_100000211926 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.4 CCOCCNCCO 34a_100016990907_100000210147 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.4 CCOCCNCCO 34a_102516460346_100000211926 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.4 CCOCCOCCCl 34a_100011215305_100000210202 [0,2,0,0,0,0|2,0,0]=4 1450 B8R0.4 CCOCCOCCCl 7a_100011215305_100000210202 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.4 CCSCCNCCF 2230a_100000106463_100011217306 [0,2,0,0,0,0|1,1,0]=4 1452 B8R0.4 CCSCCNCCF 34a_100000724931_100000757381 [0,2,0,0,0,0|1,1,0]=4 1453 B8R0.4 CCSCCNCCO 2230a_100000106463_100000211926 [0,2,0,0,0,0|2,0,0]=4 1454 B8R0.4 CCSCCNCCO 2230a_100016997473_100000757381 [0,2,0,0,0,0|2,0,0]=4 1455 B8R0.4 CCSCCNCCO 34a_100016990907_100000757381 [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.4 COCCCCCCCl 34a_100000766143_200000210301 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.4 COCCCCCCCl 7a_100000766143_200000210301 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.4 COCCCNCCF 34a_100000724931_100000740836 [0,2,0,0,0,0|1,1,0]=4 1459 B8R0.4 COCCCNCCF 34a_100150723488_100011217306 [0,2,0,0,0,0|1,1,0]=4 1460 B8R0.4 COCCCNCCO 2230a_100016997473_100000740836 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.4 COCCCNCCO 34a_100016990907_100000740836 [0,2,0,0,0,0|2,0,0]=4 1462 B8R0.4 COCCCNCCO 34a_100150723488_100000211926 [0,2,0,0,0,0|2,0,0]=4 1463 B8R0.4 COCCNCCC#N 2230a_100000209980_100011215226 [0,2,0,0,0,0|2,0,0]=4 1464 B8R0.4 COCCNCCCF 2230a_100000209980_100011934791 [0,2,0,0,0,0|1,1,0]=4 1465 B8R0.4 COCCNCCCF 2230a_100015189416_100011201679 [0,2,0,0,0,0|1,1,0]=4 1466 B8R0.4 COCCNCCCF 34a_100015189416_100011201679 [0,2,0,0,0,0|1,1,0]=4 1467 B8R0.4 COCCNCCCO 2230a_100000209980_100000230001 [0,2,0,0,0,0|2,0,0]=4 1468 B8R0.4 COCCNCCOC 2230a_100000209980_100011201679 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.4 COCCNCCSC 2230a_100000209980_100000751147 [0,2,0,0,0,0|2,0,0]=4 1470 B8R0.4 COCCNCCSC 2230a_100020590264_100011201679 [0,2,0,0,0,0|2,0,0]=4 1471 B8R0.4 COCCOCCCCl 34a_100000230001_100011201679 [0,2,0,0,0,0|2,0,0]=4 1472 B8R0.4 CSCCCNCCF 2230a_100000749238_100011217306 [0,2,0,0,0,0|1,1,0]=4 1473 B8R0.4 CSCCCNCCO 2230a_100000749238_100000211926 [0,2,0,0,0,0|2,0,0]=4 1474 B8R0.4 CSCCNCCC#N 2230a_100020590264_100011215226 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.4 CSCCNCCCF 2230a_100015189416_100000751147 [0,2,0,0,0,0|1,1,0]=4 1476 B8R0.4 CSCCNCCCF 2230a_100020590264_100011934791 [0,2,0,0,0,0|1,1,0]=4 1477 B8R0.4 CSCCNCCCF 34a_100015189416_100000212216 [0,2,0,0,0,0|1,1,0]=4 1478 B8R0.4 CSCCNCCCO 2230a_100020590264_100000230001 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.4 CSCCNCCSC 2230a_100020590264_100000751147 [0,2,0,0,0,0|2,0,0]=4 1480 B8R0.4 CSCCOCCCCl 34a_100000230001_100000212216 [0,2,0,0,0,0|2,0,0]=4 1481 B8R0.4 CSCOCCCCCl 34a_100000210776_100011218213 [0,2,0,0,0,0|2,0,0]=4 1482 B8R0.4 FCCCCNCCF 34a_100000724931_100000729493 [0,2,0,0,0,0|0,2,0]=4 1483 B8R0.4 FCCCNCCCF 2230a_100015189416_100011934791 [0,2,0,0,0,0|0,2,0]=4 1484 B8R0.4 FCCCNCCCF 34a_100015189416_100011934791 [0,2,0,0,0,0|0,2,0]=4 1485 B8R0.4 FCCCOCCCCl 34a_100000230001_100011934791 [0,2,0,0,0,0|1,1,0]=4 1486 B8R0.4 FCCOCC#CCCl 34a_200000047223_100011217306 [0,2,0,0,0,0|1,1,0]=4 1487 B8R0.4 FCCOCCCCCl 34a_100000210776_100011217306 [0,2,0,0,0,0|1,1,0]=4 1488 B8R0.4 FCCOCCCCCl 7a_100000210776_100011217306 [0,2,0,0,0,0|1,1,0]=4 1489 B8R0.4 FCOCCCCCCl 34a_100000746330_100015361967 [0,2,0,0,0,0|1,1,0]=4 1490 B8R0.4 FCOCCCCCCl 7a_100000746330_100015361967 [0,2,0,0,0,0|1,1,0]=4 1491 B8R0.4 FCOCCOCCCl 34a_100011215305_100015361967 [0,2,0,0,0,0|1,1,0]=4 1492 B8R0.4 FCOCCOCCCl 7a_100011215305_100015361967 [0,2,0,0,0,0|1,1,0]=4 1493 B8R0.4 N#CCCCNCCO 2230a_100016997473_100000687738 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.4 N#CCCNCCCF 2230a_100015189416_100011215226 [0,2,0,0,0,0|1,1,0]=4 1495 B8R0.4 N#CCOCCCCCl 7a_100000210776_100011215382 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.4 O=CCCCNCCO 2230a_100016997473_200011292268 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.4 O=CCOCCCCCl 34a_100000210776_200009817547 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.4 O=CCOCCCCCl 7a_100000210776_200015260668 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.4 OCC#CCNCCF 34a_100000724931_200000047223 [0,2,0,0,0,0|1,1,0]=4 1500 B8R0.4 OCC#CCNCCO 2230a_100016997473_200000047223 [0,2,0,0,0,0|2,0,0]=4 1501 B8R0.4 OCC#CCNCCO 34a_100016990907_200000047223 [0,2,0,0,0,0|2,0,0]=4 1502 B8R0.4 OCCCCNCCF 2230a_100000750430_100011217306 [0,2,0,0,0,0|1,1,0]=4 1503 B8R0.4 OCCCCNCCF 34a_100000724931_100011216708 [0,2,0,0,0,0|1,1,0]=4 1504 B8R0.4 OCCCCNCCF 34a_100000750430_100011217306 [0,2,0,0,0,0|1,1,0]=4 1505 B8R0.4 OCCCCNCCO 2230a_100000750430_100000211926 [0,2,0,0,0,0|2,0,0]=4 1506 B8R0.4 OCCCCNCCO 2230a_100016997473_100000210776 [0,2,0,0,0,0|2,0,0]=4 1507 B8R0.4 OCCCCNCCO 34a_100000750430_100000211926 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.4 OCCCCNCCO 34a_100016990907_100011216708 [0,2,0,0,0,0|2,0,0]=4 1509 B8R0.4 OCCCNCCCF 2230a_100015189416_100000230001 [0,2,0,0,0,0|1,1,0]=4 1510 B8R0.4 OCCCNCCCF 34a_100015189416_100000230001 [0,2,0,0,0,0|1,1,0]=4 1511 B8R0.4 OCCCOCCCCl 34a_100000230001_100000230001 [0,2,0,0,0,0|2,0,0]=4 1512 B8R0.4 OCCNCCCCF 2230a_100016997473_100000729493 [0,2,0,0,0,0|1,1,0]=4 1513 B8R0.4 OCCNCCCCF 34a_100016990907_100000729493 [0,2,0,0,0,0|1,1,0]=4 1514 B8R0.4 OCCOCC#CCCl 34a_200000047223_100000211926 [0,2,0,0,0,0|2,0,0]=4 1515 B8R0.4 OCCOCCCCCl 34a_100000210776_100000211926 [0,2,0,0,0,0|2,0,0]=4 1516 B8R0.4 OCCOCCCCCl 7a_100000210776_100000211926 [0,2,0,0,0,0|2,0,0]=4 1517 B8R0.4 [13CH3]OCCCCCCCl 34a_100000766143_200025704644 [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.4 [13CH3]OCCCCCCCl 7a_100000766143_200025704644 [0,2,0,0,0,0|2,0,0]=4 1519 B8R0.6 C#CCCNC(C)CC 2230a_100000209981_100000688953 [0,2,0,0,0,0|2,0,0]=4 1520 B8R0.6 C#CCCNC(C)CC 34a_100000755551_100011215416 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.6 C#CCCNC(C)CO 34a_100000755551_100012180447 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.6 C#CCCN[C@H](C)CO 2230a_100000737577_100000688953 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.6 C=CC(O)CNCCF 34a_100000724931_100000730141 [0,2,0,0,0,0|1,1,0]=4 1524 B8R0.6 C=CC(O)CNCCO 2230a_100016997473_100000730141 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.6 C=CC(O)CNCCO 34a_100016990907_100000730141 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.6 C=CCCNC(C)CC 2230a_100000209981_100000754431 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.6 C=CCCNC(C)CC 2230a_100015191253_100000758301 [0,2,0,0,0,0|2,0,0]=4 1528 B8R0.6 C=CCCNC(C)CO 2230a_100015191253_100012180447 [0,2,0,0,0,0|2,0,0]=4 1529 B8R0.6 C=CCCN[C@H](C)CO 2230a_100000737577_100000754431 [0,2,0,0,0,0|2,0,0]=4 1530 B8R0.6 CC(CO)CNCCF 34a_100000744482_100011217306 [0,2,0,0,0,0|1,1,0]=4 1531 