0 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.12 C#CCN(CC)CC 2230a_100000724800_100000038162 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.12 C#CCN(CC)CC 2230a_100000744766_100000210202 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.12 C#CCN(CC)CC 269956a_100000042499_100000184674 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.12 C#CCN(CC)CC 269982a_100000744766_100000204670 [0,0,0,0,0,0|1,0,1]=2 8 B7R0.12 C#CCN(CC)CF 269982a_100000744766_100015361967 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,0,0,0,0,0|1,0,1]=2 12 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,0,0,0,0,0|4,0,0]=4 32 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,0,0,0,0,0|4,0,0]=4 34 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,0,0,0,0,0|4,0,0]=4 35 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,0,0,0,0,0|4,0,0]=4 36 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,0,0,0,0,0|4,0,0]=4 37 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,0,0,0,0,0|4,0,0]=4 38 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,0,0,0,0,0|3,0,0]=3 50 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,0,0,0,0,0|1,0,0]=1 51 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,0,0,0,0,0|1,0,0]=1 53 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,0,0,0,0,0|1,0,0]=1 54 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,0,0,0,0,0|1,0,0]=1 55 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,0,0,0,0,0|2,0,0]=2 56 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,0,0,0,0,0|4,0,0]=4 60 B7R0.12 CCN(CC)CC#N 2230a_100000724800_100011215382 [0,0,0,0,0,0|1,0,1]=2 61 B7R0.12 CCN(CC)CC#N 269956a_100000042499_100011215382 [0,0,0,0,0,0|1,0,1]=2 62 B7R0.12 CCN(CC)CC#N 269982a_100000724800_100011214920 [0,0,0,0,0,0|1,0,1]=2 63 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,0,0,0,0,0|0,0,2]=2 64 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,0,0,0,0,0|0,0,2]=2 65 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,0,0,0,0,0|0,0,2]=2 66 B7R0.12 CCN(CC)CCF 2230a_100000724800_100011217306 [0,0,0,0,0,0|1,0,0]=1 67 B7R0.12 CCN(CC)CCF 269956a_100000042499_100011217306 [0,0,0,0,0,0|1,0,0]=1 68 B7R0.12 CCN(CC)CCF 269982a_100000724800_100011217306 [0,0,0,0,0,0|1,0,0]=1 69 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,0,0,0,0,0|0,0,0]=0 70 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,0,0,0,0,0|0,0,0]=0 71 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,0,0,0,0,0|0,0,0]=0 72 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,0,0,0,0,0|0,0,0]=0 73 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,0,0,0,0,0|0,0,0]=0 74 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [0,0,0,0,0,0|2,0,0]=2 76 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [0,0,0,0,0,0|2,0,0]=2 77 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [0,0,0,0,0,0|2,0,0]=2 78 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.12 CCN(CC)CSC 2230a_100000724800_100011218213 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.12 CCN(CC)CSC 269956a_100000042499_100011218213 [0,0,0,0,0,0|2,0,0]=2 81 B7R0.12 CCN(CC)CSC 269982a_100000724800_100011218213 [0,0,0,0,0,0|2,0,0]=2 82 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,0,0,0,0,0|1,0,0]=1 83 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,0,0,0,0,0|3,0,0]=3 85 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,0,0,0,0,0|3,0,0]=3 88 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,0,0,0,0,0|3,0,0]=3 89 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,0,0,0,0,0|3,0,1]=4 90 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.1 C#CCN(C)CC 2230a_100000225621_100000038162 [1,0,0,0,0,0|1,0,1]=3 92 B6R0.1 C#CCN(C)CC 2230a_100000225692_100000210202 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.1 C#CCN(C)CC 2230a_100000744766_200000210301 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.1 C#CCN(C)CC 269982a_100000744766_200000210301 [1,0,0,0,0,0|1,0,1]=3 95 B6R0.1 C#CCN(C)CC 34a_100000225692_100000210202 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.1 C#CCN(C)CF 34a_100000225692_100015361967 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 C#CCN([13CH3])CC 2230a_100000744766_200025704644 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.1 C#CCN([13CH3])CC 269982a_100000744766_200025704644 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,0,0,0,0,0|1,0,1]=3 102 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,0,0,0,0,0|1,0,1]=3 103 B6R0.1 C=CCN(C)CF 269982a_100000225617_100015361967 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 112 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|3,0,0]=4 117 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|3,0,0]=4 118 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|3,0,0]=4 120 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|3,0,0]=4 121 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,0,0,0,0|3,0,0]=4 124 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 136 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|3,0,0]=4 137 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|3,0,0]=4 140 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|3,0,0]=4 141 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|1,0,0]=2 144 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|1,0,0]=2 145 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|1,0,0]=2 146 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|1,0,0]=2 147 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|2,0,0]=3 148 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|1,0,0]=2 149 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|1,0,0]=2 150 B6R0.1 CCN(C)CC#N 2230a_100000225621_100011215382 [1,0,0,0,0,0|1,0,1]=3 151 B6R0.1 CCN(C)CC#N 2230a_100000748184_100000210202 [1,0,0,0,0,0|1,0,1]=3 152 B6R0.1 CCN(C)CC#N 269982a_100000225621_100011214920 [1,0,0,0,0,0|1,0,1]=3 153 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,0,0,0,0,0|0,0,2]=3 154 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,0,0,0,0,0|0,0,2]=3 155 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|1,0,0]=2 156 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|1,0,0]=2 157 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|0,0,0]=1 158 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|0,0,0]=1 159 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|0,0,0]=1 160 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|0,0,0]=1 161 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|0,0,0]=1 162 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|0,0,0]=1 163 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|0,0,0]=1 168 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|0,0,0]=1 169 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|3,0,0]=4 171 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|3,0,0]=4 174 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 176 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|3,0,0]=4 177 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|3,0,0]=4 178 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|3,0,0]=4 181 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|3,0,0]=4 182 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|3,0,0]=4 183 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,0,0,0,0,0|1,0,0]=2 186 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 191 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|2,0,0]=3 196 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,0,0,0,0,0|2,0,0]=3 202 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,0,0,0,0,0|2,0,0]=3 203 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,0,0,0,0,0|2,0,0]=3 205 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,0,0,0,0,0|2,0,0]=3 206 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,0,0,0,0,0|2,0,0]=3 207 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [1,0,0,0,0,0|0,0,0]=1 211 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [1,0,0,0,0,0|0,0,0]=1 212 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [1,0,0,0,0,0|0,0,0]=1 213 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [1,0,0,0,0,0|1,0,0]=2 215 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,0,0,0,0,0|2,0,0]=3 217 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,0,0,0,0,0|3,0,0]=4 218 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,0,0,0,0,0|3,0,0]=4 219 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,1,0,0,0,0|1,0,2]=4 220 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,1,0,0,0,0|1,0,2]=4 221 B8R0.11 C#CCCN(CC)CC 2230a_100000724800_100000688953 [0,1,0,0,0,0|1,0,0]=2 222 B8R0.11 C#CCCN(CC)CC 269956a_100000042499_100000688953 [0,1,0,0,0,0|1,0,0]=2 223 B8R0.11 C#CCCN(CC)CC 269982a_100000724800_100000730999 [0,1,0,0,0,0|1,0,0]=2 224 B8R0.11 C#CCNC(CC)CC 2230a_100000199018_100000038162 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.11 C#CCOC(CC)CC 7a_100000688536_100000038162 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.11 C#CCSC(CC)CC 62a_100000038162_100000210505 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.11 C/C=C/CN(CC)CC 269956a_100000042499_100102629194 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.11 C/C=C/CN(CC)CC 269982a_100000724800_100102629194 [0,1,0,0,0,0|1,0,1]=3 229 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,1,0,0,0,0|1,0,2]=4 230 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,1,0,0,0,0|1,0,2]=4 231 B8R0.11 C=CCCN(CC)CC 2230a_100000724800_100000754431 [0,1,0,0,0,0|1,0,0]=2 232 B8R0.11 C=CCCN(CC)CC 269956a_100000042499_100000754431 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.11 C=CCCN(CC)CC 269982a_100000724800_100000754431 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.11 C=CCNC(CC)CC 2230a_100000199018_100000210623 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.11 C=CCNC(CC)CC 270004a_100020586998_100000210860 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.11 C=CCOC(CC)CC 7a_100000688536_100015514636 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.11 C=CCSC(CC)CC 62a_100000210505_100000210623 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.11 C=CCSC(CC)CC 62a_100000210623_100000210505 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.11 CC#CCN(CC)CC 2230a_100000724800_100000748600 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.11 CC#CCN(CC)CC 269956a_100000042499_100000748600 [0,1,0,0,0,0|1,0,1]=3 241 B8R0.11 CC=CCN(CC)CC 2230a_100000724800_100000070051 [0,1,0,0,0,0|1,0,1]=3 242 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [0,1,0,0,0,0|2,0,0]=3 243 B8R0.11 CCC(CC)CSCF 62a_100011215472_100015361967 [0,1,0,0,0,0|2,0,0]=3 244 B8R0.11 CCC(CC)CSCF 62a_100015361967_100011215472 [0,1,0,0,0,0|2,0,0]=3 245 B8R0.11 CCC(CC)NCC#N 2230a_100000199018_100011215382 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,1,0,0,0,0|1,0,0]=2 249 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.11 CCC(CC)NCOC 2230a_100000199018_100000766300 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.11 CCC(CC)NCSC 2230a_100000199018_100011218213 [0,1,0,0,0,0|2,1,0]=4 252 B8R0.11 CCC(CC)OCC#N 7a_100000688536_100011215382 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,1,0,0,0,0|1,0,0]=2 256 B8R0.11 CCC(CC)SCC#N 62a_100000210505_100011215382 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.11 CCC(CC)SCC#N 62a_100011215382_100000210505 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,1,0,0,0,0|1,0,2]=4 260 B8R0.11 CCC(CC)SCCF 62a_100000210505_100011217306 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.11 CCC(CC)SCCF 62a_100011217306_100000210505 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,1,0,0,0,0|1,0,0]=2 263 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,1,0,0,0,0|1,0,0]=2 264 B8R0.11 CCC(CC)SCOC 62a_100000210505_100000766300 [0,1,0,0,0,0|2,0,0]=3 265 B8R0.11 CCC(CC)SCOC 62a_100000766300_100000210505 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.11 CCC(CC)SCSC 62a_100000210505_100011218213 [0,1,0,0,0,0|2,1,0]=4 267 B8R0.11 CCC(CC)SCSC 62a_100011218213_100000210505 [0,1,0,0,0,0|2,1,0]=4 268 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,1,0,0,0,0|3,0,0]=4 279 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.11 CCCCN(CC)CC 2230a_100000207695_100000210202 [0,1,0,0,0,0|1,0,0]=2 283 B8R0.11 CCCCN(CC)CC 2230a_100000724800_100000210211 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.11 CCCCN(CC)CC 269956a_100000042499_100000210211 [0,1,0,0,0,0|1,0,0]=2 285 B8R0.11 CCCCN(CC)CC 269982a_100000207695_100000204670 [0,1,0,0,0,0|1,0,0]=2 286 B8R0.11 CCCCN(CC)CC 269982a_100000724800_100000210211 [0,1,0,0,0,0|1,0,0]=2 287 B8R0.11 CCCCN(CC)CF 269982a_100000207695_100015361967 [0,1,0,0,0,0|2,0,0]=3 288 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,1,0,0,0,0|2,0,0]=3 289 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,1,0,0,0,0|2,0,0]=3 290 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,1,0,0,0,0|2,0,0]=3 293 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.11 CCN(CC)CCC#N 2230a_100000226048_100000210202 [0,1,0,0,0,0|1,0,0]=2 295 B8R0.11 CCN(CC)CCC#N 2230a_100000724800_100011215226 [0,1,0,0,0,0|1,0,0]=2 296 B8R0.11 CCN(CC)CCC#N 269956a_100000042499_100011215226 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.11 CCN(CC)CCC#N 269982a_100000724800_100011215226 [0,1,0,0,0,0|1,0,0]=2 298 B8R0.11 CCN(CC)CCCF 2230a_100000724800_100011934791 [0,1,0,0,0,0|1,0,0]=2 299 B8R0.11 CCN(CC)CCCF 269956a_100000042499_100011934791 [0,1,0,0,0,0|1,0,0]=2 300 B8R0.11 CCN(CC)CCCF 269982a_100000724800_100011934791 [0,1,0,0,0,0|1,0,0]=2 301 B8R0.11 CCN(CC)CCCO 2230a_100000724800_100000230001 [0,1,0,0,0,0|0,0,0]=1 302 B8R0.11 CCN(CC)CCCO 269956a_100000042499_100011215043 [0,1,0,0,0,0|0,0,0]=1 303 B8R0.11 CCN(CC)CCCO 269982a_100000724800_100011215043 [0,1,0,0,0,0|0,0,0]=1 304 B8R0.11 CCN(CC)CCNC 2230a_100015382049_200000210301 [0,1,0,0,0,0|1,0,0]=2 305 B8R0.11 CCN(CC)CCNC 2230a_106832991635_100000700428 [0,1,0,0,0,0|1,0,0]=2 306 B8R0.11 CCN(CC)CCNC 7a_106832991635_100000700428 [0,1,0,0,0,0|1,0,0]=2 307 B8R0.11 CCN(CC)CCN[13CH3] 2230a_100015382049_200025704644 [0,1,0,0,0,0|1,0,0]=2 308 B8R0.11 CCN(CC)CCOC 2230a_100000724800_100011201679 [0,1,0,0,0,0|0,0,0]=1 309 B8R0.11 CCN(CC)CCOC 2230a_100000731262_100000210202 [0,1,0,0,0,0|0,0,0]=1 310 B8R0.11 CCN(CC)CCOC 269956a_100000042499_100000233755 [0,1,0,0,0,0|0,0,0]=1 311 B8R0.11 CCN(CC)CCOC 269982a_100000724800_100000233755 [0,1,0,0,0,0|0,0,0]=1 312 B8R0.11 CCN(CC)CCOC 269982a_100000731262_100000204670 [0,1,0,0,0,0|0,0,0]=1 313 B8R0.11 CCN(CC)CCOC 7a_100016990331_200000210301 [0,1,0,0,0,0|0,0,0]=1 314 B8R0.11 CCN(CC)CCO[13CH3] 7a_100016990331_200025704644 [0,1,0,0,0,0|0,0,0]=1 315 B8R0.11 CCN(CC)CCSC 2230a_100000724800_100000751147 [0,1,0,0,0,0|0,1,0]=2 316 B8R0.11 CCN(CC)CCSC 269956a_100000042499_100000212216 [0,1,0,0,0,0|0,1,0]=2 317 B8R0.11 CCN(CC)CCSC 269982a_100000724800_100000212216 [0,1,0,0,0,0|0,1,0]=2 318 B8R0.11 CCN(CC)CCSC 62a_200000210301_100000700428 [0,1,0,0,0,0|0,1,0]=2 319 B8R0.11 CCN(CC)CCS[13CH3] 62a_200025704644_100000700428 [0,1,0,0,0,0|0,1,0]=2 320 B8R0.11 CCN(CC)COCF 7a_200015374951_100015361967 [0,1,0,0,0,0|1,0,0]=2 321 B8R0.11 CCN(CC)CSC#N 269956a_100000042499_100000211825 [0,1,0,0,0,0|1,0,1]=3 322 B8R0.11 CCN(CC)CSC#N 269982a_100000724800_100000211825 [0,1,0,0,0,0|1,0,1]=3 323 B8R0.11 CCN(CF)CCOC 269982a_100000731262_100015361967 [0,1,0,0,0,0|1,0,0]=2 324 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.11 CCNN=C(CC)CC 4a_100000756455_100000210860 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,1,0,0,0,0|2,0,0]=3 330 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,1,0,0,0,0|2,0,0]=3 331 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.11 CCOCN(CC)CC 269956a_100000042499_100000739092 [0,1,0,0,0,0|1,0,0]=2 334 B8R0.11 CCOCN(CC)CC 269982a_100000724800_100000739092 [0,1,0,0,0,0|1,0,0]=2 335 B8R0.11 CCOCN(CC)CC 7a_200015374951_100000210202 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,1,0,0,0,0|2,0,0]=3 338 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,1,0,0,0,0|2,0,0]=3 340 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.11 COCCC(OC)OC 34a_100138415774_100000139399 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.11 NCC(CN)OCCO 34a_100000031598_100000211926 [0,1,0,0,0,0|3,0,0]=4 343 B8R0.11 OCCNC(CO)CO 2230a_100000759517_100000211926 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.11 OCCOC(CCl)CCl 7a_100000737055_100000211926 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.11 OCCOC(CF)CF 34a_100000032261_100000211926 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.11 OCCOC(CF)CF 7a_100000032261_100000211926 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.11 OCCO[C@@H](CF)CCl 34a_100015614560_100000211926 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.11 OCCO[C@@H](CF)CCl 7a_100015614560_100000211926 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,1,0,0,0,0|1,0,2]=4 350 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,1,0,0,0,0|1,0,2]=4 352 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,1,0,0,0,0|1,0,2]=4 353 B8R0.15 C#CCN(CC)C(C)C 2230a_100000223864_100000038162 [0,1,0,0,0,0|1,0,1]=3 354 B8R0.15 C#CCN(CC)C(C)C 2230a_100000744766_100000210206 [0,1,0,0,0,0|1,0,1]=3 355 B8R0.15 C#CCN(CC)C(C)C 269982a_100000744766_100000210206 [0,1,0,0,0,0|1,0,1]=3 356 B8R0.15 C=CCN(CC)C(C)C 2230a_100000223864_100000210623 [0,1,0,0,0,0|1,0,1]=3 357 B8R0.15 C=CCN(CC)C(C)C 2230a_100000742772_100000210202 [0,1,0,0,0,0|1,0,1]=3 358 B8R0.15 C=CCN(CC)C(C)C 269982a_100000223864_100000210623 [0,1,0,0,0,0|1,0,1]=3 359 B8R0.15 C=CCN(CC)C(C)C 269982a_100000742772_100000204670 [0,1,0,0,0,0|1,0,1]=3 360 B8R0.15 C=CCN(CF)C(C)C 269982a_100000742772_100015361967 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.15 CC(C)C(CCO)N[13CH3] 2230a_100161115045_200025704644 [0,1,0,0,0,0|2,0,0]=3 362 B8R0.15 CC(C)C(CCO)N[13CH3] 34a_100161115045_200025704644 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.15 CC(C)N(CF)CCO 269982a_100000224655_100015361967 [0,1,0,0,0,0|1,0,0]=2 364 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [0,1,0,0,0,0|3,0,0]=4 370 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [0,1,0,0,0,0|3,0,0]=4 371 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,1,0,0,0,0|3,0,0]=4 375 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,1,0,0,0,0|3,0,0]=4 378 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,1,0,0,0,0|3,0,0]=4 379 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,1,0,0,0,0|3,0,0]=4 380 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,1,0,0,0,0|1,0,1]=3 381 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,1,0,0,0,0|1,0,1]=3 382 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,1,0,0,0,0|1,0,1]=3 384 B8R0.15 CCCN(CC)C(C)C 2230a_100000223864_100000210303 [0,1,0,0,0,0|1,0,0]=2 385 B8R0.15 CCCN(CC)C(C)C 2230a_100000226822_100000210206 [0,1,0,0,0,0|1,0,0]=2 386 B8R0.15 CCCN(CC)C(C)C 2230a_106256033942_100000210202 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.15 CCCN(CC)C(C)C 269982a_100000223864_100000210303 [0,1,0,0,0,0|1,0,0]=2 388 B8R0.15 CCCN(CC)C(C)C 269982a_100000226822_100000210206 [0,1,0,0,0,0|1,0,0]=2 389 B8R0.15 CCCN(CC)C(C)C 269982a_106256033942_100000204670 [0,1,0,0,0,0|1,0,0]=2 390 B8R0.15 CCCN(CF)C(C)C 269982a_106256033942_100015361967 [0,1,0,0,0,0|2,0,0]=3 391 B8R0.15 CCN(CC#N)C(C)C 2230a_100000223864_100011215382 [0,1,0,0,0,0|1,0,1]=3 392 B8R0.15 CCN(CC#N)C(C)C 269982a_100000223864_100011214920 [0,1,0,0,0,0|1,0,1]=3 393 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,1,0,0,0,0|0,0,2]=3 394 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,1,0,0,0,0|0,0,2]=3 395 B8R0.15 CCN(CCF)C(C)C 2230a_100000223864_100011217306 [0,1,0,0,0,0|1,0,0]=2 396 B8R0.15 CCN(CCF)C(C)C 269982a_100000223864_100011217306 [0,1,0,0,0,0|1,0,0]=2 397 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,1,0,0,0,0|0,0,1]=2 398 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,1,0,0,0,0|0,0,1]=2 399 B8R0.15 CCN(CCO)C(C)C 2230a_100000210973_100000210206 [0,1,0,0,0,0|0,0,0]=1 400 B8R0.15 CCN(CCO)C(C)C 2230a_100000223864_100000211926 [0,1,0,0,0,0|0,0,0]=1 401 B8R0.15 CCN(CCO)C(C)C 2230a_100000224655_100000210202 [0,1,0,0,0,0|0,0,0]=1 402 B8R0.15 CCN(CCO)C(C)C 269982a_100000210973_100000210206 [0,1,0,0,0,0|0,0,0]=1 403 B8R0.15 CCN(CCO)C(C)C 269982a_100000223864_100000211926 [0,1,0,0,0,0|0,0,0]=1 404 B8R0.15 CCN(CCO)C(C)C 269982a_100000224655_100000204670 [0,1,0,0,0,0|0,0,0]=1 405 B8R0.15 CCN(COC)C(C)C 2230a_100000223864_100000766300 [0,1,0,0,0,0|2,0,0]=3 406 B8R0.15 CCN(COC)C(C)C 269982a_100000223864_100000766300 [0,1,0,0,0,0|2,0,0]=3 407 B8R0.15 CCN(CSC)C(C)C 2230a_100000223864_100011218213 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.15 CCN(CSC)C(C)C 269982a_100000223864_100011218213 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.15 CNC(CCO)C(C)C 2230a_100161115045_200000210301 [0,1,0,0,0,0|2,0,0]=3 416 B8R0.15 CNC(CCO)C(C)C 34a_100161115045_200000210301 [0,1,0,0,0,0|2,0,0]=3 417 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,1,0,0,0,0|1,0,1]=3 418 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,1,0,0,0,0|1,0,1]=3 419 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,1,0,0,0,0|1,0,1]=3 420 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,1,0,0,0,0|1,0,1]=3 421 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.16 C=C(C)CN(CC)CF 269982a_100000211296_100015361967 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.16 C=C(F)CN(CC)CC 2230a_100000724800_100009893438 [0,1,0,0,0,0|1,0,1]=3 424 B8R0.16 C=C(F)CN(CC)CC 269956a_100000042499_100000042424 [0,1,0,0,0,0|1,0,1]=3 425 B8R0.16 C=C(F)CN(CC)CC 269982a_100000724800_100009893438 [0,1,0,0,0,0|1,0,1]=3 426 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,1,0,0,0,0|3,0,0]=4 428 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [0,1,0,0,0,0|3,0,0]=4 431 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,1,0,0,0,0|3,0,0]=4 432 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,0|0,0,2]=3 435 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,1,0,0,0,0|0,0,2]=3 436 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,1,0,0,0,0|0,0,2]=3 437 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,1,0,0,0,0|0,0,2]=3 438 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,0|0,0,1]=2 439 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,0|0,0,2]=3 440 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,1,0,0,0,0|0,0,2]=3 441 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,1,0,0,0,0|0,0,2]=3 442 B8R0.16 CCN(CC)CC(C)C 2230a_100000724800_100000210760 [0,1,0,0,0,0|1,0,0]=2 443 B8R0.16 CCN(CC)CC(C)C 2230a_100000738554_100000210202 [0,1,0,0,0,0|1,0,0]=2 444 B8R0.16 CCN(CC)CC(C)C 269956a_100000042499_100000210760 [0,1,0,0,0,0|1,0,0]=2 445 B8R0.16 CCN(CC)CC(C)C 269982a_100000724800_100000210624 [0,1,0,0,0,0|1,0,0]=2 446 B8R0.16 CCN(CC)CC(C)C 269982a_100000738554_100000204670 [0,1,0,0,0,0|1,0,0]=2 447 B8R0.16 CCN(CC)CC(C)C 270004a_100000724800_100000210432 [0,1,0,0,0,0|1,0,0]=2 448 B8R0.16 CCN(CC)CC(C)O 2230a_100000724800_100011218427 [0,1,0,0,0,0|0,0,0]=1 449 B8R0.16 CCN(CC)CC(C)O 269956a_100000042499_100011218427 [0,1,0,0,0,0|0,0,0]=1 450 B8R0.16 CCN(CC)CC(C)O 269982a_100000724800_100011218427 [0,1,0,0,0,0|0,0,0]=1 451 B8R0.16 CCN(CC)CC(F)F 2230a_100000724800_100011934356 [0,1,0,0,0,0|1,0,0]=2 452 B8R0.16 CCN(CC)CC(F)F 269956a_100000042499_100011934356 [0,1,0,0,0,0|1,0,0]=2 453 B8R0.16 CCN(CC)CC(F)F 269982a_100000724800_100011934356 [0,1,0,0,0,0|1,0,0]=2 454 B8R0.16 CCN(CC)C[C@@H](C)O 2230a_100000724800_100009817552 [0,1,0,0,0,0|0,0,0]=1 455 B8R0.16 CCN(CC)C[C@@H](C)O 269956a_100000042499_100009817552 [0,1,0,0,0,0|0,0,0]=1 456 B8R0.16 CCN(CC)C[C@@H](C)O 269982a_100000724800_100009817552 [0,1,0,0,0,0|0,0,0]=1 457 B8R0.16 CCN(CC)C[C@H](C)O 2230a_100000729506_100000210202 [0,1,0,0,0,0|0,0,0]=1 458 B8R0.16 CCN(CC)C[C@H](C)O 269982a_100000729506_100000204670 [0,1,0,0,0,0|0,0,0]=1 459 B8R0.16 CCN(CC)C[N+](=O)[O-] 269956a_100000042499_100000761209 [0,1,0,0,0,0|1,0,1]=3 460 B8R0.16 CCN(CC)C[N+](=O)[O-] 269982a_100000724800_100000761209 [0,1,0,0,0,0|1,0,1]=3 461 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,0|1,0,1]=3 462 B8R0.16 CCN(CF)CC(C)C 269982a_100000738554_100015361967 [0,1,0,0,0,0|2,0,0]=3 463 B8R0.16 CCN(CF)C[C@H](C)O 269982a_100000729506_100015361967 [0,1,0,0,0,0|1,0,0]=2 464 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,0,0,0,0|1,0,2]=4 465 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,0|2,0,1]=4 466 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,0|2,0,1]=4 467 B8R0.20 C#CC(C)N(CC)CC 269956a_100000042499_200000035995 [0,1,0,0,0,0|1,0,1]=3 468 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,1,0,0,0,0|1,0,2]=4 469 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,1,0,0,0,0|1,0,2]=4 470 B8R0.20 C=CC(C)N(CC)CC 269956a_100000042499_100011215867 [0,1,0,0,0,0|1,0,1]=3 471 B8R0.20 C=CC(C)N(CC)CC 269982a_100000724800_100011215867 [0,1,0,0,0,0|1,0,1]=3 472 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,0,0,0,0|2,0,1]=4 473 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,0,0,0,0|2,0,1]=4 474 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,1,0,0,0,0|1,0,1]=3 475 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,1,0,0,0,0|1,0,1]=3 476 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,1,0,0,0,0|1,0,1]=3 477 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,1,0,0,0,0|1,0,1]=3 478 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [0,1,0,0,0,0|1,0,0]=2 479 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [0,1,0,0,0,0|1,0,0]=2 480 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [0,1,0,0,0,0|1,0,0]=2 481 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [0,1,0,0,0,0|1,0,0]=2 482 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [0,1,0,0,0,0|1,0,0]=2 483 B8R0.20 CCC(C)N(CC)CF 269982a_100000732650_100015361967 [0,1,0,0,0,0|2,0,0]=3 484 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,1,0,0,0,0|2,0,1]=4 485 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,0,0,0,0|1,0,1]=3 486 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,1,0,0,0,0|3,0,0]=4 487 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,1,0,0,0,0|3,0,0]=4 488 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [0,1,0,0,0,0|3,0,0]=4 489 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [0,1,0,0,0,0|3,0,0]=4 491 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [0,1,0,0,0,0|3,0,0]=4 492 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [0,1,0,0,0,0|3,0,0]=4 493 B8R0.20 CCC(CC)N(C)CF 269982a_100000737045_100015361967 [0,1,0,0,0,0|3,0,0]=4 494 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [0,1,0,0,0,0|3,0,0]=4 495 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [0,1,0,0,0,0|3,0,0]=4 496 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,1,0,0,0,0|0,0,1]=2 497 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,1,0,0,0,0|0,0,1]=2 498 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,1,0,0,0,0|2,0,1]=4 499 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,1,0,0,0,0|2,0,1]=4 500 B8R0.20 CCN(CC)C(C)C#N 2230a_100000724800_100000184139 [0,1,0,0,0,0|1,0,1]=3 501 B8R0.20 CCN(CC)C(C)C#N 269956a_100000042499_100000184139 [0,1,0,0,0,0|1,0,1]=3 502 B8R0.20 CCN(CC)C(C)C#N 269982a_100000724800_100000703298 [0,1,0,0,0,0|1,0,1]=3 503 B8R0.20 CCN(CC)C(C)CO 2230a_100000724800_100012180447 [0,1,0,0,0,0|0,0,0]=1 504 B8R0.20 CCN(CC)C(C)CO 2230a_100000731049_100000210202 [0,1,0,0,0,0|0,0,0]=1 505 B8R0.20 CCN(CC)C(C)CO 269982a_100000731049_100000204670 [0,1,0,0,0,0|0,0,0]=1 506 B8R0.20 CCN(CC)C(C)OC 269956a_100000042499_100009879195 [0,1,0,0,0,0|2,0,0]=3 507 B8R0.20 CCN(CC)C(C)OC 269982a_100000724800_100009879195 [0,1,0,0,0,0|2,0,0]=3 508 B8R0.20 CCN(CC)[C@H](C)CO 269956a_100000042499_100016084084 [0,1,0,0,0,0|0,0,0]=1 509 B8R0.20 CCN(CC)[C@H](C)CO 269982a_100000724800_100016084084 [0,1,0,0,0,0|0,0,0]=1 510 B8R0.20 CCN(CF)C(C)CO 269982a_100000731049_100015361967 [0,1,0,0,0,0|1,0,0]=2 511 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [0,1,0,0,0,0|2,0,1]=4 512 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [0,1,0,0,0,0|2,0,1]=4 513 B8R0.22 C#CCN(CC)CC#C 2230a_100000744766_100000038162 [0,1,0,0,0,0|1,0,2]=4 514 B8R0.22 C#CCN(CC)CC#C 2230a_100000765449_100000210202 [0,1,0,0,0,0|1,0,2]=4 515 B8R0.22 C#CCN(CC)CC#C 34a_100000765449_100000210202 [0,1,0,0,0,0|1,0,2]=4 516 B8R0.22 C#CCN(CC)CC#N 2230a_100000744766_100011215382 [0,1,0,0,0,0|1,0,2]=4 517 B8R0.22 C#CCN(CC)CC#N 269982a_100000744766_100011214920 [0,1,0,0,0,0|1,0,2]=4 518 B8R0.22 C#CCN(CC)CC=C 2230a_100000731024_100000210202 [0,1,0,0,0,0|1,0,2]=4 519 B8R0.22 C#CCN(CC)CC=C 2230a_100000744766_100000210623 [0,1,0,0,0,0|1,0,2]=4 520 B8R0.22 C#CCN(CC)CC=C 269982a_100000744766_100000210623 [0,1,0,0,0,0|1,0,2]=4 521 B8R0.22 C#CCN(CC)CC=C 34a_100000731024_100000210202 [0,1,0,0,0,0|1,0,2]=4 522 B8R0.22 C#CCN(CC)CC=O 2230a_100000744766_200015260668 [0,1,0,0,0,0|0,0,3]=4 523 B8R0.22 C#CCN(CC)CC=O 269982a_100000744766_200015260668 [0,1,0,0,0,0|0,0,3]=4 524 B8R0.22 C#CCN(CC)CCC 2230a_100000226822_100000038162 [0,1,0,0,0,0|1,0,1]=3 525 B8R0.22 C#CCN(CC)CCC 2230a_100000744766_100000210303 [0,1,0,0,0,0|1,0,1]=3 526 B8R0.22 C#CCN(CC)CCC 269982a_100000744766_100000210303 [0,1,0,0,0,0|1,0,1]=3 527 B8R0.22 C#CCN(CC)CCF 2230a_100000744766_100011217306 [0,1,0,0,0,0|1,0,1]=3 528 B8R0.22 C#CCN(CC)CCF 269982a_100000744766_100011217306 [0,1,0,0,0,0|1,0,1]=3 529 B8R0.22 C#CCN(CC)CCO 2230a_100000210973_100000038162 [0,1,0,0,0,0|0,0,1]=2 530 B8R0.22 C#CCN(CC)CCO 2230a_100000744766_100000211926 [0,1,0,0,0,0|0,0,1]=2 531 B8R0.22 C#CCN(CC)CCO 269982a_100000744766_100000211926 [0,1,0,0,0,0|0,0,1]=2 532 B8R0.22 C#CCN(CC)COC 2230a_100000744766_100000766300 [0,1,0,0,0,0|1,0,1]=3 533 B8R0.22 C#CCN(CC)COC 269982a_100000744766_100000766300 [0,1,0,0,0,0|1,0,1]=3 534 B8R0.22 C#CCN(CC)CSC 2230a_100000744766_100011218213 [0,1,0,0,0,0|1,0,1]=3 535 B8R0.22 C#CCN(CC)CSC 269982a_100000744766_100011218213 [0,1,0,0,0,0|1,0,1]=3 536 B8R0.22 C=CCN(CC)CC=C 2230a_100000210471_100000210202 [0,1,0,0,0,0|1,0,2]=4 537 B8R0.22 C=CCN(CC)CC=C 269982a_100000210471_100000204670 [0,1,0,0,0,0|1,0,2]=4 538 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,1,0,0,0,0|1,0,1]=3 539 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,1,0,0,0,0|1,0,1]=3 540 B8R0.22 C=CCN(CC)CCO 2230a_100000210973_100000210623 [0,1,0,0,0,0|0,0,1]=2 541 B8R0.22 C=CCN(CC)CCO 269982a_100000210973_100000210623 [0,1,0,0,0,0|0,0,1]=2 542 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,1,0,0,0,0|3,0,0]=4 543 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,1,0,0,0,0|2,0,0]=3 544 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,1,0,0,0,0|2,0,0]=3 545 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,1,0,0,0,0|2,0,0]=3 546 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,1,0,0,0,0|2,0,0]=3 547 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,1,0,0,0,0|3,0,0]=4 548 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,1,0,0,0,0|3,0,0]=4 549 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,1,0,0,0,0|2,0,0]=3 550 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,1,0,0,0,0|2,0,0]=3 551 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,1,0,0,0,0|3,0,0]=4 552 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,1,0,0,0,0|3,0,0]=4 553 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,1,0,0,0,0|3,0,0]=4 555 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,1,0,0,0,0|3,0,0]=4 558 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,1,0,0,0,0|3,0,0]=4 564 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,1,0,0,0,0|3,0,0]=4 567 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.22 CCCN(CC)CC#N 2230a_100000226822_100011215382 [0,1,0,0,0,0|1,0,1]=3 570 B8R0.22 CCCN(CC)CC#N 269982a_100000226822_100011214920 [0,1,0,0,0,0|1,0,1]=3 571 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,1,0,0,0,0|0,0,2]=3 572 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,1,0,0,0,0|0,0,2]=3 573 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [0,1,0,0,0,0|1,0,0]=2 574 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [0,1,0,0,0,0|1,0,0]=2 575 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [0,1,0,0,0,0|1,0,0]=2 576 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [0,1,0,0,0,0|1,0,0]=2 577 B8R0.22 CCCN(CC)CCF 2230a_100000226822_100011217306 [0,1,0,0,0,0|1,0,0]=2 578 B8R0.22 CCCN(CC)CCF 269982a_100000226822_100011217306 [0,1,0,0,0,0|1,0,0]=2 579 B8R0.22 CCCN(CC)CCO 2230a_100000210973_100000210303 [0,1,0,0,0,0|0,0,0]=1 580 B8R0.22 CCCN(CC)CCO 2230a_100000211420_100000210202 [0,1,0,0,0,0|0,0,0]=1 581 B8R0.22 CCCN(CC)CCO 2230a_100000226822_100000211926 [0,1,0,0,0,0|0,0,0]=1 582 B8R0.22 CCCN(CC)CCO 269982a_100000210973_100000210303 [0,1,0,0,0,0|0,0,0]=1 583 B8R0.22 CCCN(CC)CCO 269982a_100000211420_100000204670 [0,1,0,0,0,0|0,0,0]=1 584 B8R0.22 CCCN(CC)CCO 269982a_100000226822_100000211926 [0,1,0,0,0,0|0,0,0]=1 585 B8R0.22 CCCN(CC)COC 2230a_100000226822_100000766300 [0,1,0,0,0,0|1,0,0]=2 586 B8R0.22 CCCN(CC)COC 269982a_100000226822_100000766300 [0,1,0,0,0,0|1,0,0]=2 587 B8R0.22 CCCN(CC)CSC 2230a_100000226822_100011218213 [0,1,0,0,0,0|1,0,0]=2 588 B8R0.22 CCCN(CC)CSC 269982a_100000226822_100011218213 [0,1,0,0,0,0|1,0,0]=2 589 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [0,1,0,0,0,0|2,0,0]=3 590 B8R0.22 CCCN(CF)CCO 269982a_100000211420_100015361967 [0,1,0,0,0,0|1,0,0]=2 591 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,1,0,0,0,0|2,0,0]=3 592 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,1,0,0,0,0|2,0,0]=3 593 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,1,0,0,0,0|2,0,0]=3 594 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,1,0,0,0,0|2,0,0]=3 595 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,1,0,0,0,0|3,0,0]=4 596 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.22 CCN(CC#N)CCO 2230a_100000210973_100011215382 [0,1,0,0,0,0|0,0,1]=2 598 B8R0.22 CCN(CC#N)CCO 269982a_100000210973_100011214920 [0,1,0,0,0,0|0,0,1]=2 599 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,1,0,0,0,0|0,0,1]=2 600 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,1,0,0,0,0|0,0,1]=2 601 B8R0.22 CCN(CCO)CCF 2230a_100000210973_100011217306 [0,1,0,0,0,0|0,0,0]=1 602 B8R0.22 CCN(CCO)CCF 269982a_100000210973_100011217306 [0,1,0,0,0,0|0,0,0]=1 603 B8R0.22 CCN(CCO)CCO 2230a_100000210587_100000210202 [0,1,0,0,0,0|0,0,0]=1 604 B8R0.22 CCN(CCO)CCO 2230a_100000210973_100000211926 [0,1,0,0,0,0|0,0,0]=1 605 B8R0.22 CCN(CCO)CCO 269982a_100000210587_100000204670 [0,1,0,0,0,0|0,0,0]=1 606 B8R0.22 CCN(CCO)CCO 269982a_100000210973_100000211926 [0,1,0,0,0,0|0,0,0]=1 607 B8R0.22 CCN(CCO)COC 2230a_100000210973_100000766300 [0,1,0,0,0,0|0,0,0]=1 608 B8R0.22 CCN(CCO)COC 269982a_100000210973_100000766300 [0,1,0,0,0,0|0,0,0]=1 609 B8R0.22 CCN(CCO)CSC 2230a_100000210973_100011218213 [0,1,0,0,0,0|0,0,0]=1 610 B8R0.22 CCN(CCO)CSC 269982a_100000210973_100011218213 [0,1,0,0,0,0|0,0,0]=1 611 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.22 CCN[C@H](CC)CC#N 2230a_200009818565_100000210202 [0,1,0,0,0,0|2,0,1]=4 614 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,1,0,0,0,0|3,0,0]=4 615 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,1,0,0,0,0|3,0,0]=4 616 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,1,0,0,0,0|3,0,0]=4 617 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,1,0,0,0,0|3,0,0]=4 618 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,1,0,0,0,0|3,0,0]=4 619 B8R0.22 OCCN(CF)CCO 269982a_100000210587_100015361967 [0,1,0,0,0,0|1,0,0]=2 620 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [0,1,0,0,0,0|3,0,0]=4 621 B8R0.31 CCC(C)(CC)SCF 62a_100009817345_100015361967 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.31 CCC(C)(CC)SCF 62a_100015361967_100009817345 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.31 CCCC(C)(CC)NC 7a_106832991635_200000040151 [0,1,0,0,0,0|3,0,0]=4 624 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,1,0,0,0,0|3,0,0]=4 628 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,1,0,0,0,0|3,0,0]=4 629 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [0,1,0,0,0,0|3,0,0]=4 632 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [0,1,0,0,0,0|3,0,0]=4 633 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,0,0,1,0,0|3,0,0]=4 634 B8R1.1 CCN1CCC(C1)O 2230a_100011215560_100000210202 [0,0,0,1,0,0|0,0,0]=1 635 B8R1.1 CCN1CCC(C1)O 269982a_100011215560_100000204670 [0,0,0,1,0,0|0,0,0]=1 636 B8R1.1 CCN1CC[C@@H](C1)F 2230a_100015203821_100000210202 [0,0,0,1,0,0|1,0,0]=2 637 B8R1.1 CCN1CC[C@@H](C1)F 269982a_100015203821_100000204670 [0,0,0,1,0,0|1,0,0]=2 638 B8R1.1 CCN1CC[C@@H](C1)F 34a_100015203821_100000210202 [0,0,0,1,0,0|1,0,0]=2 639 B8R1.1 CCN1CC[C@H](C1)C 2230a_100016987628_100000210202 [0,0,0,1,0,0|1,0,0]=2 640 B8R1.1 CCN1CC[C@H](C1)C 269982a_100016987628_100000204670 [0,0,0,1,0,0|1,0,0]=2 641 B8R1.1 CCN1CC[C@H](C1)C 34a_100016987628_100000210202 [0,0,0,1,0,0|1,0,0]=2 642 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,0|1,0,2]=4 643 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,0,0,1,0,0|3,0,0]=4 644 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,0,0,1,0,0|2,0,0]=3 645 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,0,0,1,0,0|2,0,0]=3 646 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,0,0,1,0,0|3,0,0]=4 647 B8R1.1 C[C@@H]1CCN(C1)CF 269982a_100016987628_100015361967 [0,0,0,1,0,0|2,0,0]=3 648 B8R1.1 C[C@@H]1CCN(C1)CF 34a_100016987628_100015361967 [0,0,0,1,0,0|2,0,0]=3 649 B8R1.1 FCN1CC[C@@H](C1)F 269982a_100015203821_100015361967 [0,0,0,1,0,0|2,0,0]=3 650 B8R1.1 FCN1CC[C@@H](C1)F 34a_100015203821_100015361967 [0,0,0,1,0,0|2,0,0]=3 651 B8R1.1 OC1CCN(C1)CF 269982a_100011215560_100015361967 [0,0,0,1,0,0|1,0,0]=2 652 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,0,0,1,0,0|2,0,0]=3 653 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,0,0,1,0,0|1,0,1]=3 654 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,0,0,1,0,0|1,0,1]=3 655 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,0,0,1,0,0|1,0,1]=3 656 B8R1.2 CCN1CCCOC1 2230a_100000131196_100000210202 [0,0,0,1,0,0|2,0,0]=3 657 B8R1.2 CCN1CCCOC1 269982a_100000131196_100000204670 [0,0,0,1,0,0|2,0,0]=3 658 B8R1.2 CCN1CCCOC1 