B8R0.6 CC(CO)CNCCO 34a_100000744482_100000211926 [0,2,0,0,0,0|2,0,0]=4 1532 B8R0.6 CC(CO)NCCCF 2230a_100015189416_100012180447 [0,2,0,0,0,0|1,1,0]=4 1533 B8R0.6 CC(CO)NCCCF 34a_100015189416_100012180447 [0,2,0,0,0,0|1,1,0]=4 1534 B8R0.6 CC(CO)OCCCCl 34a_100000230001_100012180447 [0,2,0,0,0,0|2,0,0]=4 1535 B8R0.6 CCC(C)CNCCF 2230a_100020588543_100011217306 [0,2,0,0,0,0|1,1,0]=4 1536 B8R0.6 CCC(C)CNCCF 34a_100000724931_100000748023 [0,2,0,0,0,0|1,1,0]=4 1537 B8R0.6 CCC(C)CNCCO 2230a_100016997473_100000748023 [0,2,0,0,0,0|2,0,0]=4 1538 B8R0.6 CCC(C)CNCCO 2230a_100020588543_100000211926 [0,2,0,0,0,0|2,0,0]=4 1539 B8R0.6 CCC(C)CNCCO 270004a_100000210304_100000243153 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.6 CCC(C)CNCCO 34a_100016990907_100000748023 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.6 CCC(C)NCCC#N 2230a_100000209981_100011215226 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.6 CCC(C)NCCCF 2230a_100000209981_100011934791 [0,2,0,0,0,0|1,1,0]=4 1543 B8R0.6 CCC(C)NCCCF 2230a_100015189416_100000758301 [0,2,0,0,0,0|1,1,0]=4 1544 B8R0.6 CCC(C)NCCCF 34a_100015189416_100011215416 [0,2,0,0,0,0|1,1,0]=4 1545 B8R0.6 CCC(C)NCCCO 2230a_100000209981_100000230001 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.6 CCC(C)NCCOC 2230a_100000209980_100000758301 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.6 CCC(C)NCCOC 2230a_100000209981_100011201679 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.6 CCC(C)NCCSC 2230a_100000209981_100000751147 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.6 CCC(C)NCCSC 2230a_100020590264_100000758301 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.6 CCC(C)OCCCCl 34a_100000230001_100011215416 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.6 CCC(O)CNCCF 2230a_100011218483_100011217306 [0,2,0,0,0,0|1,1,0]=4 1552 B8R0.6 CCC(O)CNCCF 34a_100000724931_100011218378 [0,2,0,0,0,0|1,1,0]=4 1553 B8R0.6 CCC(O)CNCCO 2230a_100011218483_100000211926 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.6 CCC(O)CNCCO 2230a_100016997473_100011218378 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.6 CCC(O)CNCCO 34a_100016990907_100011218378 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.6 CCCCNC(C)CC 2230a_100000102301_100000758301 [0,2,0,0,0,0|2,0,0]=4 1557 B8R0.6 CCCCNC(C)CC 2230a_100000209981_100000210211 [0,2,0,0,0,0|2,0,0]=4 1558 B8R0.6 CCCCNC(C)CC 7a_106832991798_100000758301 [0,2,0,0,0,0|2,0,0]=4 1559 B8R0.6 CCCCNC(C)CO 2230a_100000102301_100012180447 [0,2,0,0,0,0|2,0,0]=4 1560 B8R0.6 CCCCNC(C)CO 7a_106832991798_100012180447 [0,2,0,0,0,0|2,0,0]=4 1561 B8R0.6 CCCCN[C@H](C)CO 2230a_100000737577_100000210211 [0,2,0,0,0,0|2,0,0]=4 1562 B8R0.6 CCCNCC(C)CC 2230a_100020588543_100000210303 [0,2,0,0,0,0|2,0,0]=4 1563 B8R0.6 CCCNCC(C)CC 270004a_100020643023_100000243153 [0,2,0,0,0,0|2,0,0]=4 1564 B8R0.6 CCCNCC(C)CO 34a_100000744482_100000210303 [0,2,0,0,0,0|2,0,0]=4 1565 B8R0.6 CCCNCC(O)CC 2230a_100011218483_100000210303 [0,2,0,0,0,0|2,0,0]=4 1566 B8R0.6 CCCNC[C@@H](C)OC 2230a_100020591295_100000210303 [0,2,0,0,0,0|2,0,0]=4 1567 B8R0.6 CCCNC[C@@H](F)CO 34a_100015665980_100000210303 [0,2,0,0,0,0|1,1,0]=4 1568 B8R0.6 CCCNC[C@H](O)CO 2230a_100020644852_100000210303 [0,2,0,0,0,0|2,0,0]=4 1569 B8R0.6 CCCOCC(Cl)CCl 34a_100000033668_100000210303 [0,2,0,0,0,0|2,0,0]=4 1570 B8R0.6 CC[C@H](C)CNCCF 34a_100000724931_100009816398 [0,2,0,0,0,0|1,1,0]=4 1571 B8R0.6 CC[C@H](C)CNCCO 2230a_100016997473_100009816398 [0,2,0,0,0,0|2,0,0]=4 1572 B8R0.6 CC[C@H](C)CNCCO 34a_100016990907_100009816398 [0,2,0,0,0,0|2,0,0]=4 1573 B8R0.6 COCCNC(C)CO 2230a_100000209980_100012180447 [0,2,0,0,0,0|2,0,0]=4 1574 B8R0.6 COCCN[C@H](C)CO 2230a_100000737577_100011201679 [0,2,0,0,0,0|2,0,0]=4 1575 B8R0.6 CO[C@H](C)CNCCF 2230a_100020591295_100011217306 [0,2,0,0,0,0|1,1,0]=4 1576 B8R0.6 CO[C@H](C)CNCCO 2230a_100020591295_100000211926 [0,2,0,0,0,0|2,0,0]=4 1577 B8R0.6 CSCCNC(C)CO 2230a_100020590264_100012180447 [0,2,0,0,0,0|2,0,0]=4 1578 B8R0.6 CSCCN[C@H](C)CO 2230a_100000737577_100000751147 [0,2,0,0,0,0|2,0,0]=4 1579 B8R0.6 C[C@@H](CO)CNCCF 34a_100000724931_100000059175 [0,2,0,0,0,0|1,1,0]=4 1580 B8R0.6 C[C@@H](CO)CNCCO 2230a_100016997473_100000059175 [0,2,0,0,0,0|2,0,0]=4 1581 B8R0.6 C[C@@H](CO)CNCCO 34a_100016990907_100000059175 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.6 C[C@H](CO)NCCC#N 2230a_100000737577_100011215226 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.6 C[C@H](CO)NCCCF 2230a_100000737577_100011934791 [0,2,0,0,0,0|1,1,0]=4 1584 B8R0.6 C[C@H](CO)NCCCO 2230a_100000737577_100000230001 [0,2,0,0,0,0|2,0,0]=4 1585 B8R0.6 FCCOCC(Cl)CCl 34a_100000033668_100011217306 [0,2,0,0,0,0|1,1,0]=4 1586 B8R0.6 OCC(O)CNCCF 34a_100000724931_100011219619 [0,2,0,0,0,0|1,1,0]=4 1587 B8R0.6 OCCNCC(O)CO 2230a_100016997473_100011219619 [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.6 OCCNCC(O)CO 34a_100016990907_100011219619 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.6 OCCNC[C@@H](F)CO 34a_100015665980_100000211926 [0,2,0,0,0,0|1,1,0]=4 1590 B8R0.6 OCCNC[C@@H](O)CF 2230a_100016997473_100015614560 [0,2,0,0,0,0|1,1,0]=4 1591 B8R0.6 OCCNC[C@@H](O)CF 34a_100016990907_100015614560 [0,2,0,0,0,0|1,1,0]=4 1592 B8R0.6 OCCNC[C@@H](O)CO 2230a_100016997473_100009815848 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.6 OCCNC[C@@H](O)CO 34a_100016990907_100009815848 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.6 OCCNC[C@H](O)CO 2230a_100020644852_100000211926 [0,2,0,0,0,0|2,0,0]=4 1595 B8R0.6 OCCOCC(Cl)CCl 34a_100000033668_100000211926 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.6 OC[C@@H](O)CNCCF 2230a_100020644852_100011217306 [0,2,0,0,0,0|1,1,0]=4 1597 B8R0.6 OC[C@H](F)CNCCF 34a_100015665980_100011217306 [0,2,0,0,0,0|0,2,0]=4 1598 B8R0.6 OC[C@H](O)CNCCF 34a_100000724931_100009815848 [0,2,0,0,0,0|1,1,0]=4 1599 B8R0.6 O[C@@H](CF)CNCCF 34a_100000724931_100015614560 [0,2,0,0,0,0|0,2,0]=4 1600 B8R0.7 C#CCCNCC(C)C 2230a_100000210953_100000688953 [0,2,0,0,0,0|2,0,0]=4 1601 B8R0.7 C#CCCNCC(C)C 34a_100000210953_100000688953 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.7 C#CCCNCC(C)C 34a_100000755551_100000210624 [0,2,0,0,0,0|2,0,0]=4 1603 B8R0.7 C#CCCNCC(C)O 2230a_100000210904_100000688953 [0,2,0,0,0,0|2,0,0]=4 1604 B8R0.7 C#CCCNCC(C)O 34a_100000210904_100000688953 [0,2,0,0,0,0|2,0,0]=4 1605 B8R0.7 C#CCCNCC(C)O 34a_100000755551_100011218427 [0,2,0,0,0,0|2,0,0]=4 1606 B8R0.7 C#CCCNCC(F)F 34a_100000755551_100011934356 [0,2,0,0,0,0|1,1,0]=4 1607 B8R0.7 C#CCCNCC(F)F 34a_100000765723_100000688953 [0,2,0,0,0,0|1,1,0]=4 1608 B8R0.7 C#CCCNC[C@@H](C)O 34a_100000755551_100009817552 [0,2,0,0,0,0|2,0,0]=4 1609 B8R0.7 C#CCCOC[C@@H](C)Cl 34a_100016084084_100000688953 [0,2,0,0,0,0|2,0,0]=4 1610 B8R0.7 C=C(C)CCNCCF 34a_100000724931_100000730704 [0,2,0,0,0,0|1,1,0]=4 1611 B8R0.7 C=C(C)CCNCCO 2230a_100016997473_100000730704 [0,2,0,0,0,0|2,0,0]=4 1612 B8R0.7 C=C(C)CCNCCO 34a_100016990907_100000730704 [0,2,0,0,0,0|2,0,0]=4 1613 B8R0.7 C=CCCNCC(C)C 