34a_100000131196_100000210202 [0,0,0,1,0,0|2,0,0]=3 659 B8R1.2 CCN1CCOCC1 2230a_100015191051_100000210202 [0,0,0,1,0,0|0,0,0]=1 660 B8R1.2 CCN1CCOCC1 269982a_100015191051_100000204670 [0,0,0,1,0,0|0,0,0]=1 661 B8R1.2 CCN1CCOCC1 34a_100015191051_100000210202 [0,0,0,1,0,0|0,0,0]=1 662 B8R1.2 CCN1CCSCC1 2230a_100000737611_100000210202 [0,0,0,1,0,0|0,1,0]=2 663 B8R1.2 CCN1CCSCC1 269982a_100000737611_100000204670 [0,0,0,1,0,0|0,1,0]=2 664 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 665 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,0,0,1,0,0|3,0,0]=4 666 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,0,0,1,0,0|3,0,0]=4 667 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,0,0,1,0,0|3,0,0]=4 668 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,0,0,1,0,0|3,0,0]=4 669 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,0,0,1,0,0|3,0,0]=4 670 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,0,0,1,0,0|2,0,0]=3 671 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,0,0,1,0,0|2,0,0]=3 672 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,0,0,1,0,0|2,0,0]=3 673 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,0,0,1,0,0|2,0,0]=3 674 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,0,0,1,0,0|2,1,0]=4 675 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,0,0,1,0,0|2,1,0]=4 676 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,0,0,1,0,0|2,1,0]=4 677 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,0,0,1,0,0|2,1,0]=4 678 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,0,0,1,0,0|2,1,0]=4 679 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 680 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,0,0,1,0,0|3,0,0]=4 681 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,0,0,1,0,0|3,0,0]=4 682 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,0,0,1,0,0|2,0,0]=3 683 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,0,0,1,0,0|2,1,0]=4 684 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,0,0,1,0,0|2,1,0]=4 685 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,0,0,1,0,0|2,1,0]=4 686 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,0,0,1,0,0|3,0,0]=4 687 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,0,0,1,0,0|3,0,0]=4 688 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,0,0,1,0,0|2,0,0]=3 689 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,0,0,1,0,0|2,1,0]=4 690 B8R1.2 FCN1CC=CCC1 269982a_100000698166_100015361967 [0,0,0,1,0,0|2,0,1]=4 691 B8R1.2 FCN1CC=CCC1 34a_100000698166_100015361967 [0,0,0,1,0,0|2,0,1]=4 692 B8R1.2 FCN1CCCOC1 269982a_100000131196_100015361967 [0,0,0,1,0,0|3,0,0]=4 693 B8R1.2 FCN1CCCOC1 34a_100000131196_100015361967 [0,0,0,1,0,0|3,0,0]=4 694 B8R1.2 FCN1CCOCC1 269982a_100015191051_100015361967 [0,0,0,1,0,0|1,0,0]=2 695 B8R1.2 FCN1CCOCC1 34a_100015191051_100015361967 [0,0,0,1,0,0|1,0,0]=2 696 B8R1.2 FCN1CCSCC1 269982a_100000737611_100015361967 [0,0,0,1,0,0|1,1,0]=3 697 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 698 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,0,0,1,0,0|3,0,0]=4 699 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,0,0,1,0,0|2,0,0]=3 700 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,0,0,1,0,0|2,0,0]=3 701 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,0,0,1,0,0|2,1,0]=4 702 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,0,0,1,0,0|2,1,0]=4 703 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 704 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,0,0,1,0,0|3,0,0]=4 705 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,0,0,1,0,0|2,0,0]=3 706 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,0,0,1,0,0|2,1,0]=4 707 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,0,0,1,0,0|2,1,0]=4 708 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,0,0,1,0,0|3,0,0]=4 709 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,0,0,1,0,0|3,0,0]=4 710 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,0,0,1,0,0|2,0,0]=3 711 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,0,0,1,0,0|2,1,0]=4 712 B8R1.8 C#CCN1CCCC1 2230a_100000188435_100000038162 [0,0,0,1,0,0|1,0,1]=3 713 B8R1.8 C#CCN1CCSC1 2230a_100011215254_100000038162 [0,0,0,1,0,0|2,0,1]=4 714 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,0,0,1,0,0|1,0,1]=3 715 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,0,0,1,0,0|1,0,1]=3 716 B8R1.8 C=CCN1CCSC1 2230a_100011215254_100000210623 [0,0,0,1,0,0|2,0,1]=4 717 B8R1.8 C=CCN1CCSC1 269982a_100011215254_100000210623 [0,0,0,1,0,0|2,0,1]=4 718 B8R1.8 CCCN1CC=CC1 269982a_100015195280_100000210303 [0,0,0,1,0,0|1,0,2]=4 719 B8R1.8 CCCN1CCCC1 2230a_100000188435_100000210303 [0,0,0,1,0,0|1,0,0]=2 720 B8R1.8 CCCN1CCCC1 269982a_100000188435_100000210303 [0,0,0,1,0,0|1,0,0]=2 721 B8R1.8 CCCN1CCSC1 2230a_100011215254_100000210303 [0,0,0,1,0,0|2,0,0]=3 722 B8R1.8 CCCN1CCSC1 269982a_100011215254_100000210303 [0,0,0,1,0,0|2,0,0]=3 723 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,0,0,1,0,0|3,0,0]=4 724 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,0,0,1,0,0|3,0,0]=4 725 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,0,0,1,0,0|3,0,0]=4 726 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,0,0,1,0,0|3,0,0]=4 727 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 728 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,0,0,1,0,0|3,0,0]=4 729 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,0,0,1,0,0|3,0,0]=4 730 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,0,0,1,0,0|3,0,0]=4 731 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,0,0,1,0,0|3,0,0]=4 732 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 733 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 734 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,0,0,1,0,0|3,0,0]=4 735 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,0,0,1,0,0|3,0,0]=4 736 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,0,0,1,0,0|3,0,0]=4 737 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,0,0,1,0,0|3,0,0]=4 738 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 739 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,0,0,1,0,0|3,0,0]=4 740 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,0,0,1,0,0|3,0,0]=4 741 B8R1.8 COCN1CCCC1 2230a_100000188435_100000766300 [0,0,0,1,0,0|2,0,0]=3 742 B8R1.8 COCN1CCCC1 269982a_100000188435_100000766300 [0,0,0,1,0,0|2,0,0]=3 743 B8R1.8 COCN1CCSC1 2230a_100011215254_100000766300 [0,0,0,1,0,0|3,0,0]=4 744 B8R1.8 COCN1CCSC1 269982a_100011215254_100000766300 [0,0,0,1,0,0|3,0,0]=4 745 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,0,0,1,0,0|3,0,0]=4 746 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,0,0,1,0,0|3,0,0]=4 747 B8R1.8 CSCN1CCCC1 2230a_100000188435_100011218213 [0,0,0,1,0,0|2,0,0]=3 748 B8R1.8 CSCN1CCCC1 269982a_100000188435_100011218213 [0,0,0,1,0,0|2,0,0]=3 749 B8R1.8 CSCN1CCSC1 2230a_100011215254_100011218213 [0,0,0,1,0,0|3,0,0]=4 750 B8R1.8 CSCN1CCSC1 269982a_100011215254_100011218213 [0,0,0,1,0,0|3,0,0]=4 751 B8R1.8 FCCN1CC=CC1 269982a_100015195280_100011217306 [0,0,0,1,0,0|1,0,2]=4 752 B8R1.8 FCCN1CCCC1 2230a_100000188435_100011217306 [0,0,0,1,0,0|1,0,0]=2 753 B8R1.8 FCCN1CCCC1 269982a_100000188435_100011217306 [0,0,0,1,0,0|1,0,0]=2 754 B8R1.8 FCCN1CCSC1 2230a_100011215254_100011217306 [0,0,0,1,0,0|2,0,0]=3 755 B8R1.8 FCCN1CCSC1 269982a_100011215254_100011217306 [0,0,0,1,0,0|2,0,0]=3 756 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,0,0,1,0,0|3,0,0]=4 757 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,0,0,1,0,0|3,0,0]=4 758 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,0,0,1,0,0|3,0,0]=4 759 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,0,0,1,0,0|3,0,0]=4 760 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,0,0,1,0,0|3,0,0]=4 761 B8R1.8 N#CCN1CCCC1 2230a_100000188435_100011215382 [0,0,0,1,0,0|1,0,1]=3 762 B8R1.8 N#CCN1CCCC1 269982a_100000188435_100011214920 [0,0,0,1,0,0|1,0,1]=3 763 B8R1.8 N#CCN1CCSC1 2230a_100011215254_100011215382 [0,0,0,1,0,0|2,0,1]=4 764 B8R1.8 N#CCN1CCSC1 269982a_100011215254_100011214920 [0,0,0,1,0,0|2,0,1]=4 765 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,0,0,1,0,0|0,0,2]=3 766 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,0,0,1,0,0|0,0,2]=3 767 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,0,0,1,0,0|1,0,2]=4 768 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,0,0,1,0,0|1,0,2]=4 769 B8R1.8 OCCN1CC=CC1 269982a_100015195280_100000211926 [0,0,0,1,0,0|0,0,2]=3 770 B8R1.8 OCCN1CCCC1 2230a_100000188435_100000211926 [0,0,0,1,0,0|0,0,0]=1 771 B8R1.8 OCCN1CCCC1 269982a_100000188435_100000211926 [0,0,0,1,0,0|0,0,0]=1 772 B8R1.8 OCCN1CCSC1 2230a_100011215254_100000211926 [0,0,0,1,0,0|1,0,0]=2 773 B8R1.8 OCCN1CCSC1 269982a_100011215254_100000211926 [0,0,0,1,0,0|1,0,0]=2 774 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 775 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,0,0,1,0,0|3,0,0]=4 776 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 777 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,0,0,1,0,0|3,0,0]=4 778 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,0,0,1,0,0|3,0,0]=4 779 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,0,0,1,0,0|3,0,0]=4 780 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 781 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 782 B8R1.11 CC1SCCN1CF 269982a_200011216479_100015361967 [0,0,0,1,0,0|1,1,0]=3 783 B8R1.11 CC1SCCN1CF 34a_200011216479_100015361967 [0,0,0,1,0,0|1,1,0]=3 784 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 785 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 786 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 787 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 788 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 789 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 790 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|1,0,0]=2 791 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|1,0,0]=2 792 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|1,0,0]=2 793 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|1,0,0]=2 794 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|1,0,0]=2 795 B8R1.11 CCN1CCSC1C 2230a_200011216479_100000210202 [0,0,0,1,0,0|0,1,0]=2 796 B8R1.11 CCN1CCSC1C 269982a_200011216479_100000204670 [0,0,0,1,0,0|0,1,0]=2 797 B8R1.11 CCN1CCSC1C 34a_200011216479_100000210202 [0,0,0,1,0,0|0,1,0]=2 798 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,0,0,1,0,0|3,0,0]=4 799 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,0,0,1,0,0|2,0,0]=3 800 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 801 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 802 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,0,0,1,0,0|2,0,0]=3 803 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,0,0,1,0,0|2,0,0]=3 804 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,0,0,1,0,0|2,0,0]=3 805 B8R1.13 C#CCN1CCC1C 34a_100000755817_100000184674 [0,0,0,1,0,0|1,0,1]=3 806 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,0,0,1,0,0|1,0,1]=3 807 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,0,0,1,0,0|1,0,1]=3 808 B8R1.13 CC1CCN1CC#N 269982a_100000755817_100011214920 [0,0,0,1,0,0|1,0,1]=3 809 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,0,0,1,0,0|0,0,2]=3 810 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,0,0,1,0,0|0,0,2]=3 811 B8R1.13 CC1CCN1CCF 269982a_100000755817_100011217306 [0,0,0,1,0,0|1,0,0]=2 812 B8R1.13 CC1CCN1CCF 34a_100000755817_100011217306 [0,0,0,1,0,0|1,0,0]=2 813 B8R1.13 CC1CCN1CCO 269982a_100000755817_100000211926 [0,0,0,1,0,0|0,0,0]=1 814 B8R1.13 CC1CCN1CCO 34a_100000755817_100000211926 [0,0,0,1,0,0|0,0,0]=1 815 B8R1.13 CCCN1CCC1C 269982a_100000755817_100000210303 [0,0,0,1,0,0|1,0,0]=2 816 B8R1.13 CCCN1CCC1C 34a_100000755817_100000210303 [0,0,0,1,0,0|1,0,0]=2 817 B8R1.13 COCN1CCC1C 269982a_100000755817_100000766300 [0,0,0,1,0,0|2,0,0]=3 818 B8R1.13 CSCN1CCC1C 269982a_100000755817_100011218213 [0,0,0,1,0,0|2,0,0]=3 819 B8R1.13 CSCN1CCC1C 34a_100000755817_100011218213 [0,0,0,1,0,0|2,0,0]=3 820 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,0,0,1,0,0|3,0,0]=4 821 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,0,0,1,0,0|3,0,0]=4 822 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,0,0,1,0,0|3,0,0]=4 823 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,0,0,1,0,0|3,0,0]=4 824 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,0,0,1,0,0|3,0,0]=4 825 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,0,0,1,0,0|3,0,0]=4 826 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,0,0,1,0,0|3,0,0]=4 827 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,0,0,1,0,0|3,0,0]=4 828 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,0,0,1,0,0|3,0,0]=4 829 B8R1.33 CCN(CC)C1CC1 2230a_100000738653_100000210202 [0,0,0,1,0,0|1,0,0]=2 830 B8R1.33 CCN(CC)C1CC1 269956a_100000042499_100000211595 [0,0,0,1,0,0|1,0,0]=2 831 B8R1.33 CCN(CC)C1CC1 269982a_100000724800_100000211595 [0,0,0,1,0,0|1,0,0]=2 832 B8R1.33 CCN(CC)C1CC1 269982a_100000738653_100000204670 [0,0,0,1,0,0|1,0,0]=2 833 B8R1.33 CCN(CF)C1CC1 269982a_100000738653_100015361967 [0,0,0,1,0,0|2,0,0]=3 834 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,1,0,0|0,0,0]=1 835 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,1,0,0|0,0,0]=1 836 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,0,0,1,0,0|1,0,0]=2 837 B8R1.82 CCCC1(CC1)NC 2230a_100015185929_200000210301 [0,0,0,1,0,0|3,0,0]=4 838 B8R1.82 CCCC1(CC1)N[13CH3] 2230a_100015185929_200025704644 [0,0,0,1,0,0|3,0,0]=4 839 B8R1.82 CCNC1(CC1)CC 2230a_100000732774_100000210202 [0,0,0,1,0,0|3,0,0]=4 840 B5R0.1 C#CCN(C)C 2230a_100000225692_200000210301 [2,0,0,0,0,0|1,0,1]=4 841 B5R0.1 C#CCN(C)C 2230a_100102631434_100000038162 [2,0,0,0,0,0|1,0,1]=4 842 B5R0.1 C#CCN(C)C 34a_100000225692_200000210301 [2,0,0,0,0,0|1,0,1]=4 843 B5R0.1 C#CCN(C)[13CH3] 2230a_100000225692_200025704644 [2,0,0,0,0,0|1,0,1]=4 844 B5R0.1 C#CCN(C)[13CH3] 34a_100000225692_200025704644 [2,0,0,0,0,0|1,0,1]=4 845 B5R0.1 C=CCN(C)C 2230a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 846 B5R0.1 C=CCN(C)C 2230a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 847 B5R0.1 C=CCN(C)C 269982a_100000225617_200000210301 [2,0,0,0,0,0|1,0,1]=4 848 B5R0.1 C=CCN(C)C 269982a_100102631434_100000210623 [2,0,0,0,0,0|1,0,1]=4 849 B5R0.1 C=CCN(C)[13CH3] 2230a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 850 B5R0.1 C=CCN(C)[13CH3] 269982a_100000225617_200025704644 [2,0,0,0,0,0|1,0,1]=4 851 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 852 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 853 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 854 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 855 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 856 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 857 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 858 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 859 B5R0.1 CN(C)CC#N 2230a_100000748184_200000210301 [2,0,0,0,0,0|1,0,1]=4 860 B5R0.1 CN(C)CC#N 2230a_100102631434_100011215382 [2,0,0,0,0,0|1,0,1]=4 861 B5R0.1 CN(C)CC#N 269982a_100102631434_100011214920 [2,0,0,0,0,0|1,0,1]=4 862 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|0,0,2]=4 863 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|0,0,2]=4 864 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|1,0,0]=3 865 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|1,0,0]=3 866 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|0,0,0]=2 867 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|0,0,0]=2 868 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|0,0,0]=2 869 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|0,0,0]=2 870 B5R0.1 CN([13CH3])CC#N 2230a_100000748184_200025704644 [2,0,0,0,0,0|1,0,1]=4 871 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|0,0,0]=2 872 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|0,0,0]=2 873 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 874 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 875 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 876 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 877 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 878 B5R0.2 C#CCNCC 2230a_100015525214_100000038162 [2,0,0,0,0,0|1,0,1]=4 879 B5R0.2 C#CCNCC 34a_100000212058_100000210202 [2,0,0,0,0,0|1,0,1]=4 880 B5R0.2 C=CCNCC 2230a_100015525214_100000210623 [2,0,0,0,0,0|1,0,1]=4 881 B5R0.2 C=CCNCC 2230a_100020586998_100000210202 [2,0,0,0,0,0|1,0,1]=4 882 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|1,0,0]=3 883 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|2,0,0]=4 884 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|2,0,0]=4 886 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|2,0,0]=4 887 B5R0.2 CCNCC#N 2230a_100015525214_100011215382 [2,0,0,0,0,0|1,0,1]=4 888 B5R0.2 CCNCC=O 2230a_100015525214_200015260668 [2,0,0,0,0,0|0,0,2]=4 889 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|1,0,0]=3 890 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|1,0,0]=3 891 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|0,0,0]=2 892 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|0,0,0]=2 893 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|0,0,0]=2 894 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [2,0,0,0,0,0|2,0,0]=4 895 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [2,0,0,0,0,0|2,0,0]=4 896 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 898 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 899 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 900 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 901 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,0]=3 903 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 904 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|2,0,0]=4 907 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|2,0,0]=4 909 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|2,0,0]=4 910 B5R0.2 FCCNCF 34a_100000724931_100015361967 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|1,0,0]=3 912 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 913 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 914 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|2,0,0]=4 915 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|2,0,0]=4 916 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 917 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,1]=4 918 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|2,0,0]=4 920 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 921 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|2,0,0]=4 922 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 923 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|2,0,0]=4 924 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 925 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 926 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 927 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|2,0,0]=4 928 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|2,0,0]=4 929 