2230a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 1614 B8R0.7 C=CCCNCC(C)C 2230a_100015191253_100000210760 [0,2,0,0,0,0|2,0,0]=4 1615 B8R0.7 C=CCCNCC(C)C 270004a_100015191253_100000210432 [0,2,0,0,0,0|2,0,0]=4 1616 B8R0.7 C=CCCNCC(C)C 34a_100000210953_100000754431 [0,2,0,0,0,0|2,0,0]=4 1617 B8R0.7 C=CCCNCC(C)O 2230a_100000210904_100000754431 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.7 C=CCCNCC(C)O 2230a_100015191253_100011218427 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.7 C=CCCNCC(C)O 34a_100000210904_100000754431 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.7 C=CCCNCC(F)F 2230a_100015191253_100011934356 [0,2,0,0,0,0|1,1,0]=4 1621 B8R0.7 C=CCCNCC(F)F 34a_100000765723_100000754431 [0,2,0,0,0,0|1,1,0]=4 1622 B8R0.7 C=CCCNC[C@@H](C)O 2230a_100015191253_100009817552 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.7 C=CCCOC[C@@H](C)Cl 34a_100016084084_100000754431 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.7 CC(C)CCNCCF 269862a_100000724931_100000185833 [0,2,0,0,0,0|1,1,0]=4 1625 B8R0.7 CC(C)CCNCCF 34a_100000724931_100000210312 [0,2,0,0,0,0|1,1,0]=4 1626 B8R0.7 CC(C)CCNCCO 2230a_100016997473_100000210312 [0,2,0,0,0,0|2,0,0]=4 1627 B8R0.7 CC(C)CCNCCO 269862a_100000210304_100000185833 [0,2,0,0,0,0|2,0,0]=4 1628 B8R0.7 CC(C)CCNCCO 34a_100016990907_100000210312 [0,2,0,0,0,0|2,0,0]=4 1629 B8R0.7 CC(C)CNCCC#N 2230a_100000210953_100011215226 [0,2,0,0,0,0|2,0,0]=4 1630 B8R0.7 CC(C)CNCCC#N 270004a_100000720768_100000210432 [0,2,0,0,0,0|2,0,0]=4 1631 B8R0.7 CC(C)CNCCCF 2230a_100000210953_100011934791 [0,2,0,0,0,0|1,1,0]=4 1632 B8R0.7 CC(C)CNCCCF 2230a_100015189416_100000210760 [0,2,0,0,0,0|1,1,0]=4 1633 B8R0.7 CC(C)CNCCCF 270004a_100015189416_100000210432 [0,2,0,0,0,0|1,1,0]=4 1634 B8R0.7 CC(C)CNCCCF 34a_100000210953_100011934791 [0,2,0,0,0,0|1,1,0]=4 1635 B8R0.7 CC(C)CNCCCF 34a_100015189416_100000210624 [0,2,0,0,0,0|1,1,0]=4 1636 B8R0.7 CC(C)CNCCCO 2230a_100000210953_100000230001 [0,2,0,0,0,0|2,0,0]=4 1637 B8R0.7 CC(C)CNCCCO 270004a_100000182051_100000210432 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.7 CC(C)CNCCCO 34a_100000210953_100000230001 [0,2,0,0,0,0|2,0,0]=4 1639 B8R0.7 CC(C)CNCCO[13CH3] 34a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.7 CC(C)COCCCCl 34a_100000230001_100000210624 [0,2,0,0,0,0|2,0,0]=4 1641 B8R0.7 CC(C)OCCCCCl 34a_100000210776_100000210206 [0,2,0,0,0,0|2,0,0]=4 1642 B8R0.7 CC(C)OCCCCCl 7a_100000210776_100000210206 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.7 CC(C)OCNCCF 34a_100000724931_100000709892 [0,2,0,0,0,0|1,1,0]=4 1644 B8R0.7 CC(C)OCNCCO 2230a_100016997473_100000709892 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.7 CC(C)OCNCCO 34a_100016990907_100000709892 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.7 CC(O)CCNCCF 2230a_200000755665_100011217306 [0,2,0,0,0,0|1,1,0]=4 1647 B8R0.7 CC(O)CCNCCF 34a_100000724931_100012276601 [0,2,0,0,0,0|1,1,0]=4 1648 B8R0.7 CC(O)CCNCCO 2230a_100016997473_100012276601 [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.7 CC(O)CCNCCO 2230a_200000755665_100000211926 [0,2,0,0,0,0|2,0,0]=4 1650 B8R0.7 CC(O)CCNCCO 34a_100016990907_100012276601 [0,2,0,0,0,0|2,0,0]=4 1651 B8R0.7 CC(O)CNCCC#N 2230a_100000210904_100011215226 [0,2,0,0,0,0|2,0,0]=4 1652 B8R0.7 CC(O)CNCCCF 2230a_100000210904_100011934791 [0,2,0,0,0,0|1,1,0]=4 1653 B8R0.7 CC(O)CNCCCF 2230a_100015189416_100011218427 [0,2,0,0,0,0|1,1,0]=4 1654 B8R0.7 CC(O)CNCCCF 34a_100000210904_100011934791 [0,2,0,0,0,0|1,1,0]=4 1655 B8R0.7 CC(O)CNCCCF 34a_100015189416_100011218427 [0,2,0,0,0,0|1,1,0]=4 1656 B8R0.7 CC(O)CNCCCO 2230a_100000210904_100000230001 [0,2,0,0,0,0|2,0,0]=4 1657 B8R0.7 CC(O)CNCCCO 34a_100000210904_100000230001 [0,2,0,0,0,0|2,0,0]=4 1658 B8R0.7 CC(O)COCCCCl 34a_100000230001_100011218427 [0,2,0,0,0,0|2,0,0]=4 1659 B8R0.7 CCCCNCC(C)C 2230a_100000102301_100000210760 [0,2,0,0,0,0|2,0,0]=4 1660 B8R0.7 CCCCNCC(C)C 2230a_100000210953_100000210211 [0,2,0,0,0,0|2,0,0]=4 1661 B8R0.7 CCCCNCC(C)C 270004a_100000102301_100000210432 [0,2,0,0,0,0|2,0,0]=4 1662 B8R0.7 CCCCNCC(C)C 34a_100000210953_100000210210 [0,2,0,0,0,0|2,0,0]=4 1663 B8R0.7 CCCCNCC(C)C 7a_106832991798_100000210760 [0,2,0,0,0,0|2,0,0]=4 1664 B8R0.7 CCCCNCC(C)O 2230a_100000102301_100011218427 [0,2,0,0,0,0|2,0,0]=4 1665 B8R0.7 CCCCNCC(C)O 2230a_100000210904_100000210211 [0,2,0,0,0,0|2,0,0]=4 1666 B8R0.7 CCCCNCC(C)O 34a_100000210904_100000210210 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.7 CCCCNCC(C)O 7a_106832991798_100011218427 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.7 CCCCNCC(F)F 2230a_100000102301_100011934356 [0,2,0,0,0,0|1,1,0]=4 1669 B8R0.7 CCCCNCC(F)F 34a_100000765723_100000210210 [0,2,0,0,0,0|1,1,0]=4 1670 B8R0.7 CCCCNCC(F)F 7a_106832991798_100011934356 [0,2,0,0,0,0|1,1,0]=4 1671 B8R0.7 CCCCNC[C@@H](C)O 2230a_100000102301_100009817552 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.7 CCCCNC[C@@H](C)O 7a_106832991798_100009817552 [0,2,0,0,0,0|2,0,0]=4 1673 B8R0.7 CCCCOC[C@@H](C)Cl 34a_100016084084_100000210210 [0,2,0,0,0,0|2,0,0]=4 1674 B8R0.7 CCCNCCC(C)C 269862a_100020643023_100000185833 [0,2,0,0,0,0|2,0,0]=4 1675 B8R0.7 CCCNCCC(C)O 2230a_200000755665_100000210303 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.7 COCCNCC(C)C 2230a_100000209980_100000210760 [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.7 COCCNCC(C)C 2230a_100000210953_100011201679 [0,2,0,0,0,0|2,0,0]=4 1678 B8R0.7 COCCNCC(C)C 270004a_100000209980_100000210432 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.7 COCCNCC(C)C 34a_100000210953_100011201679 [0,2,0,0,0,0|2,0,0]=4 1680 B8R0.7 COCCNCC(C)C 34a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1681 B8R0.7 COCCNCC(C)O 2230a_100000209980_100011218427 [0,2,0,0,0,0|2,0,0]=4 1682 B8R0.7 COCCNCC(C)O 2230a_100000210904_100011201679 [0,2,0,0,0,0|2,0,0]=4 1683 B8R0.7 COCCNCC(C)O 34a_100000210904_100011201679 [0,2,0,0,0,0|2,0,0]=4 1684 B8R0.7 COCCNCC(F)F 2230a_100000209980_100011934356 [0,2,0,0,0,0|1,1,0]=4 1685 B8R0.7 COCCNCC(F)F 34a_100000765723_100011201679 [0,2,0,0,0,0|1,1,0]=4 1686 B8R0.7 COCCNC[C@@H](C)O 2230a_100000209980_100009817552 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.7 COCCOC[C@@H](C)Cl 34a_100016084084_100011201679 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.7 CSCCNCC(C)C 2230a_100000210953_100000751147 [0,2,0,0,0,0|2,0,0]=4 1689 B8R0.7 CSCCNCC(C)C 2230a_100020590264_100000210760 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.7 CSCCNCC(C)C 270004a_100020590264_100000210432 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.7 CSCCNCC(C)C 34a_100000210953_100000212216 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.7 CSCCNCC(C)O 2230a_100000210904_100000751147 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.7 CSCCNCC(C)O 2230a_100020590264_100011218427 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.7 CSCCNCC(C)O 34a_100000210904_100000212216 [0,2,0,0,0,0|2,0,0]=4 1695 B8R0.7 CSCCNCC(F)F 2230a_100020590264_100011934356 [0,2,0,0,0,0|1,1,0]=4 1696 B8R0.7 CSCCNCC(F)F 34a_100000765723_100000212216 [0,2,0,0,0,0|1,1,0]=4 1697 B8R0.7 CSCCNC[C@@H](C)O 2230a_100020590264_100009817552 [0,2,0,0,0,0|2,0,0]=4 1698 B8R0.7 CSCCOC[C@@H](C)Cl 34a_100016084084_100000212216 [0,2,0,0,0,0|2,0,0]=4 1699 B8R0.7 C[C@@H](Cl)COCCCF 34a_100016084084_100011934791 [0,2,0,0,0,0|1,1,0]=4 1700 B8R0.7 C[C@@H](Cl)COCCCO 34a_100016084084_100000230001 [0,2,0,0,0,0|2,0,0]=4 1701 B8R0.7 C[C@@H](O)CNCCCF 2230a_100015189416_100009817552 [0,2,0,0,0,0|1,1,0]=4 1702 B8R0.7 C[C@@H](O)CNCCCF 34a_100015189416_100009817552 [0,2,0,0,0,0|1,1,0]=4 1703 B8R0.7 C[C@@H](O)COCCCCl 34a_100000230001_100009817552 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.7 FC(F)COCCCCl 34a_100000230001_100011934356 [0,2,0,0,0,0|1,1,0]=4 1705 B8R0.7 FCCCNCC(F)F 2230a_100015189416_100011934356 [0,2,0,0,0,0|0,2,0]=4 1706 B8R0.7 FCCCNCC(F)F 34a_100000765723_100011934791 [0,2,0,0,0,0|0,2,0]=4 1707 B8R0.7 FCCCNCC(F)F 34a_100015189416_100011934356 [0,2,0,0,0,0|0,2,0]=4 1708 B8R0.7 NC(=O)CCNCCF 34a_100000724931_100000731001 [0,2,0,0,0,0|1,1,0]=4 1709 B8R0.7 NC(=O)CCNCCO 2230a_100016997473_100000744528 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.7 NC(=O)CCNCCO 34a_100016990907_100000731001 [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.7 OCCCNCC(F)F 34a_100000765723_100000230001 [0,2,0,0,0,0|1,1,0]=4 1712 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,2,0,0,0,0|1,1,0]=4 1713 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,2,0,0,0,0|1,1,0]=4 1714 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,2,0,0,0,0|2,0,0]=4 1715 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1716 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1717 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,2,0,0,0,0|1,1,0]=4 1718 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,2,0,0,0,0|1,1,0]=4 1719 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1720 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1721 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1722 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 1730 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1732 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,2,0,0,0,0|2,0,0]=4 1733 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,2,0,0,0,0|2,0,0]=4 1734 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,2,0,0,0,0|2,0,0]=4 1735 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1736 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,2,0,0,0,0|2,0,0]=4 1737 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1738 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,2,0,0,0,0|2,0,0]=4 1739 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,2,0,0,0,0|2,0,0]=4 1740 B8R0.8 CC(C)C(C)NCCF 2230a_100000211541_100011217306 [0,2,0,0,0,0|1,1,0]=4 1741 B8R0.8 CC(C)C(C)NCCO 2230a_100000211541_100000211926 [0,2,0,0,0,0|2,0,0]=4 1742 B8R0.8 CCCNC(C)C(C)C 2230a_100000211541_100000210303 [0,2,0,0,0,0|2,0,0]=4 1743 B8R0.9 CC(C)CNC(C)CO 2230a_100000210953_100012180447 [0,2,0,0,0,0|2,0,0]=4 1744 B8R0.9 CC(C)CNC(C)CO 34a_100000210953_100012180447 [0,2,0,0,0,0|2,0,0]=4 1745 B8R0.9 CC(C)CN[C@H](C)CF 270004a_100102880703_100000210432 [0,2,0,0,0,0|1,1,0]=4 1746 B8R0.9 CC(C)CN[C@H](C)CO 2230a_100000737577_100000210760 [0,2,0,0,0,0|2,0,0]=4 1747 B8R0.9 CC(C)CN[C@H](C)CO 270004a_100000737577_100000210432 [0,2,0,0,0,0|2,0,0]=4 1748 B8R0.9 CC(CO)NCC(F)F 34a_100000765723_100012180447 [0,2,0,0,0,0|1,1,0]=4 1749 B8R0.9 CC(CO)OC[C@@H](C)Cl 34a_100016084084_100012180447 [0,2,0,0,0,0|2,0,0]=4 1750 B8R0.9 CC(O)CNC(C)CO 2230a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 1751 B8R0.9 CC(O)CNC(C)CO 34a_100000210904_100012180447 [0,2,0,0,0,0|2,0,0]=4 1752 B8R0.9 CC(O)CN[C@H](C)CO 2230a_100000737577_100011218427 [0,2,0,0,0,0|2,0,0]=4 1753 B8R0.9 CCC(C)NCC(C)C 2230a_100000209981_100000210760 [0,2,0,0,0,0|2,0,0]=4 1754 B8R0.9 CCC(C)NCC(C)C 2230a_100000210953_100000758301 [0,2,0,0,0,0|2,0,0]=4 1755 B8R0.9 CCC(C)NCC(C)C 270004a_100000209981_100000210432 [0,2,0,0,0,0|2,0,0]=4 1756 B8R0.9 CCC(C)NCC(C)C 34a_100000210953_100011215416 [0,2,0,0,0,0|2,0,0]=4 1757 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,2,0,0,0,0|2,0,0]=4 1758 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,2,0,0,0,0|2,0,0]=4 1759 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.9 CCC(C)NCC(F)F 2230a_100000209981_100011934356 [0,2,0,0,0,0|1,1,0]=4 1761 B8R0.9 CCC(C)NCC(F)F 34a_100000765723_100011215416 [0,2,0,0,0,0|1,1,0]=4 1762 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.9 CCC(C)OC[C@@H](C)Cl 34a_100016084084_100011215416 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.9 C[C@H](CO)NCC(F)F 2230a_100000737577_100011934356 [0,2,0,0,0,0|1,1,0]=4 1765 B8R0.9 C[C@H](CO)NC[C@@H](C)O 2230a_100000737577_100009817552 [0,2,0,0,0,0|2,0,0]=4 1766 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 1767 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 1768 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,2,0,0,0,0|1,1,0]=4 1769 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|1,1,0]=4 1770 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 1771 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 1772 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,2,0,0,0,0|1,1,0]=4 1773 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,2,0,0,0,0|2,0,0]=4 1774 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,2,0,0,0,0|2,0,0]=4 1775 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|2,0,0]=4 1776 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|2,0,0]=4 1777 B8R0.11 CCCNC(CO)CO 2230a_100000759517_100000210303 [0,2,0,0,0,0|2,0,0]=4 1778 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|2,0,0]=4 1779 B8R0.11 CCCOC(CCl)CCl 7a_100000737055_100000210303 [0,2,0,0,0,0|2,0,0]=4 1780 B8R0.11 CCCO[C@@H](CF)CCl 34a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 1781 B8R0.11 CCCO[C@@H](CF)CCl 7a_100015614560_100000210303 [0,2,0,0,0,0|2,0,0]=4 1782 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,2,0,0,0,0|1,1,0]=4 1783 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,2,0,0,0,0|2,0,0]=4 1784 B8R0.11 FCCOC(CCl)CCl 7a_100000737055_100011217306 [0,2,0,0,0,0|1,1,0]=4 1785 B8R0.11 FCCO[C@@H](CF)CCl 34a_100015614560_100011217306 [0,2,0,0,0,0|1,1,0]=4 1786 B8R0.11 FCCO[C@@H](CF)CCl 7a_100015614560_100011217306 [0,2,0,0,0,0|1,1,0]=4 1787 B8R0.11 OCC(CO)NCCF 2230a_100000759517_100011217306 [0,2,0,0,0,0|1,1,0]=4 1788 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,2,0,0,0,0|2,0,0]=4 1789 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,2,0,0,0,0|2,0,0]=4 1792 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,2,0,0,0,0|2,0,0]=4 1793 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,2,0,0,0,0|2,0,0]=4 1794 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,2,0,0,0,0|2,0,0]=4 1795 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,2,0,0,0,0|2,0,0]=4 1796 B8R0.25 CC(C)(CCl)OCCF 