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|2,0,0]=4 930 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|2,0,0]=4 931 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|0,0,0]=2 932 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|0,0,0]=2 933 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|0,0,0]=2 934 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|0,0,0]=2 935 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|0,0,0]=2 936 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [2,0,0,0,0,0|1,0,0]=3 937 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|0,0,0]=2 938 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|0,0,0]=2 939 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|0,0,0]=2 940 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 941 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|2,0,0]=4 942 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|2,0,0]=4 945 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 946 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 947 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|2,0,0]=4 948 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 949 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 950 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|2,0,0]=4 951 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [1,1,0,0,0,0|1,0,1]=4 953 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [1,1,0,0,0,0|1,0,1]=4 954 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [1,1,0,0,0,0|1,0,1]=4 956 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [1,1,0,0,0,0|1,0,1]=4 957 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [1,1,0,0,0,0|1,0,1]=4 958 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [1,1,0,0,0,0|1,0,1]=4 959 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [1,1,0,0,0,0|1,0,1]=4 960 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [1,1,0,0,0,0|1,0,1]=4 961 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [1,1,0,0,0,0|1,0,0]=3 963 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|2,0,0]=4 964 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,1,0,0,0,0|0,0,2]=4 966 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,1,0,0,0,0|0,0,2]=4 967 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,1,0,0,0,0|0,0,2]=4 968 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,1,0,0,0,0|0,0,2]=4 969 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|0,0,1]=3 970 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|0,0,1]=3 971 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,1,0,0,0,0|0,0,2]=4 972 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,1,0,0,0,0|0,0,2]=4 973 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|1,0,0]=3 974 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|1,0,0]=3 975 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|1,0,0]=3 978 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|1,0,0]=3 979 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|0,0,0]=2 980 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|0,0,0]=2 981 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|0,0,0]=2 982 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|0,0,0]=2 983 B7R0.2 CCN(C)CC(F)F 2230a_100000225621_100011934356 [1,1,0,0,0,0|1,0,0]=3 984 B7R0.2 CCN(C)CC(F)F 269982a_100000225621_100011934356 [1,1,0,0,0,0|1,0,0]=3 985 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|0,0,0]=2 986 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|0,0,0]=2 987 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|0,0,0]=2 988 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|0,0,0]=2 989 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|0,0,1]=3 991 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|1,0,0]=3 992 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|1,0,0]=3 993 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|0,0,0]=2 994 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|0,0,0]=2 995 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|1,0,1]=4 996 B7R0.3 C#CCCN(C)CC 2230a_100000225621_100000688953 [1,1,0,0,0,0|1,0,0]=3 997 B7R0.3 C#CCCN(C)CC 269982a_100000225621_100000730999 [1,1,0,0,0,0|1,0,0]=3 998 B7R0.3 C/C=C/CN(C)CC 269982a_100000225621_100102629194 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.3 C=CCCN(C)CC 2230a_100000225621_100000754431 [1,1,0,0,0,0|1,0,0]=3 1000 B7R0.3 C=CCCN(C)CC 2230a_100020639649_100000210202 [1,1,0,0,0,0|1,0,0]=3 1001 B7R0.3 C=CCCN(C)CC 269982a_100000225621_100000754431 [1,1,0,0,0,0|1,0,0]=3 1002 B7R0.3 C=CCCN(C)CC 269982a_100020639649_100000204670 [1,1,0,0,0,0|1,0,0]=3 1003 B7R0.3 C=CCCN(C)CF 269982a_100020639649_100015361967 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.3 CC#CCN(C)CC 2230a_100000225621_100000748600 [1,1,0,0,0,0|1,0,1]=4 1005 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|2,0,0]=4 1009 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|2,0,0]=4 1011 B7R0.3 CC=CCN(C)CC 2230a_100000225621_100000070051 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|2,0,0]=4 1013 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1020 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1021 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|2,0,0]=4 1022 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,0]=3 1026 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,0]=3 1027 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,0]=3 1028 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|2,0,0]=4 1032 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,0]=3 1033 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1034 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,0]=3 1036 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,0]=3 1037 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1038 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|2,0,0]=4 1039 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|1,0,0]=3 1040 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|1,0,0]=3 1041 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|1,0,0]=3 1042 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|1,0,0]=3 1043 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|1,0,0]=3 1044 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|1,0,0]=3 1045 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,1,0,0,0,0|2,0,0]=4 1046 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|1,0,0]=3 1047 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|1,0,0]=3 1048 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|2,0,0]=4 1051 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|2,0,0]=4 1052 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|2,0,0]=4 1053 B7R0.3 CCN(C)CCC#N 2230a_100000184479_100000210202 [1,1,0,0,0,0|1,0,0]=3 1054 B7R0.3 CCN(C)CCC#N 2230a_100000225621_100011215226 [1,1,0,0,0,0|1,0,0]=3 1055 B7R0.3 CCN(C)CCC#N 2230a_100000226048_200000210301 [1,1,0,0,0,0|1,0,0]=3 1056 B7R0.3 CCN(C)CCC#N 269982a_100000225621_100011215226 [1,1,0,0,0,0|1,0,0]=3 1057 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,1,0,0,0,0|1,0,0]=3 1058 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,1,0,0,0,0|1,0,0]=3 1059 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|0,0,0]=2 1060 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|0,0,0]=2 1061 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|0,0,0]=2 1062 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|0,0,0]=2 1063 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|0,0,0]=2 1064 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|0,0,0]=2 1065 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|0,0,0]=2 1066 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|0,0,0]=2 1067 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|0,0,0]=2 1068 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|0,0,0]=2 1069 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|0,1,0]=3 1070 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|0,1,0]=3 1071 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|0,1,0]=3 1072 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|0,1,0]=3 1073 B7R0.3 CCN(C)CSC#N 269982a_100000225621_100000211825 [1,1,0,0,0,0|1,0,1]=4 1074 B7R0.3 CCN([13CH3])CCC#N 2230a_100000226048_200025704644 [1,1,0,0,0,0|1,0,0]=3 1075 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|0,0,0]=2 1076 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|0,0,0]=2 1077 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|2,0,0]=4 1081 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|2,0,0]=4 1082 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|1,0,0]=3 1083 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|2,0,0]=4 1084 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|2,0,0]=4 1085 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|2,0,0]=4 1086 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|2,0,0]=4 1087 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|2,0,0]=4 1088 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|2,0,0]=4 1089 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|2,0,0]=4 1091 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|2,0,0]=4 1092 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [1,1,0,0,0,0|1,0,0]=3 1093 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1094 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1095 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|2,0,0]=4 1096 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|2,0,0]=4 1097 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1098 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [1,1,0,0,0,0|1,0,0]=3 1099 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [1,1,0,0,0,0|1,1,0]=4 1100 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|2,0,0]=4 1101 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|2,0,0]=4 1102 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|2,0,0]=4 1103 B7R0.5 C#CCN(C)C(C)C 2230a_100000225692_100000210206 [1,1,0,0,0,0|1,0,1]=4 1104 B7R0.5 C#CCN(C)C(C)C 34a_100000225692_100000210206 [1,1,0,0,0,0|1,0,1]=4 1105 B7R0.5 C=CCN(C)C(C)C 2230a_100000225617_100000210206 [1,1,0,0,0,0|1,0,1]=4 1106 B7R0.5 C=CCN(C)C(C)C 2230a_100000742772_200000210301 [1,1,0,0,0,0|1,0,1]=4 1107 B7R0.5 C=CCN(C)C(C)C 269982a_100000225617_100000210206 [1,1,0,0,0,0|1,0,1]=4 1108 B7R0.5 C=CCN(C)C(C)C 269982a_100000742772_200000210301 [1,1,0,0,0,0|1,0,1]=4 1109 B7R0.5 C=CCN(C)C(C)C 269982a_200000211004_100000210623 [1,1,0,0,0,0|1,0,1]=4 1110 B7R0.5 C=CCN([13CH3])C(C)C 2230a_100000742772_200025704644 [1,1,0,0,0,0|1,0,1]=4 1111 B7R0.5 C=CCN([13CH3])C(C)C 269982a_100000742772_200025704644 [1,1,0,0,0,0|1,0,1]=4 1112 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|1,0,1]=4 1113 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|0,0,1]=3 1114 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|0,0,1]=3 1115 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.5 CC(C)N(C)CC#N 2230a_100000748184_100000210206 [1,1,0,0,0,0|1,0,1]=4 1118 B7R0.5 CC(C)N(C)CC#N 269982a_200000211004_100011214920 [1,1,0,0,0,0|1,0,1]=4 1119 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|0,0,2]=4 1120 B7R0.5 CC(C)N(C)CCF 269982a_200000211004_100011217306 [1,1,0,0,0,0|1,0,0]=3 1121 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,1,0,0,0,0|0,0,0]=2 1122 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,1,0,0,0,0|0,0,0]=2 1123 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,1,0,0,0,0|0,0,0]=2 1124 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,1,0,0,0,0|0,0,0]=2 1125 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,1,0,0,0,0|0,0,0]=2 1126 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,1,0,0,0,0|0,0,0]=2 1127 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,1,0,0,0,0|0,0,0]=2 1128 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1129 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [1,1,0,0,0,0|2,0,0]=4 1130 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1131 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [1,1,0,0,0,0|2,0,0]=4 1132 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1133 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|2,0,0]=4 1135 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|1,0,1]=4 1136 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|1,0,1]=4 1137 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|1,0,1]=4 1139 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|1,0,0]=3 1140 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|1,0,0]=3 1141 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|1,0,0]=3 1142 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|1,0,0]=3 1143 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|1,0,0]=3 1144 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|1,0,0]=3 1145 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|1,0,0]=3 1146 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.5 CSCN(C)C(C)C 269982a_200000211004_100011218213 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|2,0,0]=4 1150 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [1,1,0,0,0,0|1,0,1]=4 1151 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [1,1,0,0,0,0|1,0,1]=4 1152 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [1,1,0,0,0,0|1,0,1]=4 1153 B7R0.7 C#CCN(C)CCF 2230a_100000225692_100011217306 [1,1,0,0,0,0|1,0,1]=4 1154 B7R0.7 C#CCN(C)CCF 34a_100000225692_100011217306 [1,1,0,0,0,0|1,0,1]=4 1155 B7R0.7 C#CCN(C)CCO 2230a_100000210263_100000038162 [1,1,0,0,0,0|0,0,1]=3 1156 B7R0.7 C#CCN(C)CCO 2230a_100000225692_100000211926 [1,1,0,0,0,0|0,0,1]=3 1157 B7R0.7 C#CCN(C)CCO 34a_100000225692_100000211926 [1,1,0,0,0,0|0,0,1]=3 1158 B7R0.7 C#CCN(C)COC 2230a_100000225692_100000766300 [1,1,0,0,0,0|1,0,1]=4 1159 B7R0.7 C#CCN(C)CSC 2230a_100000225692_100011218213 [1,1,0,0,0,0|1,0,1]=4 1160 B7R0.7 C#CCN(C)CSC 34a_100000225692_100011218213 [1,1,0,0,0,0|1,0,1]=4 1161 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|1,0,1]=4 1162 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|1,0,1]=4 1163 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|1,0,1]=4 1164 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|1,0,1]=4 1165 B7R0.7 C=CCN(C)CCF 2230a_100000225617_100011217306 [1,1,0,0,0,0|1,0,1]=4 1166 B7R0.7 C=CCN(C)CCF 269982a_100000225617_100011217306 [1,1,0,0,0,0|1,0,1]=4 1167 B7R0.7 C=CCN(C)CCO 2230a_100000210263_100000210623 [1,1,0,0,0,0|0,0,1]=3 1168 B7R0.7 C=CCN(C)CCO 2230a_100000225617_100000211926 [1,1,0,0,0,0|0,0,1]=3 1169 B7R0.7 C=CCN(C)CCO 269982a_100000210263_100000210623 [1,1,0,0,0,0|0,0,1]=3 1170 B7R0.7 C=CCN(C)CCO 269982a_100000225617_100000211926 [1,1,0,0,0,0|0,0,1]=3 1171 B7R0.7 C=CCN(C)COC 2230a_100000225617_100000766300 [1,1,0,0,0,0|1,0,1]=4 1172 B7R0.7 C=CCN(C)COC 269982a_100000225617_100000766300 [1,1,0,0,0,0|1,0,1]=4 1173 B7R0.7 C=CCN(C)CSC 2230a_100000225617_100011218213 [1,1,0,0,0,0|1,0,1]=4 1174 B7R0.7 C=CCN(C)CSC 269982a_100000225617_100011218213 [1,1,0,0,0,0|1,0,1]=4 1175 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|2,0,0]=4 1176 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1177 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|2,0,0]=4 1178 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|2,0,0]=4 1179 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|2,0,0]=4 1180 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|2,0,0]=4 1187 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|2,0,0]=4 1188 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|2,0,0]=4 1189 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|2,0,0]=4 1190 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|2,0,0]=4 1191 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|2,0,0]=4 1192 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|2,0,0]=4 1193 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|2,0,0]=4 1194 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|2,0,0]=4 1196 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 1197 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|2,0,0]=4 1199 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|2,0,0]=4 1200 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|2,0,0]=4 1201 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [1,1,0,0,0,0|1,0,1]=4 1202 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [1,1,0,0,0,0|1,0,1]=4 1203 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [1,1,0,0,0,0|1,0,1]=4 1204 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|0,0,2]=4 1205 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|0,0,2]=4 1206 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|1,0,0]=3 1207 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|1,0,0]=3 1208 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|1,0,0]=3 1209 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|1,0,0]=3 1210 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,1,0,0,0,0|1,0,0]=3 1211 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,1,0,0,0,0|1,0,0]=3 1212 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|0,0,0]=2 1213 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|0,0,0]=2 1214 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|0,0,0]=2 1215 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|0,0,0]=2 1216 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|0,0,0]=2 1217 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|0,0,0]=2 1218 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|1,0,0]=3 1219 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|1,0,0]=3 1220 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,1,0,0,0,0|1,0,0]=3 1221 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,1,0,0,0,0|1,0,0]=3 1222 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|1,0,0]=3 1223 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|1,0,0]=3 1224 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|0,0,0]=2 1225 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|0,0,0]=2 1226 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|2,0,0]=4 1227 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|1,0,0]=3 1228 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 1229 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 1230 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,1,0,0,0,0|2,0,0]=4 1231 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,0]=3 1232 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,0]=3 1233 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1234 B7R0.7 CN(CC#N)CCF 2230a_100000748184_100011217306 [1,1,0,0,0,0|1,0,1]=4 1235 B7R0.7 CN(CC#N)CCO 2230a_100000210263_100011215382 [1,1,0,0,0,0|0,0,1]=3 1236 B7R0.7 CN(CC#N)CCO 2230a_100000748184_100000211926 [1,1,0,0,0,0|0,0,1]=3 1237 B7R0.7 CN(CC#N)CCO 269982a_100000210263_100011214920 [1,1,0,0,0,0|0,0,1]=3 1238 B7R0.7 CN(CC=O)CCO 2230a_100000210263_200015260668 [1,1,0,0,0,0|0,0,1]=3 1239 B7R0.7 CN(CC=O)CCO 269982a_100000210263_200015260668 [1,1,0,0,0,0|0,0,1]=3 1240 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [1,1,0,0,0,0|0,0,0]=2 1241 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [1,1,0,0,0,0|0,0,0]=2 1242 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|0,0,0]=2 1243 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|0,0,0]=2 1244 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|0,0,0]=2 1245 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|0,0,0]=2 1246 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|2,0,0]=4 1247 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|2,0,0]=4 1248 B7R0.7 COCN(C)CC#N 2230a_100000748184_100000766300 [1,1,0,0,0,0|1,0,1]=4 1249 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [1,1,0,0,0,0|0,0,0]=2 1250 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [1,1,0,0,0,0|0,0,0]=2 1251 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|2,0,0]=4 1252 B7R0.7 CSCN(C)CC#N 2230a_100000748184_100011218213 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [1,1,0,0,0,0|0,0,0]=2 1254 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [1,1,0,0,0,0|0,0,0]=2 1255 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|2,0,0]=4 1257 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|0,0,0]=2 1259 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|0,0,0]=2 1260 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [1,1,0,0,0,0|1,0,1]=4 1261 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [1,1,0,0,0,0|1,0,0]=3 1262 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1264 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1265 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1266 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|1,0,1]=4 1267 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|1,0,1]=4 1268 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [1,1,0,0,0,0|1,0,0]=3 1269 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [1,1,0,0,0,0|1,0,0]=3 1270 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [1,1,0,0,0,0|1,0,0]=3 1271 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [1,1,0,0,0,0|1,0,0]=3 1272 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [1,1,0,0,0,0|1,0,0]=3 1273 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [1,1,0,0,0,0|1,0,0]=3 1274 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [1,1,0,0,0,0|1,0,0]=3 1276 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [1,1,0,0,0,0|1,0,0]=3 1277 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|0,0,1]=3 1278 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|0,0,1]=3 1279 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [1,1,0,0,0,0|1,0,1]=4 1281 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [1,1,0,0,0,0|0,0,0]=2 1282 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [1,1,0,0,0,0|0,0,0]=2 1283 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [1,1,0,0,0,0|0,0,0]=2 1284 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [1,1,0,0,0,0|0,0,0]=2 1285 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [1,1,0,0,0,0|0,0,0]=2 1286 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [1,1,0,0,0,0|2,0,0]=4 1287 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [1,1,0,0,0,0|0,0,0]=2 1288 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [1,1,0,0,0,0|0,0,0]=2 1289 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [1,1,0,0,0,0|0,0,0]=2 1290 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [1,1,0,0,0,0|2,0,0]=4 1291 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,1]=4 1293 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,1]=4 1294 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1297 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [1,1,0,0,0,0|2,0,0]=4 1298 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [1,1,0,0,0,0|2,0,0]=4 1299 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [1,1,0,0,0,0|2,0,0]=4 1305 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [1,1,0,0,0,0|2,0,0]=4 1306 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,1,0,0,0,0|0,0,1]=3 1307 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,1,0,0,0,0|0,0,1]=3 1308 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,1,0,0,0,0|0,0,1]=3 1309 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,1,0,0,0,0|0,0,1]=3 1310 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [1,1,0,0,0,0|0,0,0]=2 1311 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [1,1,0,0,0,0|0,0,0]=2 1312 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [1,1,0,0,0,0|0,0,0]=2 1313 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [1,1,0,0,0,0|0,0,0]=2 1314 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [1,1,0,0,0,0|0,0,0]=2 1315 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [1,1,0,0,0,0|1,0,0]=3 1316 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1319 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|2,0,0]=4 1320 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [1,1,0,0,0,0|2,0,0]=4 1321 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|2,0,0]=4 1322 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|2,0,0]=4 1323 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|2,0,0]=4 1324 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|2,0,0]=4 1325 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|2,0,0]=4 1326 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [1,1,0,0,0,0|2,0,0]=4 1327 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [1,1,0,0,0,0|2,0,0]=4 1328 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [1,1,0,0,0,0|2,0,0]=4 1329 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [1,1,0,0,0,0|2,0,0]=4 1330 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [1,1,0,0,0,0|2,0,0]=4 1331 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [1,1,0,0,0,0|2,0,0]=4 1332 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [1,1,0,0,0,0|2,0,0]=4 1333 B9R0.13 C#CCCN(CC)C(C)C 2230a_100000223864_100000688953 [0,2,0,0,0,0|1,0,0]=3 1334 B9R0.13 C#CCCN(CC)C(C)C 269982a_100000223864_100000730999 [0,2,0,0,0,0|1,0,0]=3 1335 B9R0.13 C/C=C/CN(CC)C(C)C 269982a_100000223864_100102629194 [0,2,0,0,0,0|1,0,1]=4 1336 B9R0.13 C=CCCN(CC)C(C)C 2230a_100000223864_100000754431 [0,2,0,0,0,0|1,0,0]=3 1337 B9R0.13 C=CCCN(CC)C(C)C 269982a_100000223864_100000754431 [0,2,0,0,0,0|1,0,0]=3 1338 B9R0.13 CC#CCN(CC)C(C)C 2230a_100000223864_100000748600 [0,2,0,0,0,0|1,0,1]=4 1339 B9R0.13 CC(C)C(CN)OCCO 34a_100000759067_100000211926 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.13 CC(C)N(CF)CCCO 269982a_100000182298_100015361967 [0,2,0,0,0,0|1,0,0]=3 1341 B9R0.13 CC(C)[C@H](CO)NCCO 2230a_100011830312_100000211926 [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.13 CC(C)[C@H](CO)NCCO 34a_100011830312_100000211926 [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.13 CC=CCN(CC)C(C)C 2230a_100000223864_100000070051 [0,2,0,0,0,0|1,0,1]=4 1344 B9R0.13 CCC(COCF)C(C)C 34a_100011995916_100015361967 [0,2,0,0,0,0|2,0,0]=4 1345 B9R0.13 CCC(COCF)C(C)C 7a_100011995916_100015361967 [0,2,0,0,0,0|2,0,0]=4 1346 B9R0.13 CCC(NCCO)C(C)C 270004a_100000210304_100000210600 [0,2,0,0,0,0|1,0,0]=3 1347 B9R0.13 CCC(OCCF)C(C)C 34a_100011218073_100011217306 [0,2,0,0,0,0|2,0,0]=4 1348 B9R0.13 CCC(OCCF)C(C)C 7a_100011218073_100011217306 [0,2,0,0,0,0|2,0,0]=4 1349 B9R0.13 CCC(OCCO)C(C)C 34a_100011218073_100000211926 [0,2,0,0,0,0|1,0,0]=3 1350 B9R0.13 CCC(OCCO)C(C)C 7a_100011218073_100000211926 [0,2,0,0,0,0|1,0,0]=3 1351 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,2,0,0,0,0|1,0,1]=4 1352 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,2,0,0,0,0|1,0,1]=4 1353 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,2,0,0,0,0|1,0,1]=4 1354 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,2,0,0,0,0|1,0,1]=4 1355 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207398_100000210202 [0,2,0,0,0,0|1,0,0]=3 1356 B9R0.13 CCCCN(CC)C(C)C 2230a_100000207695_100000210206 [0,2,0,0,0,0|1,0,0]=3 1357 B9R0.13 CCCCN(CC)C(C)C 2230a_100000223864_100000210211 [0,2,0,0,0,0|1,0,0]=3 1358 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207398_100000204670 [0,2,0,0,0,0|1,0,0]=3 1359 B9R0.13 CCCCN(CC)C(C)C 269982a_100000207695_100000210206 [0,2,0,0,0,0|1,0,0]=3 1360 B9R0.13 CCCCN(CC)C(C)C 269982a_100000223864_100000210211 [0,2,0,0,0,0|1,0,0]=3 1361 B9R0.13 CCCCN(CF)C(C)C 269982a_100000207398_100015361967 [0,2,0,0,0,0|2,0,0]=4 1362 B9R0.13 CCCNC(CC)C(C)C 270004a_100020643023_100000210600 [0,2,0,0,0,0|2,0,0]=4 1363 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [0,2,0,0,0,0|2,0,0]=4 1364 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [0,2,0,0,0,0|2,0,0]=4 1365 B9R0.13 CCCOC(CC)C(C)C 34a_100011218073_100000210303 [0,2,0,0,0,0|2,0,0]=4 1366 B9R0.13 CCCOC(CC)C(C)C 7a_100011218073_100000210303 [0,2,0,0,0,0|2,0,0]=4 1367 B9R0.13 CCN(CCC#N)C(=O)C 11a_100000226048_100015343762 [0,2,0,0,0,0|1,0,1]=4 1368 B9R0.13 CCN(CCC#N)C(=O)C 1626a_100000226048_100015343762 [0,2,0,0,0,0|1,0,1]=4 1369 B9R0.13 CCN(CCC#N)C(=O)C 240690a_100000226048_100015343762 [0,2,0,0,0,0|1,0,1]=4 1370 B9R0.13 CCN(CCC#N)C(=O)C 527a_100000226048_100103153847 [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.13 CCN(CCC#N)C(C)C 2230a_100000223864_100011215226 [0,2,0,0,0,0|1,0,0]=3 1372 B9R0.13 CCN(CCC#N)C(C)C 2230a_100000226048_100000210206 [0,2,0,0,0,0|1,0,0]=3 1373 B9R0.13 CCN(CCC#N)C(C)C 269982a_100000223864_100011215226 [0,2,0,0,0,0|1,0,0]=3 1374 B9R0.13 CCN(CCCF)C(C)C 2230a_100000223864_100011934791 [0,2,0,0,0,0|1,0,0]=3 1375 B9R0.13 CCN(CCCF)C(C)C 269982a_100000223864_100011934791 [0,2,0,0,0,0|1,0,0]=3 1376 B9R0.13 CCN(CCCO)C(C)C 2230a_100000182298_100000210202 [0,2,0,0,0,0|0,0,0]=2 1377 B9R0.13 CCN(CCCO)C(C)C 2230a_100000223864_100000230001 [0,2,0,0,0,0|0,0,0]=2 1378 B9R0.13 CCN(CCCO)C(C)C 269982a_100000182298_100000204670 [0,2,0,0,0,0|0,0,0]=2 1379 B9R0.13 CCN(CCCO)C(C)C 269982a_100000223864_100011215043 [0,2,0,0,0,0|0,0,0]=2 1380 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,2,0,0,0,0|0,0,1]=3 1381 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,2,0,0,0,0|0,0,1]=3 1382 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,2,0,0,0,0|0,0,1]=3 1383 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,2,0,0,0,0|0,0,1]=3 1384 B9R0.13 CCN(CCOC)C(C)C 2230a_100000223864_100011201679 [0,2,0,0,0,0|0,0,0]=2 1385 B9R0.13 CCN(CCOC)C(C)C 2230a_100000731262_100000210206 [0,2,0,0,0,0|0,0,0]=2 1386 B9R0.13 CCN(CCOC)C(C)C 2230a_200000223778_100000210202 [0,2,0,0,0,0|0,0,0]=2 1387 B9R0.13 CCN(CCOC)C(C)C 269982a_100000223864_100000233755 [0,2,0,0,0,0|0,0,0]=2 1388 B9R0.13 CCN(CCOC)C(C)C 269982a_100000731262_100000210206 [0,2,0,0,0,0|0,0,0]=2 1389 B9R0.13 CCN(CCOC)C(C)C 269982a_200000223778_100000204670 [0,2,0,0,0,0|0,0,0]=2 1390 B9R0.13 CCN(CCSC)C(C)C 2230a_100000223864_100000751147 [0,2,0,0,0,0|0,1,0]=3 1391 B9R0.13 CCN(CCSC)C(C)C 269982a_100000223864_100000212216 [0,2,0,0,0,0|0,1,0]=3 1392 B9R0.13 CCN(CSC#N)C(C)C 269982a_100000223864_100000211825 [0,2,0,0,0,0|1,0,1]=4 1393 B9R0.13 CCNCC(CC)C(C)C 269862a_100015525214_100011214906 [0,2,0,0,0,0|2,0,0]=4 1394 B9R0.13 CCOCC(CC)C(C)C 34a_100011995916_100000210202 [0,2,0,0,0,0|2,0,0]=4 1395 B9R0.13 CCOCC(CC)C(C)C 7a_100011995916_100000210202 [0,2,0,0,0,0|2,0,0]=4 1396 B9R0.13 CCOCN(CC)C(C)C 269982a_100000223864_100000739092 [0,2,0,0,0,0|1,0,0]=3 1397 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 2230a_100161114882_100011217306 [0,2,0,0,0,0|2,0,0]=4 1398 B9R0.13 CC[C@H](NCCF)[C@@H](C)O 34a_100161114882_100011217306 [0,2,0,0,0,0|2,0,0]=4 1399 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 2230a_100161114882_100000211926 [0,2,0,0,0,0|1,0,0]=3 1400 B9R0.13 CC[C@H](NCCO)[C@@H](C)O 34a_100161114882_100000211926 [0,2,0,0,0,0|1,0,0]=3 1401 B9R0.13 CC[C@H](NCOC)[C@@H](C)O 2230a_100161114882_100000766300 [0,2,0,0,0,0|2,0,0]=4 1402 B9R0.13 COCCN(CF)C(C)C 269982a_200000223778_100015361967 [0,2,0,0,0,0|1,0,0]=3 1403 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 2230a_100015196842_100000211926 [0,2,0,0,0,0|2,0,0]=4 1404 B9R0.13 C[C@@H](O)[C@@H](CO)NCCO 34a_100015196842_100000211926 [0,2,0,0,0,0|2,0,0]=4 1405 B9R0.26 C=C(C#N)CN(CC)CC 2230a_100000724800_100000694840 [0,2,0,0,0,0|1,0,1]=4 1406 B9R0.26 C=C(C#N)CN(CC)CC 269956a_100000042499_100000694840 [0,2,0,0,0,0|1,0,1]=4 1407 B9R0.26 C=C(C#N)CN(CC)CC 269982a_100000724800_100000694840 [0,2,0,0,0,0|1,0,1]=4 1408 B9R0.26 C=CC(O)CN(CC)CC 2230a_100000724800_100000730141 [0,2,0,0,0,0|0,0,0]=2 1409 B9R0.26 C=CC(O)CN(CC)CC 269956a_100000042499_100000730141 [0,2,0,0,0,0|0,0,0]=2 1410 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [0,2,0,0,0,0|2,0,0]=4 1411 B9R0.26 CCC(=O)CN(CC)CC 1458a_100000758533_100000210202 [0,2,0,0,0,0|1,0,0]=3 1412 B9R0.26 CCC(=O)CN(CC)CC 269956a_100000042499_100000747405 [0,2,0,0,0,0|1,0,0]=3 1413 B9R0.26 CCC(=O)CN(CC)CC 269982a_100000724800_100000747405 [0,2,0,0,0,0|1,0,0]=3 1414 B9R0.26 CCC(C)CN(CC)CC 2230a_100000724800_100000748023 [0,2,0,0,0,0|1,0,0]=3 1415 B9R0.26 CCC(C)CN(CC)CC 269956a_100000042499_100000748023 [0,2,0,0,0,0|1,0,0]=3 1416 B9R0.26 CCC(C)CN(CC)CC 269982a_100000724800_100000748023 [0,2,0,0,0,0|1,0,0]=3 1417 B9R0.26 CCC(C)CN(CC)CC 270004a_100000724800_100000243153 [0,2,0,0,0,0|1,0,0]=3 1418 B9R0.26 CCC(C)NC(CC)CC 2230a_100000199018_100000758301 [0,2,0,0,0,0|2,0,0]=4 1419 B9R0.26 CCC(C)NC(CC)CC 270004a_100000209981_100000210860 [0,2,0,0,0,0|2,0,0]=4 1420 B9R0.26 CCC(C)OC(CC)CC 7a_100000210228_100000210505 [0,2,0,0,0,0|2,0,0]=4 1421 B9R0.26 CCC(C)OC(CC)CC 7a_100000688536_100000758301 [0,2,0,0,0,0|2,0,0]=4 1422 B9R0.26 CCC(C)SC(CC)CC 62a_100000210505_100000758301 [0,2,0,0,0,0|2,0,0]=4 1423 B9R0.26 CCC(C)SC(CC)CC 62a_100000758301_100000210505 [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [0,2,0,0,0,0|1,0,0]=3 1425 B9R0.26 CCC(CC)CN(C)CC 2230a_100000225621_100011215472 [0,2,0,0,0,0|2,0,0]=4 1426 B9R0.26 CCC(CC)CN(C)CC 269982a_100000225621_100011215472 [0,2,0,0,0,0|2,0,0]=4 1427 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [0,2,0,0,0,0|1,0,1]=4 1428 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [0,2,0,0,0,0|1,0,1]=4 1429 B9R0.26 CCC(CC)NC(C)CO 2230a_100000199018_100012180447 [0,2,0,0,0,0|1,0,0]=3 1430 B9R0.26 CCC(CC)N[C@H](C)CF 270004a_100102880703_100000210860 [0,2,0,0,0,0|2,0,0]=4 1431 B9R0.26 CCC(CC)N[C@H](C)CO 270004a_100000737577_100000210860 [0,2,0,0,0,0|1,0,0]=3 1432 B9R0.26 CCC(CC)OC(C)CF 7a_100016041109_100000210505 [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.26 CCC(CC)OC(C)CO 7a_100000688536_100012180447 [0,2,0,0,0,0|1,0,0]=3 1434 B9R0.26 CCC(CC)SC(C)CO 62a_100012180447_100000210505 [0,2,0,0,0,0|1,0,0]=3 1435 B9R0.26 CCC(CC)SC(C)OC 62a_100000210505_100009879195 [0,2,0,0,0,0|2,0,0]=4 1436 B9R0.26 CCC(CC)SC(C)OC 62a_100009879195_100000210505 [0,2,0,0,0,0|2,0,0]=4 1437 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100000210505_100016084084 [0,2,0,0,0,0|1,0,0]=3 1438 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100016084084_100000210505 [0,2,0,0,0,0|1,0,0]=3 1439 B9R0.26 CCC(O)CN(CC)CC 2230a_100000724800_100011218378 [0,2,0,0,0,0|0,0,0]=2 1440 B9R0.26 CCC(O)CN(CC)CC 2230a_100011365200_100000210202 [0,2,0,0,0,0|0,0,0]=2 1441 B9R0.26 CCC(O)CN(CC)CC 269956a_100000042499_100011218378 [0,2,0,0,0,0|0,0,0]=2 1442 B9R0.26 CCC(O)CN(CC)CC 269982a_100000724800_100011218378 [0,2,0,0,0,0|0,0,0]=2 1443 B9R0.26 CCC(O)CN(CC)CC 269982a_100011365200_100000204670 [0,2,0,0,0,0|0,0,0]=2 1444 B9R0.26 CCC(O)CN(CC)CF 269982a_100011365200_100015361967 [0,2,0,0,0,0|1,0,0]=3 1445 B9R0.26 CCN(CC)CC(=O)CF 1458a_100000758533_100015361967 [0,2,0,0,0,0|1,0,0]=3 1446 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [0,2,0,0,0,0|0,0,2]=4 1447 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [0,2,0,0,0,0|0,0,2]=4 1448 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [0,2,0,0,0,0|0,0,2]=4 1449 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [0,2,0,0,0,0|0,0,2]=4 1450 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [0,2,0,0,0,0|0,0,2]=4 1451 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [0,2,0,0,0,0|0,0,2]=4 1452 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [0,2,0,0,0,0|0,0,2]=4 1453 B9R0.26 CCN(CC)CC(=O)OC 2230a_100000724800_100000747449 [0,2,0,0,0,0|0,0,1]=3 1454 B9R0.26 CCN(CC)CC(=O)OC 269956a_100000042499_100000747449 [0,2,0,0,0,0|0,0,1]=3 1455 B9R0.26 CCN(CC)CC(=O)OC 269982a_100000724800_100000747449 [0,2,0,0,0,0|0,0,1]=3 1456 B9R0.26 CCN(CC)CC(C)NC 2230a_100000238481_200000210301 [0,2,0,0,0,0|1,0,0]=3 1457 B9R0.26 CCN(CC)CC(C)N[13CH3] 2230a_100000238481_200025704644 [0,2,0,0,0,0|1,0,0]=3 1458 B9R0.26 CCN(CC)CC(O)CO 2230a_100000724800_100011219619 [0,2,0,0,0,0|0,0,0]=2 1459 B9R0.26 CCN(CC)CC(O)CO 269956a_100000042499_100011219619 [0,2,0,0,0,0|0,0,0]=2 1460 B9R0.26 CCN(CC)C[C@@H](C)CO 2230a_100000724800_100000059175 [0,2,0,0,0,0|0,0,0]=2 1461 B9R0.26 CCN(CC)C[C@@H](C)CO 269956a_100000042499_100000059175 [0,2,0,0,0,0|0,0,0]=2 1462 B9R0.26 CCN(CC)C[C@@H](C)CO 269982a_100000724800_100000059175 [0,2,0,0,0,0|0,0,0]=2 1463 B9R0.26 CCN(CC)C[C@@H](O)CF 2230a_100000724800_100015614560 [0,2,0,0,0,0|0,0,0]=2 1464 B9R0.26 CCN(CC)C[C@@H](O)CF 269956a_100000042499_100015614560 [0,2,0,0,0,0|0,0,0]=2 1465 B9R0.26 CCN(CC)C[C@@H](O)CO 2230a_100000724800_100009815848 [0,2,0,0,0,0|0,0,0]=2 1466 B9R0.26 CCN(CC)C[C@@H](O)CO 269956a_100000042499_100009815848 [0,2,0,0,0,0|0,0,0]=2 1467 B9R0.26 CC[C@@H](CO)NC(C)CO 2230a_100000709445_100012180447 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.26 CC[C@H](C)CN(CC)CC 2230a_100000724800_100009816398 [0,2,0,0,0,0|1,0,0]=3 1469 B9R0.26 CC[C@H](C)CN(CC)CC 269956a_100000042499_100009816398 [0,2,0,0,0,0|1,0,0]=3 1470 B9R0.26 CC[C@H](C)CN(CC)CC 269982a_100000724800_100009816398 [0,2,0,0,0,0|1,0,0]=3 1471 B9R0.37 C#CCC(=O)N(CC)CC 1626a_100000724800_100011220946 [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.37 C#CCC(=O)N(CC)CC 527a_100000724800_100011220946 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.37 C=CCC(=O)N(CC)CC 11a_100000724800_100000210193 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.37 C=CCC(=O)N(CC)CC 1626a_100000724800_100000210193 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.37 C=CCC(=O)N(CC)CC 240690a_100000724800_100000210193 [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.37 C=CCC(=O)N(CC)CC 527a_100000724800_100000210193 [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.37 CCC(CC)C(=O)CCF 1458a_100000211163_100011217306 [0,2,0,0,0,0|2,0,0]=4 1478 B9R0.37 CCC(CC)C(=O)CCO 1458a_100000211163_100000211926 [0,2,0,0,0,0|1,0,0]=3 1479 B9R0.37 CCC(CC)C(=O)CCO 1458a_100011216618_100000210505 [0,2,0,0,0,0|1,0,0]=3 1480 B9R0.37 CCC(CC)C(=O)COC 1458a_100000210968_100000210505 [0,2,0,0,0,0|1,0,1]=4 1481 B9R0.37 CCC(CC)N(C)CCF 2230a_100000737045_100011217306 [0,2,0,0,0,0|2,0,0]=4 1482 B9R0.37 CCC(CC)N(C)CCF 269982a_100000737045_100011217306 [0,2,0,0,0,0|2,0,0]=4 1483 B9R0.37 CCC(CC)N(C)CCO 2230a_100000737045_100000211926 [0,2,0,0,0,0|1,0,0]=3 1484 B9R0.37 CCC(CC)N(C)CCO 269982a_100000210263_100000210505 [0,2,0,0,0,0|1,0,0]=3 1485 B9R0.37 CCC(CC)N(C)CCO 269982a_100000737045_100000211926 [0,2,0,0,0,0|1,0,0]=3 1486 B9R0.37 CCC(CC)N(C)CCO 270004a_100000210263_100000210860 [0,2,0,0,0,0|1,0,0]=3 1487 B9R0.37 CCC(CC)N(C)COC 2230a_100000737045_100000766300 [0,2,0,0,0,0|2,0,0]=4 1488 B9R0.37 CCC(CC)N(C)COC 269982a_100000737045_100000766300 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.37 