7a_100000764493_100011217306 [0,2,0,0,0,0|1,1,0]=4 1797 B8R0.25 CC(C)(CCl)OCCO 7a_100000764493_100000211926 [0,2,0,0,0,0|2,0,0]=4 1798 B8R0.25 CC(C)(CO)NCCF 2230a_100000210608_100011217306 [0,2,0,0,0,0|1,1,0]=4 1799 B8R0.25 CC(C)(CO)NCCO 2230a_100000210608_100000211926 [0,2,0,0,0,0|2,0,0]=4 1800 B8R0.25 CCC(C)(C)NCCF 2230a_100000211385_100011217306 [0,2,0,0,0,0|1,1,0]=4 1801 B8R0.25 CCC(C)(C)NCCO 2230a_100000211385_100000211926 [0,2,0,0,0,0|2,0,0]=4 1802 B8R0.25 CCCNC(C)(C)CC 2230a_100000211385_100000210303 [0,2,0,0,0,0|2,0,0]=4 1803 B8R0.25 CCCNC(C)(C)CO 2230a_100000210608_100000210303 [0,2,0,0,0,0|2,0,0]=4 1804 B8R0.25 CCCNS(=O)(=O)CCl 270084a_100020643023_100000031410 [0,2,0,0,0,0|2,0,0]=4 1805 B8R0.25 CCCNS(=O)(=O)CCl 274078a_100020643023_100000031410 [0,2,0,0,0,0|2,0,0]=4 1806 B8R0.25 CCCOC(C)(C)CCl 7a_100000764493_100000210303 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.25 O=S(=O)(CCl)NCCF 270084a_100000724931_100000031410 [0,2,0,0,0,0|1,1,0]=4 1808 B8R0.25 O=S(=O)(CCl)NCCF 274078a_100000724931_100000031410 [0,2,0,0,0,0|1,1,0]=4 1809 B8R0.25 O=S(=O)(CCl)NCCO 270084a_100000210304_100000031410 [0,2,0,0,0,0|2,0,0]=4 1810 B8R0.25 O=S(=O)(CCl)NCCO 274078a_100000210304_100000031410 [0,2,0,0,0,0|2,0,0]=4 1811 B8R0.5 CC(C)CN(C)CCF 2230a_100000747067_100011217306 [0,2,0,0,0,0|1,1,0]=4 1812 B8R0.5 CC(C)CN(C)CCF 269982a_100000747067_100011217306 [0,2,0,0,0,0|1,1,0]=4 1813 B8R0.5 CC(C)CN(C)CCO 2230a_100000210263_100000210760 [0,2,0,0,0,0|2,0,0]=4 1814 B8R0.5 CC(C)CN(C)CCO 2230a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 1815 B8R0.5 CC(C)CN(C)CCO 2230a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1816 B8R0.5 CC(C)CN(C)CCO 269982a_100000210263_100000210624 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.5 CC(C)CN(C)CCO 269982a_100000747067_100000211926 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.5 CC(C)CN(C)CCO 269982a_100015185251_200000210301 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.5 CC(C)CN(C)CCO 270004a_100000210263_100000210432 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.5 CC(C)CN([13CH3])CCO 2230a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.5 CC(C)CN([13CH3])CCO 269982a_100015185251_200025704644 [0,2,0,0,0,0|2,0,0]=4 1822 B8R0.5 CC(O)CN(C)CCF 2230a_100000227577_100011217306 [0,2,0,0,0,0|1,1,0]=4 1823 B8R0.5 CC(O)CN(C)CCF 269982a_100000227577_100011217306 [0,2,0,0,0,0|1,1,0]=4 1824 B8R0.5 CC(O)CN(C)CCO 2230a_100000210263_100011218427 [0,2,0,0,0,0|2,0,0]=4 1825 B8R0.5 CC(O)CN(C)CCO 2230a_100000227577_100000211926 [0,2,0,0,0,0|2,0,0]=4 1826 B8R0.5 CC(O)CN(C)CCO 2230a_100000731851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1827 B8R0.5 CC(O)CN(C)CCO 269982a_100000210263_100011218427 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.5 CC(O)CN(C)CCO 269982a_100000227577_100000211926 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.5 CC(O)CN(C)CCO 269982a_100000731851_200000210301 [0,2,0,0,0,0|2,0,0]=4 1830 B8R0.5 CC(O)CN([13CH3])CCO 2230a_100000731851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1831 B8R0.5 CC(O)CN([13CH3])CCO 269982a_100000731851_200025704644 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.5 CCCN(C)CC(C)C 2230a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.5 CCCN(C)CC(C)C 2230a_100000747261_100000210760 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.5 CCCN(C)CC(C)C 269982a_100000747067_100000210303 [0,2,0,0,0,0|2,0,0]=4 1835 B8R0.5 CCCN(C)CC(C)C 269982a_100000747261_100000210624 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.5 CCCN(C)CC(C)C 270004a_100000747261_100000210432 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [0,2,0,0,0,0|2,0,0]=4 1838 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [0,2,0,0,0,0|2,0,0]=4 1839 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [0,2,0,0,0,0|2,0,0]=4 1840 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [0,2,0,0,0,0|2,0,0]=4 1841 B8R0.5 CCCN(C)CC(F)F 2230a_100000747261_100011934356 [0,2,0,0,0,0|1,1,0]=4 1842 B8R0.5 CCCN(C)CC(F)F 269982a_100000747261_100011934356 [0,2,0,0,0,0|1,1,0]=4 1843 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [0,2,0,0,0,0|2,0,0]=4 1844 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [0,2,0,0,0,0|2,0,0]=4 1845 B8R0.5 CN(CCO)CC(F)F 2230a_100000210263_100011934356 [0,2,0,0,0,0|1,1,0]=4 1846 B8R0.5 CN(CCO)CC(F)F 269982a_100000210263_100011934356 [0,2,0,0,0,0|1,1,0]=4 1847 B8R0.5 C[C@@H](O)CN(C)CCO 2230a_100000210263_100009817552 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.5 C[C@@H](O)CN(C)CCO 269982a_100000210263_100009817552 [0,2,0,0,0,0|2,0,0]=4 1849 B8R0.21 CC(C)(C)CNCCF 2230a_100000743828_100011217306 [0,2,0,0,0,0|1,1,0]=4 1850 B8R0.21 CC(C)(C)CNCCF 34a_100000724931_100011219605 [0,2,0,0,0,0|1,1,0]=4 1851 B8R0.21 CC(C)(C)CNCCO 2230a_100000743828_100000211926 [0,2,0,0,0,0|2,0,0]=4 1852 B8R0.21 CC(C)(C)CNCCO 270004a_100000210304_100011204126 [0,2,0,0,0,0|2,0,0]=4 1853 B8R0.21 CC(C)(C)CNCCO 34a_100016990907_100011219605 [0,2,0,0,0,0|2,0,0]=4 1854 B8R0.21 CC(C)(F)CNCCF 2230a_100020643315_100011217306 [0,2,0,0,0,0|0,2,0]=4 1855 B8R0.21 CC(C)(F)CNCCF 34a_100000724931_100011997219 [0,2,0,0,0,0|0,2,0]=4 1856 B8R0.21 CC(C)(F)CNCCO 2230a_100020643315_100000211926 [0,2,0,0,0,0|1,1,0]=4 1857 B8R0.21 CC(C)(F)CNCCO 34a_100016990907_100011997219 [0,2,0,0,0,0|1,1,0]=4 1858 B8R0.21 CC(C)(O)CNCCF 2230a_100000751335_100011217306 [0,2,0,0,0,0|1,1,0]=4 1859 B8R0.21 CC(C)(O)CNCCF 34a_100000724931_100000764493 [0,2,0,0,0,0|1,1,0]=4 1860 B8R0.21 CC(C)(O)CNCCO 2230a_100000751335_100000211926 [0,2,0,0,0,0|2,0,0]=4 1861 B8R0.21 CC(C)(O)CNCCO 34a_100016990907_100000764493 [0,2,0,0,0,0|2,0,0]=4 1862 B8R0.21 CCCNCC(C)(C)C 2230a_100000743828_100000210303 [0,2,0,0,0,0|2,0,0]=4 1863 B8R0.21 CCCNCC(C)(C)C 270004a_100020643023_100011204126 [0,2,0,0,0,0|2,0,0]=4 1864 B8R0.21 CCCNCC(C)(C)F 2230a_100020643315_100000210303 [0,2,0,0,0,0|1,1,0]=4 1865 B8R0.21 CCCNCC(C)(C)O 2230a_100000751335_100000210303 [0,2,0,0,0,0|2,0,0]=4 1866 B8R0.21 CCCNCC(F)(F)F 34a_100000717047_100000210303 [0,2,0,0,0,0|1,1,0]=4 1867 B8R0.21 CCCOCC(F)(F)Cl 34a_100000734434_100000210303 [0,2,0,0,0,0|2,0,0]=4 1868 B8R0.21 FCCNCC(F)(F)F 34a_100000717047_100011217306 [0,2,0,0,0,0|0,2,0]=4 1869 B8R0.21 FCCOCC(F)(F)Cl 34a_100000734434_100011217306 [0,2,0,0,0,0|1,1,0]=4 1870 B8R0.21 OCCNCC(F)(F)F 2230a_100016997473_100000763148 [0,2,0,0,0,0|1,1,0]=4 1871 B8R0.21 OCCNCC(F)(F)F 34a_100000717047_100000211926 [0,2,0,0,0,0|1,1,0]=4 1872 B8R0.21 OCCOCC(F)(F)Cl 34a_100000734434_100000211926 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.28 CC(C)CNCC(C)C 2230a_100000210953_100000210760 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.28 CC(C)CNCC(C)C 270004a_100000210953_100000210432 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.28 CC(C)CNCC(C)C 34a_100000210953_100000210624 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.28 CC(C)CNCC(C)O 2230a_100000210904_100000210760 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.28 