CCC(OC)C(=O)CCO 1458a_100000747056_100000211926 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211163_100000210303 [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.37 CCCC(=O)C(CC)CC 1458a_100000211992_100000210505 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.37 CCCC(=O)N(CC)CC 11a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 1493 B9R0.37 CCCC(=O)N(CC)CC 1626a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 1494 B9R0.37 CCCC(=O)N(CC)CC 240690a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 1495 B9R0.37 CCCC(=O)N(CC)CC 527a_100000724800_100000211992 [0,2,0,0,0,0|1,0,0]=3 1496 B9R0.37 CCCC(C)N(CC)CC 2230a_100000724800_100000766640 [0,2,0,0,0,0|1,0,0]=3 1497 B9R0.37 CCCC(C)N(CC)CC 269956a_100000042499_100000766640 [0,2,0,0,0,0|1,0,0]=3 1498 B9R0.37 CCCC(C)N(CC)CC 269982a_100000724800_100000766640 [0,2,0,0,0,0|1,0,0]=3 1499 B9R0.37 CCCC(C)N(CC)CC 270004a_100000724800_100000211909 [0,2,0,0,0,0|1,0,0]=3 1500 B9R0.37 CCCN(C)C(CC)CC 2230a_100000737045_100000210303 [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.37 CCCN(C)C(CC)CC 2230a_100015185089_200000210301 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.37 CCCN(C)C(CC)CC 269982a_100000737045_100000210303 [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.37 CCCN(C)C(CC)CC 269982a_100000747261_100000210505 [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.37 CCCN(C)C(CC)CC 269982a_100015185089_200000210301 [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.37 CCCN(C)C(CC)CC 270004a_100000747261_100000210860 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.37 CCCN([13CH3])C(CC)CC 2230a_100015185089_200025704644 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.37 CCCN([13CH3])C(CC)CC 269982a_100015185089_200025704644 [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.37 CCN(CC)C(=O)CC#N 1626a_100000724800_100051588842 [0,2,0,0,0,0|1,0,1]=4 1509 B9R0.37 CCN(CC)C(=O)CC#N 240690a_100000724800_100051588842 [0,2,0,0,0,0|1,0,1]=4 1510 B9R0.37 CCN(CC)C(=O)CCO 240690a_100000724800_100011216618 [0,2,0,0,0,0|0,0,0]=2 1511 B9R0.37 CCN(CC)C(=O)CNC 2230a_100000174916_200000210301 [0,2,0,0,0,0|1,0,1]=4 1512 B9R0.37 CCN(CC)C(=O)CNC 2230a_106832991635_100000211521 [0,2,0,0,0,0|1,0,1]=4 1513 B9R0.37 CCN(CC)C(=O)CNC 34a_100102657272_100000211521 [0,2,0,0,0,0|1,0,1]=4 1514 B9R0.37 CCN(CC)C(=O)CNC 7a_106832991635_100000211521 [0,2,0,0,0,0|1,0,1]=4 1515 B9R0.37 CCN(CC)C(=O)CN[13CH3] 2230a_100000174916_200025704644 [0,2,0,0,0,0|1,0,1]=4 1516 B9R0.37 CCN(CC)C(=O)COC 11a_100000724800_100000210968 [0,2,0,0,0,0|0,0,1]=3 1517 B9R0.37 CCN(CC)C(=O)COC 1626a_100000724800_100000210968 [0,2,0,0,0,0|0,0,1]=3 1518 B9R0.37 CCN(CC)C(=O)COC 240690a_100000724800_100000210968 [0,2,0,0,0,0|0,0,1]=3 1519 B9R0.37 CCN(CC)C(=O)COC 34a_100138415774_100000211521 [0,2,0,0,0,0|0,0,1]=3 1520 B9R0.37 CCN(CC)C(=O)COC 527a_100000724800_100000210968 [0,2,0,0,0,0|0,0,1]=3 1521 B9R0.37 CCN(CC)C(=O)COC 7a_200000238847_200000210301 [0,2,0,0,0,0|0,0,1]=3 1522 B9R0.37 CCN(CC)C(=O)CO[13CH3] 7a_200000238847_200025704644 [0,2,0,0,0,0|0,0,1]=3 1523 B9R0.37 CCN(CC)C(=O)CSC 11a_100000724800_100000184570 [0,2,0,0,0,0|0,1,1]=4 1524 B9R0.37 CCN(CC)C(=O)CSC 1626a_100000724800_100000184570 [0,2,0,0,0,0|0,1,1]=4 1525 B9R0.37 CCN(CC)C(=O)CSC 240690a_100000724800_100000184570 [0,2,0,0,0,0|0,1,1]=4 1526 B9R0.37 CCN(CC)C(=O)CSC 527a_100000724800_100000184570 [0,2,0,0,0,0|0,1,1]=4 1527 B9R0.37 CCN(CC)C(=O)CSC 62a_100000211521_200000210301 [0,2,0,0,0,0|0,1,1]=4 1528 B9R0.37 CCN(CC)C(=O)CSC 62a_200000210301_100000211521 [0,2,0,0,0,0|0,1,1]=4 1529 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_100000211521_200025704644 [0,2,0,0,0,0|0,1,1]=4 1530 B9R0.37 CCN(CC)C(=O)CS[13CH3] 62a_200025704644_100000211521 [0,2,0,0,0,0|0,1,1]=4 1531 B9R0.37 CCN(CC)C(C)CC#N 2230a_100000724800_100009813641 [0,2,0,0,0,0|1,0,0]=3 1532 B9R0.37 CCN(CC)C(C)CC#N 269956a_100000042499_100009813641 [0,2,0,0,0,0|1,0,0]=3 1533 B9R0.37 CCN(CC)C(C)CC#N 269982a_100000724800_100009813641 [0,2,0,0,0,0|1,0,0]=3 1534 B9R0.37 CCN(CC)C(C)CCO 2230a_100000724800_100009893172 [0,2,0,0,0,0|0,0,0]=2 1535 B9R0.37 CCN(CC)C(C)CCO 2230a_100011935059_100000210202 [0,2,0,0,0,0|0,0,0]=2 1536 B9R0.37 CCN(CC)C(C)CCO 269956a_100000042499_100009893172 [0,2,0,0,0,0|0,0,0]=2 1537 B9R0.37 CCN(CC)C(C)CCO 269982a_100000724800_100009893172 [0,2,0,0,0,0|0,0,0]=2 1538 B9R0.37 CCN(CC)C(C)CCO 269982a_100011935059_100000204670 [0,2,0,0,0,0|0,0,0]=2 1539 B9R0.37 CCN(CC)C(C)COC 2230a_100000724800_100000765312 [0,2,0,0,0,0|0,0,0]=2 1540 B9R0.37 CCN(CC)C(C)COC 269956a_100000042499_100000765312 [0,2,0,0,0,0|0,0,0]=2 1541 B9R0.37 CCN(CC)C(C)COC 269982a_100000724800_100000765312 [0,2,0,0,0,0|0,0,0]=2 1542 B9R0.37 CCN(CC)C(C)COC 270004a_100000724800_100000749346 [0,2,0,0,0,0|0,0,0]=2 1543 B9R0.37 CCN(CC)C(C)CSC 270004a_100000724800_100011216314 [0,2,0,0,0,0|0,1,0]=3 1544 B9R0.37 CCN(CF)C(C)CCO 269982a_100011935059_100015361967 [0,2,0,0,0,0|1,0,0]=3 1545 B9R0.37 CCNC(=O)N(CC)CC 2708a_100015525214_100000724800 [0,2,0,0,0,0|1,0,1]=4 1546 B9R0.37 CCNC(=O)N(CC)CC 273464a_100015525214_100000724800 [0,2,0,0,0,0|1,0,1]=4 1547 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.40 C#CCC(CC)OCCO 34a_200011217983_100000211926 [0,2,0,0,0,0|1,0,1]=4 1550 B9R0.40 C#CCC(CC)OCCO 7a_200011217983_100000211926 [0,2,0,0,0,0|1,0,1]=4 1551 B9R0.40 C#CCCN(CC)CC#C 2230a_100000744766_100000688953 [0,2,0,0,0,0|1,0,1]=4 1552 B9R0.40 C#CCCN(CC)CC#C 269982a_100000744766_100000730999 [0,2,0,0,0,0|1,0,1]=4 1553 B9R0.40 C#CCCN(CC)CCC 2230a_100000226822_100000688953 [0,2,0,0,0,0|1,0,0]=3 1554 B9R0.40 C#CCCN(CC)CCC 269982a_100000226822_100000730999 [0,2,0,0,0,0|1,0,0]=3 1555 B9R0.40 C#CCCN(CC)CCO 2230a_100000210973_100000688953 [0,2,0,0,0,0|0,0,0]=2 1556 B9R0.40 C#CCCN(CC)CCO 269982a_100000210973_100000730999 [0,2,0,0,0,0|0,0,0]=2 1557 B9R0.40 C#CCN(CC)C/C=C/C 269982a_100000744766_100102629194 [0,2,0,0,0,0|1,0,1]=4 1558 B9R0.40 C#CCN(CC)CC#CC 2230a_100000744766_100000748600 [0,2,0,0,0,0|1,0,1]=4 1559 B9R0.40 C#CCN(CC)CC=CC 2230a_100000744766_100000070051 [0,2,0,0,0,0|1,0,1]=4 1560 B9R0.40 C#CCN(CC)CCC#N 2230a_100000226048_100000038162 [0,2,0,0,0,0|1,0,1]=4 1561 B9R0.40 C#CCN(CC)CCC#N 2230a_100000744766_100011215226 [0,2,0,0,0,0|1,0,1]=4 1562 B9R0.40 C#CCN(CC)CCC#N 269982a_100000744766_100011215226 [0,2,0,0,0,0|1,0,1]=4 1563 B9R0.40 C#CCN(CC)CCC=C 2230a_100000744766_100000754431 [0,2,0,0,0,0|1,0,1]=4 1564 B9R0.40 C#CCN(CC)CCC=C 269982a_100000744766_100000754431 [0,2,0,0,0,0|1,0,1]=4 1565 B9R0.40 C#CCN(CC)CCCC 2230a_100000207695_100000038162 [0,2,0,0,0,0|1,0,1]=4 1566 B9R0.40 C#CCN(CC)CCCC 2230a_100000744766_100000210211 [0,2,0,0,0,0|1,0,1]=4 1567 B9R0.40 C#CCN(CC)CCCC 269982a_100000744766_100000210211 [0,2,0,0,0,0|1,0,1]=4 1568 B9R0.40 C#CCN(CC)CCCF 2230a_100000744766_100011934791 [0,2,0,0,0,0|1,0,1]=4 1569 B9R0.40 C#CCN(CC)CCCF 269982a_100000744766_100011934791 [0,2,0,0,0,0|1,0,1]=4 1570 B9R0.40 C#CCN(CC)CCCO 2230a_100000744766_100000230001 [0,2,0,0,0,0|0,0,1]=3 1571 B9R0.40 C#CCN(CC)CCCO 269982a_100000744766_100011215043 [0,2,0,0,0,0|0,0,1]=3 1572 B9R0.40 C#CCN(CC)CCOC 2230a_100000223814_100000210202 [0,2,0,0,0,0|0,0,1]=3 1573 B9R0.40 C#CCN(CC)CCOC 2230a_100000731262_100000038162 [0,2,0,0,0,0|0,0,1]=3 1574 B9R0.40 C#CCN(CC)CCOC 2230a_100000744766_100011201679 [0,2,0,0,0,0|0,0,1]=3 1575 B9R0.40 C#CCN(CC)CCOC 269982a_100000744766_100000233755 [0,2,0,0,0,0|0,0,1]=3 1576 B9R0.40 C#CCN(CC)CCOC 34a_100000223814_100000210202 [0,2,0,0,0,0|0,0,1]=3 1577 B9R0.40 C#CCN(CC)CCSC 2230a_100000744766_100000751147 [0,2,0,0,0,0|0,1,1]=4 1578 B9R0.40 C#CCN(CC)CCSC 269982a_100000744766_100000212216 [0,2,0,0,0,0|0,1,1]=4 1579 B9R0.40 C#CCN(CC)COCC 269982a_100000744766_100000739092 [0,2,0,0,0,0|1,0,1]=4 1580 B9R0.40 C#CCN(CF)CCOC 34a_100000223814_100015361967 [0,2,0,0,0,0|1,0,1]=4 1581 B9R0.40 C/C=C/CN(CC)CCC 269982a_100000226822_100102629194 [0,2,0,0,0,0|1,0,0]=3 1582 B9R0.40 C/C=C/CN(CC)CCO 269982a_100000210973_100102629194 [0,2,0,0,0,0|0,0,0]=2 1583 B9R0.40 C=CCCN(CC)CCC 2230a_100000226822_100000754431 [0,2,0,0,0,0|1,0,0]=3 1584 B9R0.40 C=CCCN(CC)CCC 269982a_100000226822_100000754431 [0,2,0,0,0,0|1,0,0]=3 1585 B9R0.40 C=CCCN(CC)CCO 2230a_100000210973_100000754431 [0,2,0,0,0,0|0,0,0]=2 1586 B9R0.40 C=CCCN(CC)CCO 269982a_100000210973_100000754431 [0,2,0,0,0,0|0,0,0]=2 1587 B9R0.40 C=CCN(CC)CCC#N 2230a_100000226048_100000210623 [0,2,0,0,0,0|1,0,1]=4 1588 B9R0.40 C=CCN(CC)CCCC 2230a_100000207695_100000210623 [0,2,0,0,0,0|1,0,1]=4 1589 B9R0.40 C=CCN(CC)CCCC 269982a_100000207695_100000210623 [0,2,0,0,0,0|1,0,1]=4 1590 B9R0.40 C=CCN(CC)CCOC 2230a_100000731262_100000210623 [0,2,0,0,0,0|0,0,1]=3 1591 B9R0.40 C=CCN(CC)CCOC 269982a_100000731262_100000210623 [0,2,0,0,0,0|0,0,1]=3 1592 B9R0.40 CC#CC(CC)OCCO 34a_200011219922_100000211926 [0,2,0,0,0,0|1,0,1]=4 1593 B9R0.40 CC#CC(CC)OCCO 7a_200011219922_100000211926 [0,2,0,0,0,0|1,0,1]=4 1594 B9R0.40 CC#CCN(CC)CCC 2230a_100000226822_100000748600 [0,2,0,0,0,0|1,0,0]=3 1595 B9R0.40 CC#CCN(CC)CCO 2230a_100000210973_100000748600 [0,2,0,0,0,0|0,0,0]=2 1596 B9R0.40 CC=CCN(CC)CCC 2230a_100000226822_100000070051 [0,2,0,0,0,0|1,0,0]=3 1597 B9R0.40 CC=CCN(CC)CCO 2230a_100000210973_100000070051 [0,2,0,0,0,0|0,0,0]=2 1598 B9R0.40 CCC(COC)NCCF 2230a_100000757820_100011217306 [0,2,0,0,0,0|2,0,0]=4 1599 B9R0.40 CCC(COC)NCCO 2230a_100000757820_100000211926 [0,2,0,0,0,0|1,0,0]=3 1600 B9R0.40 CCC(COC)NCCO 270004a_100000210304_100000757811 [0,2,0,0,0,0|1,0,0]=3 1601 B9R0.40 CCC(COC)NCOC 2230a_100000757820_100000766300 [0,2,0,0,0,0|2,0,0]=4 1602 B9R0.40 CCC(COC)OCCF 7a_200011214946_100011217306 [0,2,0,0,0,0|2,0,0]=4 1603 B9R0.40 CCC(COC)OCCO 7a_200011214946_100000211926 [0,2,0,0,0,0|1,0,0]=3 1604 B9R0.40 CCC/C=C(\CC)/CNC 269862a_106832991636_100020616858 [0,2,0,0,0,0|2,0,0]=4 1605 B9R0.40 CCC/C=C(\CC)/COC 34a_200015372368_200000210301 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.40 CCC/C=C(\CC)/COC 7a_200015372368_200000210301 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 34a_200015372368_200025704644 [0,2,0,0,0,0|2,0,0]=4 1608 B9R0.40 CCC/C=C(\CC)/CO[13CH3] 7a_200015372368_200025704644 [0,2,0,0,0,0|2,0,0]=4 1609 B9R0.40 CCCC(=NNCC)CC 4a_100000756455_100000687865 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.40 CCCC(CC)NCCF 2230a_100000747048_100011217306 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.40 CCCC(CC)NCCO 2230a_100000747048_100000211926 [0,2,0,0,0,0|1,0,0]=3 1612 B9R0.40 CCCC(CC)NCCO 270004a_100000210304_100000687865 [0,2,0,0,0,0|1,0,0]=3 1613 B9R0.40 CCCC(CC)NCOC 2230a_100000747048_100000766300 [0,2,0,0,0,0|2,0,0]=4 1614 B9R0.40 CCCC(CC)NCSC 2230a_100000747048_100011218213 [0,2,0,0,0,0|2,0,0]=4 1615 B9R0.40 CCCC(CC)OCCF 34a_100000687864_100011217306 [0,2,0,0,0,0|2,0,0]=4 1616 B9R0.40 CCCC(CC)OCCF 7a_100000687864_100011217306 [0,2,0,0,0,0|2,0,0]=4 1617 B9R0.40 CCCC(CC)OCCO 34a_100000687864_100000211926 [0,2,0,0,0,0|1,0,0]=3 1618 B9R0.40 CCCC(CC)OCCO 7a_100000687864_100000211926 [0,2,0,0,0,0|1,0,0]=3 1619 B9R0.40 CCCC(CC)OCSC 34a_100000687864_100011218213 [0,2,0,0,0,0|2,0,0]=4 1620 B9R0.40 CCCC(CC)SCCF 62a_100011217306_100011219200 [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.40 CCCC(CC)SCCF 62a_100011219200_100011217306 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.40 CCCC(CC)SCCO 62a_100000211926_100011219200 [0,2,0,0,0,0|1,0,0]=3 1623 B9R0.40 CCCC(CC)SCCO 62a_100011219200_100000211926 [0,2,0,0,0,0|1,0,0]=3 1624 B9R0.40 CCCC(CC)SCOC 62a_100000766300_100011219200 [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.40 CCCC(CC)SCOC 62a_100011219200_100000766300 [0,2,0,0,0,0|2,0,0]=4 1626 B9R0.40 CCCC(CC)SCSC 62a_100011218213_100011219200 [0,2,0,0,0,0|2,0,0]=4 1627 B9R0.40 CCCC(CC)SCSC 62a_100011219200_100011218213 [0,2,0,0,0,0|2,0,0]=4 1628 B9R0.40 CCCC(CCOC)SC 34a_100000032865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.40 CCCC(CCOC)SC 7a_100000032865_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B9R0.40 CCCC(CCO[13CH3])SC 34a_100000032865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1631 B9R0.40 CCCC(CCO[13CH3])SC 7a_100000032865_200025704644 [0,2,0,0,0,0|2,0,0]=4 1632 B9R0.40 CCCCC(CC)CNC 2230a_100000209976_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B9R0.40 CCCCC(CC)CNC 2230a_106832991635_100000211942 [0,2,0,0,0,0|2,0,0]=4 1634 B9R0.40 CCCCC(CC)CNC 269862a_106832991636_100011219736 [0,2,0,0,0,0|2,0,0]=4 1635 B9R0.40 CCCCC(CC)CNC 270004a_106832991635_100011219736 [0,2,0,0,0,0|2,0,0]=4 1636 B9R0.40 CCCCC(CC)CNC 34a_100102657272_100000211942 [0,2,0,0,0,0|2,0,0]=4 1637 B9R0.40 CCCCC(CC)CNC 7a_106832991635_100000211942 [0,2,0,0,0,0|2,0,0]=4 1638 B9R0.40 CCCCC(CC)CN[13CH3] 2230a_100000209976_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B9R0.40 CCCCC(CC)COC 34a_100000210273_200000210301 [0,2,0,0,0,0|2,0,0]=4 1640 B9R0.40 CCCCC(CC)COC 34a_100138415774_100000211942 [0,2,0,0,0,0|2,0,0]=4 1641 B9R0.40 CCCCC(CC)COC 7a_100000210273_200000210301 [0,2,0,0,0,0|2,0,0]=4 1642 B9R0.40 CCCCC(CC)CO[13CH3] 34a_100000210273_200025704644 [0,2,0,0,0,0|2,0,0]=4 1643 B9R0.40 CCCCC(CC)CO[13CH3] 7a_100000210273_200025704644 [0,2,0,0,0,0|2,0,0]=4 1644 B9R0.40 CCCCC(CC)CSC 62a_100000211942_200000210301 [0,2,0,0,0,0|2,0,0]=4 1645 B9R0.40 CCCCC(CC)CSC 62a_200000210301_100000211942 [0,2,0,0,0,0|2,0,0]=4 1646 B9R0.40 CCCCC(CC)CS[13CH3] 62a_100000211942_200025704644 [0,2,0,0,0,0|2,0,0]=4 1647 B9R0.40 CCCCC(CC)CS[13CH3] 62a_200025704644_100000211942 [0,2,0,0,0,0|2,0,0]=4 1648 B9R0.40 CCCCC(CC)NCC 270004a_100015525214_100000753412 [0,2,0,0,0,0|2,0,0]=4 1649 B9R0.40 CCCCC(CC)OCC 34a_100011215227_100000210202 [0,2,0,0,0,0|2,0,0]=4 1650 B9R0.40 CCCCC(CC)OCC 34a_100121572206_200011216223 [0,2,0,0,0,0|2,0,0]=4 1651 B9R0.40 CCCCC(CC)OCC 7a_100011215227_100000210202 [0,2,0,0,0,0|2,0,0]=4 1652 B9R0.40 CCCCC(CC)SCC 62a_100000210202_200011216223 [0,2,0,0,0,0|2,0,0]=4 1653 B9R0.40 CCCCC(CC)SCC 62a_200011216223_100000210202 [0,2,0,0,0,0|2,0,0]=4 1654 B9R0.40 CCCCN(CC)CC#N 2230a_100000207695_100011215382 [0,2,0,0,0,0|1,0,1]=4 1655 B9R0.40 CCCCN(CC)CC#N 2230a_200011192266_100000210202 [0,2,0,0,0,0|1,0,1]=4 1656 B9R0.40 CCCCN(CC)CC#N 269982a_100000207695_100011214920 [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.40 CCCCN(CC)CC=O 2230a_100000207695_200015260668 [0,2,0,0,0,0|0,0,2]=4 1658 B9R0.40 CCCCN(CC)CC=O 269982a_100000207695_200015260668 [0,2,0,0,0,0|0,0,2]=4 1659 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [0,2,0,0,0,0|1,0,0]=3 1660 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [0,2,0,0,0,0|1,0,0]=3 1661 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [0,2,0,0,0,0|1,0,0]=3 1662 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [0,2,0,0,0,0|1,0,0]=3 1663 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [0,2,0,0,0,0|1,0,0]=3 1664 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [0,2,0,0,0,0|1,0,0]=3 1665 B9R0.40 CCCCN(CC)CCF 2230a_100000207695_100011217306 [0,2,0,0,0,0|1,0,0]=3 1666 B9R0.40 CCCCN(CC)CCF 269982a_100000207695_100011217306 [0,2,0,0,0,0|1,0,0]=3 1667 B9R0.40 CCCCN(CC)CCO 2230a_100000198060_100000210202 [0,2,0,0,0,0|0,0,0]=2 1668 B9R0.40 CCCCN(CC)CCO 2230a_100000207695_100000211926 [0,2,0,0,0,0|0,0,0]=2 1669 B9R0.40 CCCCN(CC)CCO 2230a_100000210973_100000210211 [0,2,0,0,0,0|0,0,0]=2 1670 B9R0.40 CCCCN(CC)CCO 269982a_100000198060_100000204670 [0,2,0,0,0,0|0,0,0]=2 1671 B9R0.40 CCCCN(CC)CCO 269982a_100000207695_100000211926 [0,2,0,0,0,0|0,0,0]=2 1672 B9R0.40 CCCCN(CC)CCO 269982a_100000210973_100000210211 [0,2,0,0,0,0|0,0,0]=2 1673 B9R0.40 CCCCN(CC)COC 2230a_100000207695_100000766300 [0,2,0,0,0,0|1,0,0]=3 1674 B9R0.40 CCCCN(CC)COC 269982a_100000207695_100000766300 [0,2,0,0,0,0|1,0,0]=3 1675 B9R0.40 CCCCN(CC)CSC 2230a_100000207695_100011218213 [0,2,0,0,0,0|1,0,0]=3 1676 B9R0.40 CCCCN(CC)CSC 269982a_100000207695_100011218213 [0,2,0,0,0,0|1,0,0]=3 1677 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [0,2,0,0,0,0|2,0,0]=4 1678 B9R0.40 CCCCN(CF)CCO 269982a_100000198060_100015361967 [0,2,0,0,0,0|1,0,0]=3 1679 B9R0.40 CCCN(CC)CCC#N 2230a_100000176855_100000210202 [0,2,0,0,0,0|1,0,0]=3 1680 B9R0.40 CCCN(CC)CCC#N 2230a_100000226048_100000210303 [0,2,0,0,0,0|1,0,0]=3 1681 B9R0.40 CCCN(CC)CCC#N 2230a_100000226822_100011215226 [0,2,0,0,0,0|1,0,0]=3 1682 B9R0.40 CCCN(CC)CCC#N 269982a_100000226822_100011215226 [0,2,0,0,0,0|1,0,0]=3 1683 B9R0.40 CCCN(CC)CCCF 2230a_100000226822_100011934791 [0,2,0,0,0,0|1,0,0]=3 1684 B9R0.40 CCCN(CC)CCCF 269982a_100000226822_100011934791 [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.40 CCCN(CC)CCCO 2230a_100000226822_100000230001 [0,2,0,0,0,0|0,0,0]=2 1686 B9R0.40 CCCN(CC)CCCO 269982a_100000226822_100011215043 [0,2,0,0,0,0|0,0,0]=2 1687 B9R0.40 CCCN(CC)CCOC 2230a_100000226822_100011201679 [0,2,0,0,0,0|0,0,0]=2 1688 B9R0.40 CCCN(CC)CCOC 2230a_100000731262_100000210303 [0,2,0,0,0,0|0,0,0]=2 1689 B9R0.40 CCCN(CC)CCOC 2230a_200011192371_100000210202 [0,2,0,0,0,0|0,0,0]=2 1690 B9R0.40 CCCN(CC)CCOC 269982a_100000226822_100000233755 [0,2,0,0,0,0|0,0,0]=2 1691 B9R0.40 CCCN(CC)CCOC 269982a_100000731262_100000210303 [0,2,0,0,0,0|0,0,0]=2 1692 B9R0.40 CCCN(CC)CCOC 269982a_200011192371_100000204670 [0,2,0,0,0,0|0,0,0]=2 1693 B9R0.40 CCCN(CC)CCSC 2230a_100000226822_100000751147 [0,2,0,0,0,0|0,1,0]=3 1694 B9R0.40 CCCN(CC)CCSC 269982a_100000226822_100000212216 [0,2,0,0,0,0|0,1,0]=3 1695 B9R0.40 CCCN(CC)COCC 269982a_100000226822_100000739092 [0,2,0,0,0,0|1,0,0]=3 1696 B9R0.40 CCCN(CC)CSC#N 269982a_100000226822_100000211825 [0,2,0,0,0,0|1,0,1]=4 1697 B9R0.40 CCCN(CF)CCOC 269982a_200011192371_100015361967 [0,2,0,0,0,0|1,0,0]=3 1698 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.40 CCCNC(CC)COC 2230a_100000757820_100000210303 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.40 CCCNC(CC)COC 270004a_100020643023_100000757811 [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [0,2,0,0,0,0|2,0,0]=4 1704 B9R0.40 CCCOC(CC)COC 7a_200011214946_100000210303 [0,2,0,0,0,0|2,0,0]=4 1705 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.40 CCN(CC#N)CCC#N 2230a_100000226048_100011215382 [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.40 CCN(CC#N)CCOC 2230a_100000731262_100011215382 [0,2,0,0,0,0|0,0,1]=3 1711 B9R0.40 CCN(CC#N)CCOC 2230a_100011199603_100000210202 [0,2,0,0,0,0|0,0,1]=3 1712 B9R0.40 CCN(CC#N)CCOC 269982a_100000731262_100011214920 [0,2,0,0,0,0|0,0,1]=3 1713 B9R0.40 CCN(CC=O)CCC#N 2230a_100000226048_200015260668 [0,2,0,0,0,0|0,0,2]=4 1714 B9R0.40 CCN(CC=O)CCOC 2230a_100000731262_200015260668 [0,2,0,0,0,0|0,0,1]=3 1715 B9R0.40 CCN(CC=O)CCOC 269982a_100000731262_200015260668 [0,2,0,0,0,0|0,0,1]=3 1716 B9R0.40 CCN(CCC#N)COC 2230a_100000226048_100000766300 [0,2,0,0,0,0|1,0,0]=3 1717 B9R0.40 CCN(CCC#N)CSC 2230a_100000226048_100011218213 [0,2,0,0,0,0|1,0,0]=3 1718 B9R0.40 CCN(CCF)CCC#N 2230a_100000226048_100011217306 [0,2,0,0,0,0|1,0,0]=3 1719 B9R0.40 CCN(CCF)CCOC 2230a_100000731262_100011217306 [0,2,0,0,0,0|0,0,0]=2 1720 B9R0.40 CCN(CCF)CCOC 269982a_100000731262_100011217306 [0,2,0,0,0,0|0,0,0]=2 1721 B9R0.40 CCN(CCO)CCC#N 2230a_100000210973_100011215226 [0,2,0,0,0,0|0,0,0]=2 1722 B9R0.40 CCN(CCO)CCC#N 2230a_100000226048_100000211926 [0,2,0,0,0,0|0,0,0]=2 1723 B9R0.40 CCN(CCO)CCC#N 269982a_100000210973_100011215226 [0,2,0,0,0,0|0,0,0]=2 1724 B9R0.40 CCN(CCO)CCCF 2230a_100000210973_100011934791 [0,2,0,0,0,0|0,0,0]=2 1725 B9R0.40 CCN(CCO)CCCF 269982a_100000210973_100011934791 [0,2,0,0,0,0|0,0,0]=2 1726 B9R0.40 CCN(CCO)CCCO 2230a_100000210973_100000230001 [0,2,0,0,0,0|0,0,0]=2 1727 B9R0.40 CCN(CCO)CCCO 2230a_200000212863_100000210202 [0,2,0,0,0,0|0,0,0]=2 1728 B9R0.40 CCN(CCO)CCCO 269982a_100000210973_100011215043 [0,2,0,0,0,0|0,0,0]=2 1729 B9R0.40 CCN(CCO)CCCO 269982a_200000212863_100000204670 [0,2,0,0,0,0|0,0,0]=2 1730 B9R0.40 CCN(CCO)CCOC 2230a_100000210973_100011201679 [0,2,0,0,0,0|0,0,0]=2 1731 B9R0.40 CCN(CCO)CCOC 2230a_100000731262_100000211926 [0,2,0,0,0,0|0,0,0]=2 1732 B9R0.40 CCN(CCO)CCOC 269982a_100000210973_100000233755 [0,2,0,0,0,0|0,0,0]=2 1733 B9R0.40 CCN(CCO)CCOC 269982a_100000731262_100000211926 [0,2,0,0,0,0|0,0,0]=2 1734 B9R0.40 CCN(CCO)CCSC 2230a_100000210973_100000751147 [0,2,0,0,0,0|0,0,0]=2 1735 B9R0.40 CCN(CCO)CCSC 269982a_100000210973_100000212216 [0,2,0,0,0,0|0,0,0]=2 1736 B9R0.40 CCN(CCO)CSC#N 269982a_100000210973_100000211825 [0,2,0,0,0,0|0,0,1]=3 1737 B9R0.40 CCN(CCOC)COC 2230a_100000731262_100000766300 [0,2,0,0,0,0|0,0,0]=2 1738 B9R0.40 CCN(CCOC)COC 269982a_100000731262_100000766300 [0,2,0,0,0,0|0,0,0]=2 1739 B9R0.40 CCN(CCOC)CSC 2230a_100000731262_100011218213 [0,2,0,0,0,0|0,0,0]=2 1740 B9R0.40 CCN(CCOC)CSC 269982a_100000731262_100011218213 [0,2,0,0,0,0|0,0,0]=2 1741 B9R0.40 CCNCC(CC)OCC 2230a_100015183923_100000210202 [0,2,0,0,0,0|2,0,0]=4 1742 B9R0.40 CCNCC(CC)OCC 34a_100015183923_100000210202 [0,2,0,0,0,0|2,0,0]=4 1743 B9R0.40 CCOC(CC)CNCF 34a_100015183923_100015361967 [0,2,0,0,0,0|2,0,0]=4 1744 B9R0.40 CCOCN(CC)CCO 269982a_100000210973_100000739092 [0,2,0,0,0,0|0,0,0]=2 1745 B9R0.40 CC[C@H](CC#N)NCCO 2230a_200009818565_100000211926 [0,2,0,0,0,0|1,0,1]=4 1746 B9R0.40 COCC(CCl)OCCO 34a_100011215053_100000211926 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.40 COCC(CN)OCCO 34a_100000756049_100000211926 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.40 COCC(CO)NCCO 2230a_100000724102_100000211926 [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.40 COCC(CO)NCCO 34a_100000724102_100000211926 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.40 OCCCN(CF)CCO 269982a_200000212863_100015361967 [0,2,0,0,0,0|1,0,0]=3 1751 B9R0.43 C=C(C)CCN(CC)CC 2230a_100000724800_100000730704 [0,2,0,0,0,0|1,0,0]=3 1752 B9R0.43 C=C(C)CCN(CC)CC 269956a_100000042499_100000730704 [0,2,0,0,0,0|1,0,0]=3 1753 B9R0.43 C=C(C)CCN(CC)CC 269982a_100000724800_100000730704 [0,2,0,0,0,0|1,0,0]=3 1754 B9R0.43 CCC(CC)CNC(C)C 2230a_100102946423_100000210206 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.43 CCC(CC)CNC(C)C 2230a_100138425928_100011215472 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.43 CCC(CC)CNC(C)C 34a_100138425928_100011215472 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.43 CCC(CC)COC(C)C 34a_100000212225_100011215472 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.43 CCC(CC)COC(C)C 7a_100000703878_100000210206 [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.43 CCC(CC)CSC(C)C 62a_100000210206_100011215472 [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.43 CCC(CC)CSC(C)C 62a_100011215472_100000210206 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [0,2,0,0,0,0|1,0,1]=4 1762 B9R0.43 CCC(CC)NCC(C)C 2230a_100000199018_100000210760 [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.43 CCC(CC)NCC(C)C 270004a_100000199018_100000210432 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.43 CCC(CC)NCC(C)C 270004a_100000210953_100000210860 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.43 CCC(CC)NCC(C)O 2230a_100000199018_100011218427 [0,2,0,0,0,0|1,0,0]=3 1766 B9R0.43 CCC(CC)NCC(C)O 270004a_100000210904_100000210860 [0,2,0,0,0,0|1,0,0]=3 1767 B9R0.43 CCC(CC)NCC(F)F 2230a_100000199018_100011934356 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.43 CCC(CC)NCC(F)F 270004a_100000765723_100000210860 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.43 CCC(CC)NC[C@@H](C)O 2230a_100000199018_100009817552 [0,2,0,0,0,0|1,0,0]=3 1770 B9R0.43 CCC(CC)OCC(C)C 7a_100000688536_100000210760 [0,2,0,0,0,0|2,0,0]=4 1771 B9R0.43 CCC(CC)OCC(C)O 7a_100000688536_100011218427 [0,2,0,0,0,0|1,0,0]=3 1772 B9R0.43 CCC(CC)OCC(F)F 7a_100000688536_100011934356 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.43 CCC(CC)OC[C@@H](C)O 7a_100000688536_100009817552 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.43 CCC(CC)SCC(C)C 62a_100000210505_100000210760 [0,2,0,0,0,0|2,0,0]=4 1775 B9R0.43 CCC(CC)SCC(C)C 62a_100000210624_100000210505 [0,2,0,0,0,0|2,0,0]=4 1776 B9R0.43 CCC(CC)SCC(C)O 62a_100000210505_100011218427 [0,2,0,0,0,0|1,0,0]=3 1777 B9R0.43 CCC(CC)SCC(C)O 62a_100011218427_100000210505 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.43 CCC(CC)SCC(F)F 62a_100000210505_100011934356 [0,2,0,0,0,0|2,0,0]=4 1779 B9R0.43 CCC(CC)SCC(F)F 62a_100011934356_100000210505 [0,2,0,0,0,0|2,0,0]=4 1780 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100000210505_100009817552 [0,2,0,0,0,0|1,0,0]=3 1781 B9R0.43 CCC(CC)SC[C@@H](C)O 62a_100009817552_100000210505 [0,2,0,0,0,0|1,0,0]=3 1782 B9R0.43 CCN(CC)CC=C(C)C 2230a_100000724800_100000761012 [0,2,0,0,0,0|1,0,1]=4 1783 B9R0.43 CCN(CC)CC=C(C)C 269956a_100000042499_100000761012 [0,2,0,0,0,0|1,0,1]=4 1784 B9R0.43 CCN(CC)CC=C(C)C 269982a_100000724800_100000761012 [0,2,0,0,0,0|1,0,1]=4 1785 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000070787_100000700428 [0,2,0,0,0,0|0,0,1]=3 1786 B9R0.43 CCN(CC)CCC(=O)C 1458a_100000750416_200000210301 [0,2,0,0,0,0|0,0,1]=3 1787 B9R0.43 CCN(CC)CCC(=O)C 269956a_100000042499_100000053229 [0,2,0,0,0,0|0,0,1]=3 1788 B9R0.43 CCN(CC)CCC(=O)C 269982a_100000724800_100000053229 [0,2,0,0,0,0|0,0,1]=3 1789 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [0,2,0,0,0,0|0,0,1]=3 1790 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [0,2,0,0,0,0|0,0,1]=3 1791 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [0,2,0,0,0,0|0,0,1]=3 1792 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [0,2,0,0,0,0|0,0,1]=3 1793 B9R0.43 CCN(CC)CCC(=O)[13CH3] 1458a_100000750416_200025704644 [0,2,0,0,0,0|0,0,1]=3 1794 B9R0.43 CCN(CC)CCC(C)C 2230a_100000207693_100000210202 [0,2,0,0,0,0|1,0,0]=3 1795 B9R0.43 CCN(CC)CCC(C)C 2230a_100000724800_100000210312 [0,2,0,0,0,0|1,0,0]=3 1796 B9R0.43 CCN(CC)CCC(C)C 269956a_100000042499_100000210312 [0,2,0,0,0,0|1,0,0]=3 1797 B9R0.43 CCN(CC)CCC(C)C 269982a_100000207693_100000204670 [0,2,0,0,0,0|1,0,0]=3 1798 B9R0.43 CCN(CC)CCC(C)C 269982a_100000724800_100000210312 [0,2,0,0,0,0|1,0,0]=3 1799 B9R0.43 CCN(CC)CCC(C)O 2230a_100000724800_100012276601 [0,2,0,0,0,0|0,0,0]=2 1800 B9R0.43 CCN(CC)CCC(C)O 269956a_100000042499_100012276601 [0,2,0,0,0,0|0,0,0]=2 1801 B9R0.43 CCN(CC)CCC(C)O 269982a_100000724800_100012276601 [0,2,0,0,0,0|0,0,0]=2 1802 B9R0.43 CCN(CC)CCN(C)C 2230a_100102631434_100000700428 [0,2,0,0,0,0|1,0,0]=3 1803 B9R0.43 CCN(CC)CCN(C)C 2230a_106354213003_200000210301 [0,2,0,0,0,0|1,0,0]=3 1804 B9R0.43 CCN(CC)CCN(C)C 269956a_100000042499_100000755713 [0,2,0,0,0,0|1,0,0]=3 1805 B9R0.43 CCN(CC)CCN(C)C 269982a_100000225870_100000204670 [0,2,0,0,0,0|1,0,0]=3 1806 B9R0.43 CCN(CC)CCN(C)C 269982a_100000724800_100000755713 [0,2,0,0,0,0|1,0,0]=3 1807 B9R0.43 CCN(CC)CCN(C)C 269982a_100102631434_100000700428 [0,2,0,0,0,0|1,0,0]=3 1808 B9R0.43 CCN(CC)CCN(C)C 269982a_106354213003_200000210301 [0,2,0,0,0,0|1,0,0]=3 1809 B9R0.43 CCN(CC)CCN(C)[13CH3] 2230a_106354213003_200025704644 [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.43 CCN(CC)CCN(C)[13CH3] 269982a_106354213003_200025704644 [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [0,2,0,0,0,0|0,0,2]=4 1812 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [0,2,0,0,0,0|0,0,2]=4 1813 B9R0.43 CCN(CC)COC(C)C 2230a_100000724800_100000709892 [0,2,0,0,0,0|1,0,0]=3 1814 B9R0.43 CCN(CC)COC(C)C 269956a_100000042499_100000709892 [0,2,0,0,0,0|1,0,0]=3 1815 B9R0.43 CCN(CC)COC(C)C 269982a_100000724800_100000709892 [0,2,0,0,0,0|1,0,0]=3 1816 B9R0.43 CCN(CC)COC(C)C 7a_200015374951_100000210206 [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.43 CCN(CF)CCC(C)C 269982a_100000207693_100015361967 [0,2,0,0,0,0|2,0,0]=4 1818 B9R0.43 CCN(CF)CCN(C)C 269982a_100000225870_100015361967 [0,2,0,0,0,0|2,0,0]=4 1819 B9R0.43 CC[C@@H](CO)NCC(C)O 2230a_100000709445_100011218427 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.43 CC[C@@H](CO)NC[C@@H](C)O 2230a_100000709445_100009817552 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.50 C#CCCCN(CC)CC 2230a_100000724800_100000731252 [0,2,0,0,0,0|1,0,0]=3 1822 B9R0.50 C#CCCCN(CC)CC 269956a_100000042499_100011215417 [0,2,0,0,0,0|1,0,0]=3 1823 B9R0.50 C#CCCCN(CC)CC 269982a_100000724800_100011215417 [0,2,0,0,0,0|1,0,0]=3 1824 B9R0.50 C#CCCNC(CC)CC 2230a_100000199018_100000688953 [0,2,0,0,0,0|2,0,0]=4 1825 B9R0.50 C#CCCOC(CC)CC 7a_100000688536_100000688953 [0,2,0,0,0,0|2,0,0]=4 1826 B9R0.50 C#CCCSC(CC)CC 62a_100000210505_100000688953 [0,2,0,0,0,0|2,0,0]=4 1827 B9R0.50 C#CCCSC(CC)CC 62a_100000688953_100000210505 [0,2,0,0,0,0|2,0,0]=4 1828 B9R0.50 C#CCNCC(CC)CC 2230a_100102946423_100000038162 [0,2,0,0,0,0|2,0,0]=4 1829 B9R0.50 C#CCNCC(CC)CC 34a_100000212058_100011215472 [0,2,0,0,0,0|2,0,0]=4 1830 B9R0.50 C#CCOCC(CC)CC 34a_100000210247_100011215472 [0,2,0,0,0,0|2,0,0]=4 1831 B9R0.50 C#CCOCC(CC)CC 7a_100000703878_100000038162 [0,2,0,0,0,0|2,0,0]=4 1832 B9R0.50 C#CCOCN(CC)CC 7a_200015374951_100000038162 [0,2,0,0,0,0|1,0,0]=3 1833 B9R0.50 C#CCSCC(CC)CC 62a_100000038162_100011215472 [0,2,0,0,0,0|2,0,0]=4 1834 B9R0.50 C=CCCCN(CC)CC 2230a_100000724800_100011713584 [0,2,0,0,0,0|1,0,0]=3 1835 B9R0.50 C=CCCCN(CC)CC 269956a_100000042499_100011713584 [0,2,0,0,0,0|1,0,0]=3 1836 B9R0.50 C=CCCCN(CC)CC 269982a_100000724800_100000757094 [0,2,0,0,0,0|1,0,0]=3 1837 B9R0.50 C=CCCNC(CC)CC 2230a_100000199018_100000754431 [0,2,0,0,0,0|2,0,0]=4 1838 B9R0.50 C=CCCNC(CC)CC 270004a_100015191253_100000210860 [0,2,0,0,0,0|2,0,0]=4 1839 B9R0.50 C=CCCOC(CC)CC 7a_100000688536_100000754431 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.50 C=CCCSC(CC)CC 62a_100000210505_100000754431 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.50 C=CCCSC(CC)CC 62a_100000754431_100000210505 [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.50 C=CCNCC(CC)CC 2230a_100020586998_100011215472 [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.50 C=CCNCC(CC)CC 2230a_100102946423_100000210623 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.50 C=CCNCC(CC)CC 270004a_100020586998_100000211137 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.50 C=CCOCC(CC)CC 34a_200000210373_100011215472 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.50 C=CCOCC(CC)CC 7a_100000703878_100015514636 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.50 C=CCOCN(CC)CC 7a_200015374951_100015514636 [0,2,0,0,0,0|1,0,0]=3 1848 B9R0.50 C=CCSCC(CC)CC 62a_100000210623_100011215472 [0,2,0,0,0,0|2,0,0]=4 1849 B9R0.50 C=CCSCC(CC)CC 62a_100011215472_100000210623 [0,2,0,0,0,0|2,0,0]=4 1850 B9R0.50 C=COCCN(CC)CC 2230a_100000724800_100000039644 [0,2,0,0,0,0|0,0,0]=2 1851 B9R0.50 C=COCCN(CC)CC 269956a_100000042499_100000039644 [0,2,0,0,0,0|0,0,0]=2 1852 B9R0.50 C=COCCN(CC)CC 269982a_100000724800_100000039644 [0,2,0,0,0,0|0,0,0]=2 1853 B9R0.50 CC/C=C\CN(CC)CC 2230a_100000724800_100103147603 [0,2,0,0,0,0|1,0,0]=3 1854 B9R0.50 CC/C=C\CN(CC)CC 269956a_100000042499_100103147603 [0,2,0,0,0,0|1,0,0]=3 1855 B9R0.50 CC/C=C\CN(CC)CC 269982a_100000724800_100103147603 [0,2,0,0,0,0|1,0,0]=3 1856 B9R0.50 CCC#CCN(CC)CC 2230a_100000724800_100009813939 [0,2,0,0,0,0|1,0,0]=3 1857 B9R0.50 CCC#CCN(CC)CC 269956a_100000042499_100009813939 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.50 CCC(=NNCCO)CC 4a_100000210001_100000210860 [0,2,0,0,0,0|1,0,0]=3 1859 B9R0.50 CCC(=NNCCO)CO 4a_100000210001_100000725409 [0,2,0,0,0,0|2,0,0]=4 1860 B9R0.50 CCC(CC)CNCC#N 2230a_100102946423_100011215382 [0,2,0,0,0,0|2,0,0]=4 1861 B9R0.50 CCC(CC)CNCC=O 2230a_100102946423_200015260668 [0,2,0,0,0,0|1,0,1]=4 1862 B9R0.50 CCC(CC)CNCCF 2230a_100102946423_100011217306 [0,2,0,0,0,0|2,0,0]=4 1863 B9R0.50 CCC(CC)CNCCF 269862a_100000724931_100000211137 [0,2,0,0,0,0|2,0,0]=4 1864 B9R0.50 CCC(CC)CNCCF 34a_100000724931_100011215472 [0,2,0,0,0,0|2,0,0]=4 1865 B9R0.50 CCC(CC)CNCCO 2230a_100016997473_100011215472 [0,2,0,0,0,0|1,0,0]=3 1866 B9R0.50 CCC(CC)CNCCO 2230a_100102946423_100000211926 [0,2,0,0,0,0|1,0,0]=3 1867 B9R0.50 CCC(CC)CNCCO 269862a_100000210304_100000211137 [0,2,0,0,0,0|1,0,0]=3 1868 B9R0.50 CCC(CC)CNCCO 270004a_100000210304_100000211137 [0,2,0,0,0,0|1,0,0]=3 1869 B9R0.50 CCC(CC)CNCCO 34a_100016990907_100011215472 [0,2,0,0,0,0|1,0,0]=3 1870 B9R0.50 CCC(CC)CNCOC 2230a_100102946423_100000766300 [0,2,0,0,0,0|1,0,0]=3 1871 B9R0.50 CCC(CC)CNCSC 2230a_100102946423_100011218213 [0,2,0,0,0,0|1,1,0]=4 1872 B9R0.50 CCC(CC)COCC#N 7a_100000703878_100011215382 [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.50 CCC(CC)COCC=O 7a_100000703878_200015260668 [0,2,0,0,0,0|1,0,1]=4 1874 B9R0.50 CCC(CC)COCCBr 34a_100000211926_100011215472 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.50 CCC(CC)COCCF 7a_100000703878_100011217306 [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.50 CCC(CC)COCCN 34a_100000210304_100011215472 [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.50 CCC(CC)COCCO 7a_100000703878_100000211926 [0,2,0,0,0,0|1,0,0]=3 1878 B9R0.50 CCC(CC)CSCC#N 62a_100011215382_100011215472 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.50 CCC(CC)CSCC#N 62a_100011215472_100011215382 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.50 CCC(CC)CSCC=O 62a_100011215472_200015260668 [0,2,0,0,0,0|1,0,1]=4 1881 B9R0.50 CCC(CC)CSCC=O 62a_200015260668_100011215472 [0,2,0,0,0,0|1,0,1]=4 1882 B9R0.50 CCC(CC)CSCCF 62a_100011215472_100011217306 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.50 CCC(CC)CSCCF 62a_100011217306_100011215472 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.50 CCC(CC)CSCCO 62a_100000211926_100011215472 [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.50 CCC(CC)CSCCO 62a_100011215472_100000211926 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.50 CCC(CC)CSCOC 62a_100000766300_100011215472 [0,2,0,0,0,0|1,0,0]=3 1887 B9R0.50 CCC(CC)CSCOC 62a_100011215472_100000766300 [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.50 CCC(CC)CSCSC 62a_100011215472_100011218213 [0,2,0,0,0,0|1,1,0]=4 1889 B9R0.50 CCC(CC)CSCSC 62a_100011218213_100011215472 [0,2,0,0,0,0|1,1,0]=4 1890 B9R0.50 CCC(CC)NCCC#N 2230a_100000199018_100011215226 [0,2,0,0,0,0|2,0,0]=4 1891 B9R0.50 CCC(CC)NCCC#N 270004a_100000720768_100000210860 [0,2,0,0,0,0|2,0,0]=4 1892 B9R0.50 CCC(CC)NCCCF 2230a_100000199018_100011934791 [0,2,0,0,0,0|2,0,0]=4 1893 B9R0.50 CCC(CC)NCCCF 270004a_100015189416_100000210860 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.50 CCC(CC)NCCCO 2230a_100000199018_100000230001 [0,2,0,0,0,0|1,0,0]=3 1895 B9R0.50 CCC(CC)NCCCO 270004a_100000182051_100000210860 [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.50 CCC(CC)NCCOC 2230a_100000199018_100011201679 [0,2,0,0,0,0|1,0,0]=3 1897 B9R0.50 CCC(CC)NCCOC 270004a_100000209980_100000210860 [0,2,0,0,0,0|1,0,0]=3 1898 B9R0.50 CCC(CC)NCCSC 2230a_100000199018_100000751147 [0,2,0,0,0,0|1,1,0]=4 1899 B9R0.50 CCC(CC)NCCSC 270004a_100020590264_100000210860 [0,2,0,0,0,0|1,1,0]=4 1900 B9R0.50 CCC(CC)OCCC#N 7a_100000688536_100000184422 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.50 CCC(CC)OCCCF 7a_100000688536_100011934791 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.50 CCC(CC)OCCCO 7a_100000688536_100011215043 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.50 CCC(CC)OCCOC 7a_100000688536_100000233755 [0,2,0,0,0,0|1,0,0]=3 1904 B9R0.50 CCC(CC)OCCSC 7a_100000230434_100000210505 [0,2,0,0,0,0|1,1,0]=4 1905 B9R0.50 CCC(CC)OCCSC 7a_100000688536_100000212216 [0,2,0,0,0,0|1,1,0]=4 1906 B9R0.50 CCC(CC)SCCC#N 62a_100000210505_100011215226 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.50 CCC(CC)SCCC#N 62a_100011215226_100000210505 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.50 CCC(CC)SCCCF 62a_100000210505_100011934791 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.50 CCC(CC)SCCCF 62a_100011934791_100000210505 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.50 CCC(CC)SCCCO 62a_100000210505_100011215043 [0,2,0,0,0,0|1,0,0]=3 1911 B9R0.50 CCC(CC)SCCCO 62a_100011215043_100000210505 [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.50 CCC(CC)SCCOC 62a_100000210505_100000233755 [0,2,0,0,0,0|1,0,0]=3 1913 B9R0.50 CCC(CC)SCCOC 62a_100000233755_100000210505 [0,2,0,0,0,0|1,0,0]=3 1914 B9R0.50 CCC(CC)SCCSC 62a_100000210505_100000751147 [0,2,0,0,0,0|1,1,0]=4 1915 B9R0.50 CCC(CC)SCCSC 62a_100000212216_100000210505 [0,2,0,0,0,0|1,1,0]=4 1916 B9R0.50 CCC(COCCO)OC 34a_100011934954_100000211926 [0,2,0,0,0,0|2,0,0]=4 1917 B9R0.50 CCC(COCCO)OC 7a_100011934954_100000211926 [0,2,0,0,0,0|2,0,0]=4 1918 B9R0.50 CCCCCN(CC)CC 2230a_100000724800_100000210326 [0,2,0,0,0,0|1,0,0]=3 1919 B9R0.50 CCCCCN(CC)CC 269956a_100000042499_100000210326 [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.50 CCCCCN(CC)CC 269982a_100000724800_100000210215 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.50 CCCCNC(CC)CC 2230a_100000199018_100000210211 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.50 CCCCNC(CC)CC 270004a_100000102301_100000210860 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.50 CCCCNC(CC)CC 7a_106832991798_100000210505 [0,2,0,0,0,0|2,0,0]=4 1924 B9R0.50 CCCCOC(CC)CC 7a_100000210227_100000210505 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.50 CCCCOC(CC)CC 7a_100000688536_100000210211 [0,2,0,0,0,0|2,0,0]=4 1926 B9R0.50 CCCCSC(CC)CC 62a_100000210211_100000210505 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.50 CCCCSC(CC)CC 62a_100000210505_100000210210 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.50 CCCNCC(CC)CC 2230a_100102946423_100000210303 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.50 CCCNCC(CC)CC 269862a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.50 CCCNCC(CC)CC 270004a_100020643023_100000211137 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.50 CCCNN=C(CC)CC 4a_100000740057_100000210860 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.50 CCCOCC(CC)CC 34a_100000210258_100011215472 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.50 CCCOCC(CC)CC 7a_100000703878_100000210303 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.50 CCCOCN(CC)CC 7a_200015374951_100000210303 [0,2,0,0,0,0|1,0,0]=3 1935 B9R0.50 CCCSCC(CC)CC 62a_100000210303_100011215472 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.50 CCCSCC(CC)CC 62a_100011215472_100000210303 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.50 CCN(CC)CC#CCO 2230a_100000724800_200000047223 [0,2,0,0,0,0|0,0,0]=2 1938 B9R0.50 CCN(CC)CC#CCO 269956a_100000042499_200000047223 [0,2,0,0,0,0|0,0,0]=2 1939 B9R0.50 CCN(CC)CCCC#N 2230a_100000724800_100000687738 [0,2,0,0,0,0|1,0,0]=3 1940 B9R0.50 CCN(CC)CCCC#N 269956a_100000042499_100000687738 [0,2,0,0,0,0|1,0,0]=3 1941 B9R0.50 