CC(C)CNCC(C)O 2230a_100000210953_100011218427 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.28 CC(C)CNCC(C)O 270004a_100000210904_100000210432 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.28 CC(C)CNCC(C)O 34a_100000210904_100000210624 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.28 CC(C)CNCC(C)O 34a_100000210953_100011218427 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.28 CC(C)CNCC(F)F 2230a_100000210953_100011934356 [0,2,0,0,0,0|1,1,0]=4 1882 B8R0.28 CC(C)CNCC(F)F 270004a_100000765723_100000210432 [0,2,0,0,0,0|1,1,0]=4 1883 B8R0.28 CC(C)CNCC(F)F 34a_100000210953_100011934356 [0,2,0,0,0,0|1,1,0]=4 1884 B8R0.28 CC(C)CNCC(F)F 34a_100000765723_100000210624 [0,2,0,0,0,0|1,1,0]=4 1885 B8R0.28 CC(C)CNC[C@@H](C)O 2230a_100000210953_100009817552 [0,2,0,0,0,0|2,0,0]=4 1886 B8R0.28 CC(C)CNC[C@@H](C)O 34a_100000210953_100009817552 [0,2,0,0,0,0|2,0,0]=4 1887 B8R0.28 CC(C)COC[C@@H](C)Cl 34a_100016084084_100000210624 [0,2,0,0,0,0|2,0,0]=4 1888 B8R0.28 CC(O)CNCC(C)O 2230a_100000210904_100011218427 [0,2,0,0,0,0|2,0,0]=4 1889 B8R0.28 CC(O)CNCC(C)O 34a_100000210904_100011218427 [0,2,0,0,0,0|2,0,0]=4 1890 B8R0.28 CC(O)CNCC(F)F 2230a_100000210904_100011934356 [0,2,0,0,0,0|1,1,0]=4 1891 B8R0.28 CC(O)CNCC(F)F 34a_100000210904_100011934356 [0,2,0,0,0,0|1,1,0]=4 1892 B8R0.28 CC(O)CNCC(F)F 34a_100000765723_100011218427 [0,2,0,0,0,0|1,1,0]=4 1893 B8R0.28 CC(O)CNC[C@@H](C)O 2230a_100000210904_100009817552 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.28 CC(O)CNC[C@@H](C)O 34a_100000210904_100009817552 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.28 CC(O)COC[C@@H](C)Cl 34a_100016084084_100011218427 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.28 C[C@@H](Cl)COCC(F)F 34a_100016084084_100011934356 [0,2,0,0,0,0|1,1,0]=4 1897 B8R0.28 C[C@@H](O)CNCC(F)F 34a_100000765723_100009817552 [0,2,0,0,0,0|1,1,0]=4 1898 B8R0.28 C[C@@H](O)COC[C@@H](C)Cl 34a_100016084084_100009817552 [0,2,0,0,0,0|2,0,0]=4 1899 B8R0.28 FC(F)CNCC(F)F 34a_100000765723_100011934356 [0,2,0,0,0,0|0,2,0]=4 1900 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,2,0,0,0,0|2,0,0]=4 1901 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 1902 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,2,0,0,0,0|2,0,0]=4 1903 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,2,0,0,0,0|2,0,0]=4 1904 B8R0.22 CCCN(CC)CCF 2230a_100000226822_100011217306 [0,2,0,0,0,0|1,1,0]=4 1905 B8R0.22 CCCN(CC)CCF 269982a_100000226822_100011217306 [0,2,0,0,0,0|1,1,0]=4 1906 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [0,2,0,0,0,0|2,0,0]=4 1908 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [0,2,0,0,0,0|2,0,0]=4 1911 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [0,2,0,0,0,0|2,0,0]=4 1912 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,2,0,0,0,0|2,0,0]=4 1913 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [0,2,0,0,0,0|2,0,0]=4 1914 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [0,2,0,0,0,0|1,1,0]=4 1915 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [0,2,0,0,0,0|1,1,0]=4 1916 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [0,2,0,0,0,0|2,0,0]=4 1917 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 1918 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [0,2,0,0,0,0|2,0,0]=4 1919 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [0,2,0,0,0,0|2,0,0]=4 1920 B8R0.22 OCCN(CF)CCO 269982a_100000210587_100015361967 [0,2,0,0,0,0|2,0,0]=4 1921 B6R1.3 CCNC1CC1 34a_100000212008_100000210202 [1,0,0,1,0,0|1,0,0]=3 1922 B6R1.3 CCOC1CC1 34a_100121572206_100000211595 [1,0,0,1,0,0|2,0,0]=4 1923 B6R1.3 CCSC1CC1 62a_100000210202_100000211595 [1,0,0,1,0,0|2,0,0]=4 1924 B6R1.3 FCNC1CC1 34a_100000212008_100015361967 [1,0,0,1,0,0|1,1,0]=4 1925 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,0]=3 1926 B6R1.6 FCN1CCC1 269982a_100000754969_100015361967 [1,0,0,1,0,0|1,1,0]=4 1927 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 1928 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,1,0,1,0,0|2,0,0]=4 1929 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 1930 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,1,0,1,0,0|2,0,0]=4 1931 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1932 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,1,0,1,0,0|1,1,0]=4 1933 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,1,0,1,0,0|1,1,0]=4 1934 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,1,0,1,0,0|1,1,0]=4 1935 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,1,0,1,0,0|1,1,0]=4 1936 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,1,0,1,0,0|2,0,0]=4 1937 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,1,0,1,0,0|2,0,0]=4 1938 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,1,0,1,0,0|2,0,0]=4 1939 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,1,0,1,0,0|2,0,0]=4 1940 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1941 B8R1.9 CCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210303 [0,1,0,1,0,0|1,1,0]=4 1942 B8R1.9 CCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210303 [0,1,0,1,0,0|1,1,0]=4 1943 B8R1.9 CCCN[C@@H]1C[C@H]1F 34a_100025746932_100000210303 [0,1,0,1,0,0|1,1,0]=4 1944 B8R1.9 FCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100011217306 [0,1,0,1,0,0|0,2,0]=4 1945 B8R1.9 FCCN[C@@H]1C[C@H]1F 2230a_100025746932_100011217306 [0,1,0,1,0,0|0,2,0]=4 1946 B8R1.9 FCCN[C@@H]1C[C@H]1F 34a_100025746932_100011217306 [0,1,0,1,0,0|0,2,0]=4 1947 B8R1.9 OCCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000211926 [0,1,0,1,0,0|1,1,0]=4 1948 B8R1.9 OCCN[C@@H]1C[C@H]1F 2230a_100025746932_100000211926 [0,1,0,1,0,0|1,1,0]=4 1949 B8R1.9 OCCN[C@@H]1C[C@H]1F 34a_100025746932_100000211926 [0,1,0,1,0,0|1,1,0]=4 1950 B8R1.10 C#CCCN1CCC1 269982a_100000754969_100000730999 [0,1,0,1,0,0|2,0,0]=4 1951 B8R1.10 C=CCCN1CCC1 269982a_100000754969_100000754431 [0,1,0,1,0,0|2,0,0]=4 1952 B8R1.10 CCCCN1CCC1 269982a_100000754969_100000210211 [0,1,0,1,0,0|2,0,0]=4 1953 B8R1.10 CCCNC1CCC1 2230a_100000749019_100000210303 [0,1,0,1,0,0|2,0,0]=4 1954 B8R1.10 CCCNC1CCC1 270004a_100020643023_100000241760 [0,1,0,1,0,0|2,0,0]=4 1955 B8R1.10 CCCNC1CCC1 34a_100000749019_100000210303 [0,1,0,1,0,0|2,0,0]=4 1956 B8R1.10 CCCNC1COC1 2230a_100016991112_100000210303 [0,1,0,1,0,0|2,0,0]=4 1957 B8R1.10 CCOCN1CCC1 269982a_100000754969_100000739092 [0,1,0,1,0,0|2,0,0]=4 1958 B8R1.10 COCCN1CCC1 269982a_100000754969_100000233755 [0,1,0,1,0,0|2,0,0]=4 1959 B8R1.10 CSCCN1CCC1 269982a_100000754969_100000212216 [0,1,0,1,0,0|2,0,0]=4 1960 B8R1.10 FCCCN1CCC1 269982a_100000754969_100011934791 [0,1,0,1,0,0|1,1,0]=4 1961 B8R1.10 FCCNC1CCC1 2230a_100000749019_100011217306 [0,1,0,1,0,0|1,1,0]=4 1962 B8R1.10 FCCNC1CCC1 34a_100000724931_100000749161 [0,1,0,1,0,0|1,1,0]=4 1963 B8R1.10 FCCNC1CCC1 34a_100000749019_100011217306 [0,1,0,1,0,0|1,1,0]=4 1964 B8R1.10 FCCNC1COC1 2230a_100016991112_100011217306 [0,1,0,1,0,0|1,1,0]=4 1965 B8R1.10 FCCNC1COC1 34a_100000724931_100009818527 [0,1,0,1,0,0|1,1,0]=4 1966 B8R1.10 N#CCCN1CCC1 269982a_100000754969_100011215226 [0,1,0,1,0,0|2,0,0]=4 1967 B8R1.10 OCCCN1CCC1 269982a_100000754969_100011215043 [0,1,0,1,0,0|2,0,0]=4 1968 B8R1.10 OCCNC1CCC1 2230a_100000749019_100000211926 [0,1,0,1,0,0|2,0,0]=4 1969 B8R1.10 OCCNC1CCC1 270004a_100000210304_100000241760 [0,1,0,1,0,0|2,0,0]=4 1970 B8R1.10 OCCNC1CCC1 34a_100000749019_100000211926 [0,1,0,1,0,0|2,0,0]=4 1971 B8R1.10 OCCNC1CCC1 34a_100016990907_100000749161 [0,1,0,1,0,0|2,0,0]=4 1972 B8R1.10 OCCNC1COC1 2230a_100016991112_100000211926 [0,1,0,1,0,0|2,0,0]=4 1973 B8R1.10 OCCNC1COC1 34a_100016990907_100009818527 [0,1,0,1,0,0|2,0,0]=4 1974 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1975 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1976 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1977 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1978 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1979 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1980 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1981 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1982 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1983 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 1984 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 1985 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 1986 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1987 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1988 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1989 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 1990 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,1,0,1,0,0|1,1,0]=4 1991 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,1,0,1,0,0|1,1,0]=4 1992 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 1993 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,1,0,1,0,0|2,0,0]=4 1994 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,1,0,1,0,0|2,0,0]=4 1995 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,1,0,1,0,0|2,0,0]=4 1996 B8R1.22 CN1CCCCCC1 2230a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 1997 B8R1.22 CN1CCCCCC1 269982a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 1998 B8R1.22 CN1CCCCCC1 34a_100000185865_200000210301 [0,1,0,1,0,0|2,0,0]=4 1999 B8R1.22 CN1CCCOCC1 2230a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 2000 B8R1.22 CN1CCCOCC1 269982a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 2001 B8R1.22 CN1CCCOCC1 34a_100000685342_200000210301 [0,1,0,1,0,0|2,0,0]=4 2002 B8R1.22 [13CH3]N1CCCCCC1 2230a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 2003 B8R1.22 [13CH3]N1CCCCCC1 269982a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 2004 B8R1.22 [13CH3]N1CCCCCC1 34a_100000185865_200025704644 [0,1,0,1,0,0|2,0,0]=4 2005 B8R1.22 [13CH3]N1CCCOCC1 2230a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 2006 B8R1.22 [13CH3]N1CCCOCC1 269982a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 2007 B8R1.22 [13CH3]N1CCCOCC1 34a_100000685342_200025704644 [0,1,0,1,0,0|2,0,0]=4 2008 B8R1.36 C#CCCNC1CC1 34a_100000212008_100000688953 [0,1,0,1,0,0|2,0,0]=4 2009 B8R1.36 C#CCCNC1CC1 34a_100000755551_100000211595 [0,1,0,1,0,0|2,0,0]=4 2010 B8R1.36 C=CCCNC1CC1 34a_100000212008_100000754431 [0,1,0,1,0,0|2,0,0]=4 2011 B8R1.36 CCCCNC1CC1 34a_100000212008_100000210210 [0,1,0,1,0,0|2,0,0]=4 2012 B8R1.36 CCCNCC1CC1 2230a_100000735609_100000210303 [0,1,0,1,0,0|2,0,0]=4 2013 B8R1.36 CCCNCC1CC1 269862a_100020643023_100000741477 [0,1,0,1,0,0|2,0,0]=4 2014 B8R1.36 CCCNCC1CC1 34a_100000735609_100000210303 [0,1,0,1,0,0|2,0,0]=4 2015 B8R1.36 COCCNC1CC1 34a_100000212008_100011201679 [0,1,0,1,0,0|2,0,0]=4 2016 B8R1.36 COCCNC1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 2017 B8R1.36 CSCCNC1CC1 34a_100000212008_100000212216 [0,1,0,1,0,0|2,0,0]=4 2018 B8R1.36 ClCCCOC1CC1 34a_100000230001_100000211595 [0,1,0,1,0,0|2,0,0]=4 2019 B8R1.36 FCCCNC1CC1 34a_100000212008_100011934791 [0,1,0,1,0,0|1,1,0]=4 2020 B8R1.36 FCCCNC1CC1 34a_100015189416_100000211595 [0,1,0,1,0,0|1,1,0]=4 2021 B8R1.36 FCCNCC1CC1 2230a_100000735609_100011217306 [0,1,0,1,0,0|1,1,0]=4 2022 B8R1.36 FCCNCC1CC1 269862a_100000724931_100000741477 [0,1,0,1,0,0|1,1,0]=4 2023 B8R1.36 FCCNCC1CC1 34a_100000724931_100000742324 [0,1,0,1,0,0|1,1,0]=4 2024 B8R1.36 FCCNCC1CC1 34a_100000735609_100011217306 [0,1,0,1,0,0|1,1,0]=4 2025 B8R1.36 FCCNCC1CO1 34a_100000724931_102125554688 [0,1,0,1,0,0|1,1,0]=4 2026 B8R1.36 OCCCNC1CC1 34a_100000212008_100000230001 [0,1,0,1,0,0|2,0,0]=4 2027 B8R1.36 OCCNCC1CC1 2230a_100000735609_100000211926 [0,1,0,1,0,0|2,0,0]=4 2028 B8R1.36 OCCNCC1CC1 2230a_100016997473_100000742324 [0,1,0,1,0,0|2,0,0]=4 2029 B8R1.36 OCCNCC1CC1 269862a_100000210304_100000741477 [0,1,0,1,0,0|2,0,0]=4 2030 B8R1.36 OCCNCC1CC1 34a_100000735609_100000211926 [0,1,0,1,0,0|2,0,0]=4 2031 B8R1.36 OCCNCC1CC1 34a_100016990907_100000742324 [0,1,0,1,0,0|2,0,0]=4 2032 B8R1.36 OCCNCC1CO1 2230a_100016997473_100011216344 [0,1,0,1,0,0|2,0,0]=4 2033 B8R1.36 OCCNCC1CO1 34a_100016990907_102125554688 [0,1,0,1,0,0|2,0,0]=4 2034 B8R1.36 [13CH3]OCCNC1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 2035 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,1,0,1,0,0|2,0,0]=4 2036 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,1,0,1,0,0|2,0,0]=4 2037 B8R1.40 CC(CO)NC1CC1 34a_100000212008_100012180447 [0,1,0,1,0,0|2,0,0]=4 2038 B8R1.40 CCC(C)NC1CC1 34a_100000212008_100011215416 [0,1,0,1,0,0|2,0,0]=4 2039 B8R1.41 CC1(CC1)NCCF 2230a_100000757604_100011217306 [0,1,0,1,0,0|1,1,0]=4 2040 B8R1.41 CC1(CC1)NCCO 2230a_100000757604_100000211926 [0,1,0,1,0,0|2,0,0]=4 2041 B8R1.41 CCCNC1(CC1)C 2230a_100000757604_100000210303 [0,1,0,1,0,0|2,0,0]=4 2042 B8R1.4 CC1CN(CCO1)C 2230a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2043 B8R1.4 CC1CN(CCO1)C 269982a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2044 B8R1.4 CC1CN(CCO1)C 34a_100000729577_200000210301 [0,1,0,1,0,0|2,0,0]=4 2045 B8R1.4 CC1CN(CCO1)[13CH3] 2230a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2046 B8R1.4 CC1CN(CCO1)[13CH3] 269982a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2047 B8R1.4 CC1CN(CCO1)[13CH3] 34a_100000729577_200025704644 [0,1,0,1,0,0|2,0,0]=4 2048 B8R1.4 CN1CCCC(C1)F 2230a_100000697950_200000210301 [0,1,0,1,0,0|1,1,0]=4 2049 B8R1.4 CN1CCCC(C1)F 269982a_100000697950_200000210301 [0,1,0,1,0,0|1,1,0]=4 2050 B8R1.4 CN1CCCC(C1)F 34a_100000697950_200000210301 [0,1,0,1,0,0|1,1,0]=4 2051 B8R1.4 CN1CCCC(C1)O 2230a_100000211013_200000210301 [0,1,0,1,0,0|2,0,0]=4 2052 B8R1.4 CN1CCCC(C1)O 269982a_100000211013_200000210301 [0,1,0,1,0,0|2,0,0]=4 2053 B8R1.4 CN1CCOC(C1)O 2230a_100000688207_200000210301 [0,1,0,1,0,0|2,0,0]=4 2054 B8R1.4 CN1CCOC(C1)O 269982a_100000688207_200000210301 [0,1,0,1,0,0|2,0,0]=4 2055 B8R1.4 C[C@H]1CCCN(C1)C 2230a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 2056 B8R1.4 C[C@H]1CCCN(C1)C 269982a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 2057 B8R1.4 C[C@H]1CCCN(C1)C 34a_100000717927_200000210301 [0,1,0,1,0,0|2,0,0]=4 2058 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 2230a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 2059 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 269982a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 2060 B8R1.4 C[C@H]1CCCN(C1)[13CH3] 34a_100000717927_200025704644 [0,1,0,1,0,0|2,0,0]=4 2061 B8R1.4 [13CH3]N1CCCC(C1)F 2230a_100000697950_200025704644 [0,1,0,1,0,0|1,1,0]=4 2062 B8R1.4 [13CH3]N1CCCC(C1)F 269982a_100000697950_200025704644 [0,1,0,1,0,0|1,1,0]=4 2063 B8R1.4 [13CH3]N1CCCC(C1)F 34a_100000697950_200025704644 [0,1,0,1,0,0|1,1,0]=4 2064 B8R1.4 [13CH3]N1CCCC(C1)O 2230a_100000211013_200025704644 [0,1,0,1,0,0|2,0,0]=4 2065 B8R1.4 [13CH3]N1CCCC(C1)O 269982a_100000211013_200025704644 [0,1,0,1,0,0|2,0,0]=4 2066 B8R1.4 [13CH3]N1CCOC(C1)O 2230a_100000688207_200025704644 [0,1,0,1,0,0|2,0,0]=4 2067 B8R1.4 [13CH3]N1CCOC(C1)O 269982a_100000688207_200025704644 [0,1,0,1,0,0|2,0,0]=4 2068 B8R1.6 CC1CN(C1)CCF 2230a_100000702820_100011217306 [0,1,0,1,0,0|1,1,0]=4 2069 B8R1.6 CC1CN(C1)CCF 269982a_100000702820_100011217306 [0,1,0,1,0,0|1,1,0]=4 2070 B8R1.6 CC1CN(C1)CCF 34a_100000702820_100011217306 [0,1,0,1,0,0|1,1,0]=4 2071 B8R1.6 CC1CN(C1)CCO 2230a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 2072 B8R1.6 CC1CN(C1)CCO 269982a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 2073 B8R1.6 CC1CN(C1)CCO 34a_100000702820_100000211926 [0,1,0,1,0,0|2,0,0]=4 2074 B8R1.6 CCCN1CC(C1)C 2230a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 2075 B8R1.6 CCCN1CC(C1)C 269982a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 2076 B8R1.6 CCCN1CC(C1)C 34a_100000702820_100000210303 [0,1,0,1,0,0|2,0,0]=4 2077 B8R1.6 CCCN1CC(C1)F 2230a_100000690557_100000210303 [0,1,0,1,0,0|1,1,0]=4 2078 B8R1.6 CCCN1CC(C1)F 269982a_100000690557_100000210303 [0,1,0,1,0,0|1,1,0]=4 2079 B8R1.6 CCCN1CC(C1)F 34a_100000690557_100000210303 [0,1,0,1,0,0|1,1,0]=4 2080 B8R1.6 CCCN1CC(C1)O 269982a_100000749847_100000210303 [0,1,0,1,0,0|2,0,0]=4 2081 B8R1.6 FCCN1CC(C1)F 2230a_100000690557_100011217306 [0,1,0,1,0,0|0,2,0]=4 2082 B8R1.6 FCCN1CC(C1)F 269982a_100000690557_100011217306 [0,1,0,1,0,0|0,2,0]=4 2083 B8R1.6 FCCN1CC(C1)F 34a_100000690557_100011217306 [0,1,0,1,0,0|0,2,0]=4 2084 B8R1.6 OC1CN(C1)CCF 269982a_100000749847_100011217306 [0,1,0,1,0,0|1,1,0]=4 2085 B8R1.6 OCCN1CC(C1)F 2230a_100000690557_100000211926 [0,1,0,1,0,0|1,1,0]=4 2086 B8R1.6 OCCN1CC(C1)F 269982a_100000690557_100000211926 [0,1,0,1,0,0|1,1,0]=4 2087 B8R1.6 OCCN1CC(C1)F 34a_100000690557_100000211926 [0,1,0,1,0,0|1,1,0]=4 2088 B8R1.6 OCCN1CC(C1)O 269982a_100000749847_100000211926 [0,1,0,1,0,0|2,0,0]=4 2089 B8R1.34 CC(C)CN1CCC1 269982a_100000754969_100000210624 [0,1,0,1,0,0|2,0,0]=4 2090 B8R1.34 CC(O)CN1CCC1 269982a_100000754969_100011218427 [0,1,0,1,0,0|2,0,0]=4 2091 B8R1.34 C[C@@H](O)CN1CCC1 269982a_100000754969_100009817552 [0,1,0,1,0,0|2,0,0]=4 2092 B8R1.34 FC(F)CN1CCC1 269982a_100000754969_100011934356 [0,1,0,1,0,0|1,1,0]=4 2093 B8R1.35 CC(C)CNC1CC1 34a_100000210953_100000211595 [0,1,0,1,0,0|2,0,0]=4 2094 B8R1.35 CC(C)CNC1CC1 34a_100000212008_100000210624 [0,1,0,1,0,0|2,0,0]=4 2095 B8R1.35 CC(O)CNC1CC1 34a_100000210904_100000211595 [0,1,0,1,0,0|2,0,0]=4 2096 B8R1.35 CC(O)CNC1CC1 34a_100000212008_100011218427 [0,1,0,1,0,0|2,0,0]=4 2097 B8R1.35 C[C@@H](Cl)COC1CC1 34a_100016084084_100000211595 [0,1,0,1,0,0|2,0,0]=4 2098 B8R1.35 C[C@@H](O)CNC1CC1 34a_100000212008_100009817552 [0,1,0,1,0,0|2,0,0]=4 2099 B8R1.35 FC(F)CNC1CC1 34a_100000212008_100011934356 [0,1,0,1,0,0|1,1,0]=4 2100 B8R1.35 FC(F)CNC1CC1 34a_100000765723_100000211595 [0,1,0,1,0,0|1,1,0]=4 2101 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200000210301 [0,1,0,1,0,0|1,1,0]=4 2102 B8R1.18 CN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200000210301 [0,1,0,1,0,0|1,1,0]=4 2103 B8R1.18 CN1C[C@H]([C@H](C1)F)F 269982a_100103146936_200000210301 [0,1,0,1,0,0|0,2,0]=4 2104 B8R1.18 CN1C[C@H]([C@H](C1)F)F 34a_100103146936_200000210301 [0,1,0,1,0,0|0,2,0]=4 2105 B8R1.18 CN1C[C@H]([C@H](C1)O)O 2230a_100015207562_200000210301 [0,1,0,1,0,0|2,0,0]=4 2106 B8R1.18 CN1C[C@H]([C@H](C1)O)O 269982a_100015207562_200000210301 [0,1,0,1,0,0|2,0,0]=4 2107 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 2230a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 2108 B8R1.18 C[C@@H]1CN(C[C@@H]1O)C 269982a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 2109 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 2230a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 2110 B8R1.18 C[C@@H]1CN(C[C@@H]1O)[13CH3] 269982a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 2111 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 2230a_100020590056_200025704644 [0,1,0,1,0,0|1,1,0]=4 2112 B8R1.18 [13CH3]N1C[C@@H]([C@H](C1)F)O 269982a_100020590056_200025704644 [0,1,0,1,0,0|1,1,0]=4 2113 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 269982a_100103146936_200025704644 [0,1,0,1,0,0|0,2,0]=4 2114 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)F)F 34a_100103146936_200025704644 [0,1,0,1,0,0|0,2,0]=4 2115 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 2230a_100015207562_200025704644 [0,1,0,1,0,0|2,0,0]=4 2116 B8R1.18 [13CH3]N1C[C@H]([C@H](C1)O)O 269982a_100015207562_200025704644 [0,1,0,1,0,0|2,0,0]=4 2117 B8R1.37 CCCN(C)C1CC1 2230a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 2118 B8R1.37 CCCN(C)C1CC1 2230a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 2119 B8R1.37 CCCN(C)C1CC1 269982a_100000226674_100000210303 [0,1,0,1,0,0|2,0,0]=4 2120 B8R1.37 CCCN(C)C1CC1 269982a_100000747261_100000211595 [0,1,0,1,0,0|2,0,0]=4 2121 B8R1.37 CCCN(C)C1CC1 269982a_100000765834_200000210301 [0,1,0,1,0,0|2,0,0]=4 2122 B8R1.37 CCCN([13CH3])C1CC1 2230a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 2123 B8R1.37 CCCN([13CH3])C1CC1 269982a_100000765834_200025704644 [0,1,0,1,0,0|2,0,0]=4 2124 B8R1.37 CN(CCF)C1CC1 2230a_100000226674_100011217306 [0,1,0,1,0,0|1,1,0]=4 2125 B8R1.37 CN(CCF)C1CC1 269982a_100000226674_100011217306 [0,1,0,1,0,0|1,1,0]=4 2126 B8R1.37 CN(CCO)C1CC1 2230a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 2127 B8R1.37 CN(CCO)C1CC1 2230a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 2128 B8R1.37 CN(CCO)C1CC1 269982a_100000210263_100000211595 [0,1,0,1,0,0|2,0,0]=4 2129 B8R1.37 CN(CCO)C1CC1 269982a_100000226674_100000211926 [0,1,0,1,0,0|2,0,0]=4 2130 B8R1.37 CN(CCO)C1CC1 269982a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 2131 B8R1.37 CN(CCO)C1CC1 34a_100000738766_200000210301 [0,1,0,1,0,0|2,0,0]=4 2132 B8R1.37 [13CH3]N(CCO)C1CC1 2230a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 2133 B8R1.37 [13CH3]N(CCO)C1CC1 269982a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 2134 B8R1.37 [13CH3]N(CCO)C1CC1 34a_100000738766_200025704644 [0,1,0,1,0,0|2,0,0]=4 2135 B8R2.1 C1CN(C1)C2CC2 269982a_100000754969_100000211595 [0,0,0,2,0,0|2,0,0]=4 2136 B8R2.24 C1CC1NC2CC2 34a_100000212008_100000211595 [0,0,0,2,0,0|2,0,0]=4