CCN(CC)CCCC#N 269982a_100000724800_100000687738 [0,2,0,0,0,0|1,0,0]=3 1942 B9R0.50 CCN(CC)CCCC=O 2230a_100000724800_200011292268 [0,2,0,0,0,0|0,0,1]=3 1943 B9R0.50 CCN(CC)CCCC=O 269956a_100000042499_200011292268 [0,2,0,0,0,0|0,0,1]=3 1944 B9R0.50 CCN(CC)CCCC=O 269982a_100000724800_200011292268 [0,2,0,0,0,0|0,0,1]=3 1945 B9R0.50 CCN(CC)CCCCF 2230a_100000724800_100000729493 [0,2,0,0,0,0|1,0,0]=3 1946 B9R0.50 CCN(CC)CCCCF 269956a_100000042499_100000729493 [0,2,0,0,0,0|1,0,0]=3 1947 B9R0.50 CCN(CC)CCCCF 269982a_100000724800_100000729493 [0,2,0,0,0,0|1,0,0]=3 1948 B9R0.50 CCN(CC)CCCCO 2230a_100000724800_100000210776 [0,2,0,0,0,0|0,0,0]=2 1949 B9R0.50 CCN(CC)CCCCO 2230a_100011217355_100000210202 [0,2,0,0,0,0|0,0,0]=2 1950 B9R0.50 CCN(CC)CCCCO 269956a_100000042499_100000210776 [0,2,0,0,0,0|0,0,0]=2 1951 B9R0.50 CCN(CC)CCCCO 269982a_100000724800_100000210776 [0,2,0,0,0,0|0,0,0]=2 1952 B9R0.50 CCN(CC)CCCCO 269982a_100011217355_100000204670 [0,2,0,0,0,0|0,0,0]=2 1953 B9R0.50 CCN(CC)CCCNC 2230a_106832991635_100000709985 [0,2,0,0,0,0|1,0,0]=3 1954 B9R0.50 CCN(CC)CCCNC 7a_106832991635_100000709985 [0,2,0,0,0,0|1,0,0]=3 1955 B9R0.50 CCN(CC)CCCOC 2230a_100000724800_100000740836 [0,2,0,0,0,0|0,0,0]=2 1956 B9R0.50 CCN(CC)CCCOC 269956a_100000042499_100000740836 [0,2,0,0,0,0|0,0,0]=2 1957 B9R0.50 CCN(CC)CCCOC 269982a_100000724800_100000740836 [0,2,0,0,0,0|0,0,0]=2 1958 B9R0.50 CCN(CC)CCCOC 7a_100000212844_200000210301 [0,2,0,0,0,0|0,0,0]=2 1959 B9R0.50 CCN(CC)CCCO[13CH3] 7a_100000212844_200025704644 [0,2,0,0,0,0|0,0,0]=2 1960 B9R0.50 CCN(CC)CCCSC 62a_200000210301_100000709985 [0,2,0,0,0,0|0,1,0]=3 1961 B9R0.50 CCN(CC)CCCS[13CH3] 62a_200025704644_100000709985 [0,2,0,0,0,0|0,1,0]=3 1962 B9R0.50 CCN(CC)CCOCF 7a_100016990331_100015361967 [0,2,0,0,0,0|0,0,0]=2 1963 B9R0.50 CCN(CC)CCSC#N 269956a_100000042499_100000034367 [0,2,0,0,0,0|0,1,0]=3 1964 B9R0.50 CCN(CC)CCSC#N 269982a_100000724800_100000034367 [0,2,0,0,0,0|0,1,0]=3 1965 B9R0.50 CCN(CC)CCSCF 62a_100015361967_100000700428 [0,2,0,0,0,0|0,1,0]=3 1966 B9R0.50 CCN(CC)COCC#N 7a_200015374951_100011215382 [0,2,0,0,0,0|1,0,0]=3 1967 B9R0.50 CCN(CC)COCC=O 7a_200015374951_200015260668 [0,2,0,0,0,0|0,0,1]=3 1968 B9R0.50 CCN(CC)COCCF 7a_200015374951_100011217306 [0,2,0,0,0,0|1,0,0]=3 1969 B9R0.50 CCN(CC)COCCO 7a_200015374951_100000211926 [0,2,0,0,0,0|0,0,0]=2 1970 B9R0.50 CCN(CF)CCCCO 269982a_100011217355_100015361967 [0,2,0,0,0,0|1,0,0]=3 1971 B9R0.50 CCNCCN(CC)CC 2230a_100015382049_100000210202 [0,2,0,0,0,0|1,0,0]=3 1972 B9R0.50 CCNCCN(CC)CC 2230a_100015525214_100000700428 [0,2,0,0,0,0|1,0,0]=3 1973 B9R0.50 CCOCCN(CC)CC 2230a_100000724800_100011215890 [0,2,0,0,0,0|0,0,0]=2 1974 B9R0.50 CCOCCN(CC)CC 269956a_100000042499_100000210147 [0,2,0,0,0,0|0,0,0]=2 1975 B9R0.50 CCOCCN(CC)CC 269982a_100000724800_100011215890 [0,2,0,0,0,0|0,0,0]=2 1976 B9R0.50 CCOCCN(CC)CC 7a_100016990331_100000210202 [0,2,0,0,0,0|0,0,0]=2 1977 B9R0.50 CCOCSC(CC)CC 62a_100000210505_100000739092 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.50 CCOCSC(CC)CC 62a_100000739092_100000210505 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.50 CCSCCN(CC)CC 2230a_100000724800_100000757381 [0,2,0,0,0,0|0,1,0]=3 1980 B9R0.50 CCSCCN(CC)CC 269956a_100000042499_100000757381 [0,2,0,0,0,0|0,1,0]=3 1981 B9R0.50 CCSCCN(CC)CC 269982a_100000724800_100000757381 [0,2,0,0,0,0|0,1,0]=3 1982 B9R0.50 CCSCCN(CC)CC 62a_100000210202_100000700428 [0,2,0,0,0,0|0,1,0]=3 1983 B9R0.50 CC[C@@H](CO)NCCCO 2230a_100000709445_100000230001 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.50 CC[C@@H](CO)NCCOC 2230a_100000709445_100011201679 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.67 CCC(C)(CC)OCCF 7a_100000755174_100011217306 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.67 CCC(C)(CC)OCCO 7a_100000755174_100000211926 [0,2,0,0,0,0|1,0,0]=3 1987 B9R0.67 CCC(C)(CC)SCCF 62a_100009817345_100011217306 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.67 CCC(C)(CC)SCCF 62a_100011217306_100009817345 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.67 CCC(C)(CC)SCCO 62a_100000211926_100009817345 [0,2,0,0,0,0|1,0,0]=3 1990 B9R0.67 CCC(C)(CC)SCCO 62a_100009817345_100000211926 [0,2,0,0,0,0|1,0,0]=3 1991 B9R0.67 CCC(C)(CC)SCOC 62a_100000766300_100009817345 [0,2,0,0,0,0|2,0,0]=4 1992 B9R0.67 CCC(C)(CC)SCOC 62a_100009817345_100000766300 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.67 CCCOC(C)(CC)CC 7a_100000755174_100000210303 [0,2,0,0,0,0|2,0,0]=4 1994 B9R0.67 CCCSC(C)(CC)CC 62a_100000210303_100009817345 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.67 CCCSC(C)(CC)CC 62a_100009817345_100000210303 [0,2,0,0,0,0|2,0,0]=4 1996 B9R0.9 C#CCN(CC)C(C)(C)C 2230a_100011200764_100000038162 [0,2,0,0,0,0|1,0,1]=4 1997 B9R0.9 C#CCN(CC)C(C)(C)C 269982a_100000744766_100000210625 [0,2,0,0,0,0|1,0,1]=4 1998 B9R0.9 C=CCN(CC)C(C)(C)C 2230a_100011200764_100000210623 [0,2,0,0,0,0|1,0,1]=4 1999 B9R0.9 C=CCN(CC)C(C)(C)C 2230a_100025770937_100000210202 [0,2,0,0,0,0|1,0,1]=4 2000 B9R0.9 C=CCN(CC)C(C)(C)C 269982a_100011200764_100000210623 [0,2,0,0,0,0|1,0,1]=4 2001 B9R0.9 C=CCN(CC)C(C)(C)C 269982a_100025770937_100000204670 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.9 CC(C)(C)N(CF)CCO 269982a_100011215626_100015361967 [0,2,0,0,0,0|1,0,0]=3 2003 B9R0.9 CCCN(CC)C(C)(C)C 2230a_100000743177_100000210202 [0,2,0,0,0,0|1,0,0]=3 2004 B9R0.9 CCCN(CC)C(C)(C)C 2230a_100011200764_100000210303 [0,2,0,0,0,0|1,0,0]=3 2005 B9R0.9 CCCN(CC)C(C)(C)C 269982a_100000226822_100000210625 [0,2,0,0,0,0|1,0,0]=3 2006 B9R0.9 CCCN(CC)C(C)(C)C 269982a_100000743177_100000204670 [0,2,0,0,0,0|1,0,0]=3 2007 B9R0.9 CCCN(CC)C(C)(C)C 269982a_100011200764_100000210303 [0,2,0,0,0,0|1,0,0]=3 2008 B9R0.9 CCCN(CC)C(F)(F)F 269982a_100000226822_200000243211 [0,2,0,0,0,0|2,0,0]=4 2009 B9R0.9 CCCN(CC)S(=O)(=O)C 40a_100000226822_100000738038 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.9 CCCN(CF)C(C)(C)C 269982a_100000743177_100015361967 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.9 CCN(CC#N)C(C)(C)C 2230a_100011200764_100011215382 [0,2,0,0,0,0|1,0,1]=4 2012 B9R0.9 CCN(CC#N)C(C)(C)C 269982a_100011200764_100011214920 [0,2,0,0,0,0|1,0,1]=4 2013 B9R0.9 CCN(CC=O)C(C)(C)C 2230a_100011200764_200015260668 [0,2,0,0,0,0|0,0,2]=4 2014 B9R0.9 CCN(CC=O)C(C)(C)C 269982a_100011200764_200015260668 [0,2,0,0,0,0|0,0,2]=4 2015 B9R0.9 CCN(CCF)C(C)(C)C 2230a_100011200764_100011217306 [0,2,0,0,0,0|1,0,0]=3 2016 B9R0.9 CCN(CCF)C(C)(C)C 269982a_100011200764_100011217306 [0,2,0,0,0,0|1,0,0]=3 2017 B9R0.9 CCN(CCO)C(C)(C)C 2230a_100011200764_100000211926 [0,2,0,0,0,0|0,0,0]=2 2018 B9R0.9 CCN(CCO)C(C)(C)C 2230a_100011215626_100000210202 [0,2,0,0,0,0|0,0,0]=2 2019 B9R0.9 CCN(CCO)C(C)(C)C 269982a_100000210973_100000210625 [0,2,0,0,0,0|0,0,0]=2 2020 B9R0.9 CCN(CCO)C(C)(C)C 269982a_100011200764_100000211926 [0,2,0,0,0,0|0,0,0]=2 2021 B9R0.9 CCN(CCO)C(C)(C)C 269982a_100011215626_100000204670 [0,2,0,0,0,0|0,0,0]=2 2022 B9R0.9 CCN(CCO)C(F)(F)F 269982a_100000210973_200000243211 [0,2,0,0,0,0|1,0,0]=3 2023 B9R0.9 CCN(CCO)S(=O)(=O)C 40a_100000210973_100000738038 [0,2,0,0,0,0|1,0,0]=3 2024 B9R0.9 CCN(COC)C(C)(C)C 2230a_100011200764_100000766300 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.9 CCN(COC)C(C)(C)C 269982a_100011200764_100000766300 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.9 CCN(CSC)C(C)(C)C 2230a_100011200764_100011218213 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.9 CCN(CSC)C(C)(C)C 269982a_100011200764_100011218213 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.12 C#CCN(CC)C(=O)CC 11a_100000744766_100000210414 [0,2,0,0,0,0|1,0,1]=4 2029 B9R0.12 C#CCN(CC)C(=O)CC 1626a_100000744766_100000210414 [0,2,0,0,0,0|1,0,1]=4 2030 B9R0.12 C#CCN(CC)C(=O)CC 240690a_100000744766_100000210414 [0,2,0,0,0,0|1,0,1]=4 2031 B9R0.12 C#CCN(CC)C(=O)CC 527a_100000744766_100000210414 [0,2,0,0,0,0|1,0,1]=4 2032 B9R0.12 C#CCN(CC)C(=O)CO 240690a_100000744766_100000210174 [0,2,0,0,0,0|0,0,2]=4 2033 B9R0.12 C#CCN(CC)C(=O)CO 527a_100000744766_100000210174 [0,2,0,0,0,0|0,0,2]=4 2034 B9R0.12 C#CCN(CC)C(C)C#N 2230a_100000744766_100000184139 [0,2,0,0,0,0|1,0,1]=4 2035 B9R0.12 C#CCN(CC)C(C)C#N 269982a_100000744766_100000703298 [0,2,0,0,0,0|1,0,1]=4 2036 B9R0.12 C#CCN(CC)C(C)C=C 269982a_100000744766_100011215867 [0,2,0,0,0,0|1,0,1]=4 2037 B9R0.12 C#CCN(CC)C(C)CC 2230a_100000732650_100000038162 [0,2,0,0,0,0|1,0,1]=4 2038 B9R0.12 C#CCN(CC)C(C)CC 2230a_100000744766_100000758301 [0,2,0,0,0,0|1,0,1]=4 2039 B9R0.12 C#CCN(CC)C(C)CC 269982a_100000744766_100000758301 [0,2,0,0,0,0|1,0,1]=4 2040 B9R0.12 C#CCN(CC)C(C)CO 2230a_100000731049_100000038162 [0,2,0,0,0,0|0,0,1]=3 2041 B9R0.12 C#CCN(CC)C(C)CO 2230a_100000744766_100012180447 [0,2,0,0,0,0|0,0,1]=3 2042 B9R0.12 C#CCN(CC)C(C)OC 269982a_100000744766_100009879195 [0,2,0,0,0,0|1,0,1]=4 2043 B9R0.12 C#CCN(CC)[C@H](C)CO 269982a_100000744766_100016084084 [0,2,0,0,0,0|0,0,1]=3 2044 B9R0.12 C=CC(=O)N(CC)CCO 240690a_100000210973_200121576911 [0,2,0,0,0,0|0,0,2]=4 2045 B9R0.12 C=CC(C)N(CC)CCC 269982a_100000226822_100011215867 [0,2,0,0,0,0|1,0,0]=3 2046 B9R0.12 C=CC(C)N(CC)CCO 269982a_100000210973_100011215867 [0,2,0,0,0,0|0,0,0]=2 2047 B9R0.12 C=CCN(CC)C(C)CC 2230a_100000732650_100000210623 [0,2,0,0,0,0|1,0,1]=4 2048 B9R0.12 C=CCN(CC)C(C)CC 269982a_100000732650_100000210623 [0,2,0,0,0,0|1,0,1]=4 2049 B9R0.12 C=CCN(CC)C(C)CO 2230a_100000731049_100000210623 [0,2,0,0,0,0|0,0,1]=3 2050 B9R0.12 C=CCN(CC)C(C)CO 269982a_100000731049_100000210623 [0,2,0,0,0,0|0,0,1]=3 2051 B9R0.12 CCC(=O)N(CC)CCO 240690a_100000210973_100000210414 [0,2,0,0,0,0|0,0,0]=2 2052 B9R0.12 CCC(=O)N(CC)CCO 527a_100000210973_100000210414 [0,2,0,0,0,0|0,0,0]=2 2053 B9R0.12 CCC(C)N(CC)CC#N 2230a_100000732650_100011215382 [0,2,0,0,0,0|1,0,1]=4 2054 B9R0.12 CCC(C)N(CC)CC#N 269982a_100000732650_100011214920 [0,2,0,0,0,0|1,0,1]=4 2055 B9R0.12 CCC(C)N(CC)CC=O 2230a_100000732650_200015260668 [0,2,0,0,0,0|0,0,2]=4 2056 B9R0.12 CCC(C)N(CC)CC=O 269982a_100000732650_200015260668 [0,2,0,0,0,0|0,0,2]=4 2057 B9R0.12 CCC(C)N(CC)CCF 2230a_100000732650_100011217306 [0,2,0,0,0,0|1,0,0]=3 2058 B9R0.12 CCC(C)N(CC)CCF 269982a_100000732650_100011217306 [0,2,0,0,0,0|1,0,0]=3 2059 B9R0.12 CCC(C)N(CC)CCO 2230a_100000210973_100000758301 [0,2,0,0,0,0|0,0,0]=2 2060 B9R0.12 CCC(C)N(CC)CCO 2230a_100000732650_100000211926 [0,2,0,0,0,0|0,0,0]=2 2061 B9R0.12 CCC(C)N(CC)CCO 269982a_100000210973_100000758301 [0,2,0,0,0,0|0,0,0]=2 2062 B9R0.12 CCC(C)N(CC)CCO 269982a_100000732650_100000211926 [0,2,0,0,0,0|0,0,0]=2 2063 B9R0.12 CCC(C)N(CC)COC 2230a_100000732650_100000766300 [0,2,0,0,0,0|1,0,0]=3 2064 B9R0.12 CCC(C)N(CC)COC 269982a_100000732650_100000766300 [0,2,0,0,0,0|1,0,0]=3 2065 B9R0.12 CCC(C)N(CC)CSC 2230a_100000732650_100011218213 [0,2,0,0,0,0|1,0,0]=3 2066 B9R0.12 CCC(C)N(CC)CSC 269982a_100000732650_100011218213 [0,2,0,0,0,0|1,0,0]=3 2067 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [0,2,0,0,0,0|2,0,0]=4 2068 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [0,2,0,0,0,0|2,0,0]=4 2069 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [0,2,0,0,0,0|1,0,1]=4 2070 B9R0.12 CCCC(CC)N(C)CC 269982a_100000225621_100011219200 [0,2,0,0,0,0|2,0,0]=4 2071 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 2072 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 2073 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 2074 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [0,2,0,0,0,0|1,0,0]=3 2075 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [0,2,0,0,0,0|0,0,1]=3 2076 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [0,2,0,0,0,0|0,0,1]=3 2077 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [0,2,0,0,0,0|1,0,1]=4 2078 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [0,2,0,0,0,0|1,0,1]=4 2079 B9R0.12 CCCN(CC)C(C)C#N 2230a_100000226822_100000184139 [0,2,0,0,0,0|1,0,0]=3 2080 B9R0.12 CCCN(CC)C(C)C#N 269982a_100000226822_100000703298 [0,2,0,0,0,0|1,0,0]=3 2081 B9R0.12 CCCN(CC)C(C)CC 2230a_100000226822_100000758301 [0,2,0,0,0,0|1,0,0]=3 2082 B9R0.12 CCCN(CC)C(C)CC 2230a_100000732650_100000210303 [0,2,0,0,0,0|1,0,0]=3 2083 B9R0.12 CCCN(CC)C(C)CC 2230a_200011216551_100000210202 [0,2,0,0,0,0|1,0,0]=3 2084 B9R0.12 CCCN(CC)C(C)CC 269982a_100000226822_100000758301 [0,2,0,0,0,0|1,0,0]=3 2085 B9R0.12 CCCN(CC)C(C)CC 269982a_100000732650_100000210303 [0,2,0,0,0,0|1,0,0]=3 2086 B9R0.12 CCCN(CC)C(C)CC 269982a_200011216551_100000204670 [0,2,0,0,0,0|1,0,0]=3 2087 B9R0.12 CCCN(CC)C(C)CO 2230a_100000226822_100012180447 [0,2,0,0,0,0|0,0,0]=2 2088 B9R0.12 CCCN(CC)C(C)CO 2230a_100000731049_100000210303 [0,2,0,0,0,0|0,0,0]=2 2089 B9R0.12 CCCN(CC)C(C)CO 2230a_100011303929_100000210202 [0,2,0,0,0,0|0,0,0]=2 2090 B9R0.12 CCCN(CC)C(C)CO 269982a_100000731049_100000210303 [0,2,0,0,0,0|0,0,0]=2 2091 B9R0.12 CCCN(CC)C(C)CO 269982a_100011303929_100000204670 [0,2,0,0,0,0|0,0,0]=2 2092 B9R0.12 CCCN(CC)C(C)OC 269982a_100000226822_100009879195 [0,2,0,0,0,0|1,0,0]=3 2093 B9R0.12 CCCN(CC)[C@H](C)CO 269982a_100000226822_100016084084 [0,2,0,0,0,0|0,0,0]=2 2094 B9R0.12 CCCN(CF)C(C)CC 269982a_200011216551_100015361967 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.12 CCCN(CF)C(C)CO 269982a_100011303929_100015361967 [0,2,0,0,0,0|1,0,0]=3 2096 B9R0.12 CCN(CC#N)C(C)CO 2230a_100000731049_100011215382 [0,2,0,0,0,0|0,0,1]=3 2097 B9R0.12 CCN(CC#N)C(C)CO 269982a_100000731049_100011214920 [0,2,0,0,0,0|0,0,1]=3 2098 B9R0.12 CCN(CC=O)C(C)CO 2230a_100000731049_200015260668 [0,2,0,0,0,0|0,0,1]=3 2099 B9R0.12 CCN(CC=O)C(C)CO 269982a_100000731049_200015260668 [0,2,0,0,0,0|0,0,1]=3 2100 B9R0.12 CCN(CCF)C(C)CO 2230a_100000731049_100011217306 [0,2,0,0,0,0|0,0,0]=2 2101 B9R0.12 CCN(CCF)C(C)CO 269982a_100000731049_100011217306 [0,2,0,0,0,0|0,0,0]=2 2102 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [0,2,0,0,0,0|0,0,1]=3 2103 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [0,2,0,0,0,0|0,0,1]=3 2104 B9R0.12 CCN(CCO)C(=O)NC 2708a_100102657272_100000210973 [0,2,0,0,0,0|0,0,1]=3 2105 B9R0.12 CCN(CCO)C(=O)NC 273464a_100102657272_100000210973 [0,2,0,0,0,0|0,0,1]=3 2106 B9R0.12 CCN(CCO)C(C)C#N 2230a_100000210973_100000184139 [0,2,0,0,0,0|0,0,0]=2 2107 B9R0.12 CCN(CCO)C(C)C#N 269982a_100000210973_100000703298 [0,2,0,0,0,0|0,0,0]=2 2108 B9R0.12 CCN(CCO)C(C)CO 2230a_100000210973_100012180447 [0,2,0,0,0,0|0,0,0]=2 2109 B9R0.12 CCN(CCO)C(C)CO 2230a_100000731049_100000211926 [0,2,0,0,0,0|0,0,0]=2 2110 B9R0.12 CCN(CCO)C(C)CO 269982a_100000731049_100000211926 [0,2,0,0,0,0|0,0,0]=2 2111 B9R0.12 CCN(CCO)C(C)OC 269982a_100000210973_100009879195 [0,2,0,0,0,0|0,0,0]=2 2112 B9R0.12 CCN(CCO)[C@H](C)CO 269982a_100000210973_100016084084 [0,2,0,0,0,0|0,0,0]=2 2113 B9R0.12 CCN(COC)C(C)CO 2230a_100000731049_100000766300 [0,2,0,0,0,0|0,0,0]=2 2114 B9R0.12 CCN(COC)C(C)CO 269982a_100000731049_100000766300 [0,2,0,0,0,0|0,0,0]=2 2115 B9R0.12 CCN(CSC)C(C)CO 2230a_100000731049_100011218213 [0,2,0,0,0,0|0,0,0]=2 2116 B9R0.12 CCN(CSC)C(C)CO 269982a_100000731049_100011218213 [0,2,0,0,0,0|0,0,0]=2 2117 B9R0.15 C#CCN(CCC)C(C)C 2230a_106256033942_100000038162 [0,2,0,0,0,0|1,0,1]=4 2118 B9R0.15 C#CCN(CCO)C(C)C 2230a_100000224655_100000038162 [0,2,0,0,0,0|0,0,1]=3 2119 B9R0.15 C=CCN(CCC)C(C)C 2230a_100000742772_100000210303 [0,2,0,0,0,0|1,0,1]=4 2120 B9R0.15 C=CCN(CCC)C(C)C 2230a_106256033942_100000210623 [0,2,0,0,0,0|1,0,1]=4 2121 B9R0.15 C=CCN(CCC)C(C)C 269982a_100000742772_100000210303 [0,2,0,0,0,0|1,0,1]=4 2122 B9R0.15 C=CCN(CCC)C(C)C 269982a_106256033942_100000210623 [0,2,0,0,0,0|1,0,1]=4 2123 B9R0.15 C=CCN(CCF)C(C)C 2230a_100000742772_100011217306 [0,2,0,0,0,0|1,0,1]=4 2124 B9R0.15 C=CCN(CCF)C(C)C 269982a_100000742772_100011217306 [0,2,0,0,0,0|1,0,1]=4 2125 B9R0.15 C=CCN(CCO)C(C)C 2230a_100000224655_100000210623 [0,2,0,0,0,0|0,0,1]=3 2126 B9R0.15 C=CCN(CCO)C(C)C 2230a_100000742772_100000211926 [0,2,0,0,0,0|0,0,1]=3 2127 B9R0.15 C=CCN(CCO)C(C)C 269982a_100000224655_100000210623 [0,2,0,0,0,0|0,0,1]=3 2128 B9R0.15 C=CCN(CCO)C(C)C 269982a_100000742772_100000211926 [0,2,0,0,0,0|0,0,1]=3 2129 B9R0.15 C=CCN(COC)C(C)C 2230a_100000742772_100000766300 [0,2,0,0,0,0|1,0,1]=4 2130 B9R0.15 C=CCN(COC)C(C)C 269982a_100000742772_100000766300 [0,2,0,0,0,0|1,0,1]=4 2131 B9R0.15 C=CCN(CSC)C(C)C 2230a_100000742772_100011218213 [0,2,0,0,0,0|1,0,1]=4 2132 B9R0.15 C=CCN(CSC)C(C)C 269982a_100000742772_100011218213 [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [0,2,0,0,0,0|0,0,1]=3 2134 B9R0.15 CC(C)C(CCO)NCF 34a_100161115045_100015361967 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.15 CC(C)N(CC#N)CCO 2230a_100000224655_100011215382 [0,2,0,0,0,0|0,0,1]=3 2136 B9R0.15 CC(C)N(CC#N)CCO 269982a_100000224655_100011214920 [0,2,0,0,0,0|0,0,1]=3 2137 B9R0.15 CC(C)N(CC=O)CCO 2230a_100000224655_200015260668 [0,2,0,0,0,0|0,0,1]=3 2138 B9R0.15 CC(C)N(CC=O)CCO 269982a_100000224655_200015260668 [0,2,0,0,0,0|0,0,1]=3 2139 B9R0.15 CC(C)N(CCO)CCF 2230a_100000224655_100011217306 [0,2,0,0,0,0|0,0,0]=2 2140 B9R0.15 CC(C)N(CCO)CCF 269982a_100000224655_100011217306 [0,2,0,0,0,0|0,0,0]=2 2141 B9R0.15 CC(C)N(CCO)CCO 2230a_100000210587_100000210206 [0,2,0,0,0,0|0,0,0]=2 2142 B9R0.15 CC(C)N(CCO)CCO 2230a_100000224655_100000211926 [0,2,0,0,0,0|0,0,0]=2 2143 B9R0.15 CC(C)N(CCO)CCO 269982a_100000210587_100000210206 [0,2,0,0,0,0|0,0,0]=2 2144 B9R0.15 CC(C)N(CCO)CCO 269982a_100000224655_100000211926 [0,2,0,0,0,0|0,0,0]=2 2145 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,2,0,0,0,0|2,0,0]=4 2146 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,2,0,0,0,0|2,0,0]=4 2147 B9R0.15 CCCN(CC#N)C(C)C 2230a_106256033942_100011215382 [0,2,0,0,0,0|1,0,1]=4 2148 B9R0.15 CCCN(CC#N)C(C)C 269982a_106256033942_100011214920 [0,2,0,0,0,0|1,0,1]=4 2149 B9R0.15 CCCN(CC=O)C(C)C 2230a_106256033942_200015260668 [0,2,0,0,0,0|0,0,2]=4 2150 B9R0.15 CCCN(CC=O)C(C)C 269982a_106256033942_200015260668 [0,2,0,0,0,0|0,0,2]=4 2151 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,2,0,0,0,0|1,0,1]=4 2152 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,2,0,0,0,0|1,0,1]=4 2153 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,2,0,0,0,0|1,0,1]=4 2154 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,2,0,0,0,0|1,0,1]=4 2155 B9R0.15 CCCN(CCC)C(C)C 2230a_100000210455_100000210206 [0,2,0,0,0,0|1,0,0]=3 2156 B9R0.15 CCCN(CCC)C(C)C 2230a_106256033942_100000210303 [0,2,0,0,0,0|1,0,0]=3 2157 B9R0.15 CCCN(CCC)C(C)C 269982a_100000210455_100000210206 [0,2,0,0,0,0|1,0,0]=3 2158 B9R0.15 CCCN(CCC)C(C)C 269982a_106256033942_100000210303 [0,2,0,0,0,0|1,0,0]=3 2159 B9R0.15 CCCN(CCF)C(C)C 2230a_106256033942_100011217306 [0,2,0,0,0,0|1,0,0]=3 2160 B9R0.15 CCCN(CCF)C(C)C 269982a_106256033942_100011217306 [0,2,0,0,0,0|1,0,0]=3 2161 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,2,0,0,0,0|0,0,1]=3 2162 B9R0.15 CCCN(CCO)C(C)C 2230a_100000211420_100000210206 [0,2,0,0,0,0|0,0,0]=2 2163 B9R0.15 CCCN(CCO)C(C)C 2230a_100000224655_100000210303 [0,2,0,0,0,0|0,0,0]=2 2164 B9R0.15 CCCN(CCO)C(C)C 2230a_106256033942_100000211926 [0,2,0,0,0,0|0,0,0]=2 2165 B9R0.15 CCCN(CCO)C(C)C 269982a_100000211420_100000210206 [0,2,0,0,0,0|0,0,0]=2 2166 B9R0.15 CCCN(CCO)C(C)C 269982a_100000224655_100000210303 [0,2,0,0,0,0|0,0,0]=2 2167 B9R0.15 CCCN(CCO)C(C)C 269982a_106256033942_100000211926 [0,2,0,0,0,0|0,0,0]=2 2168 B9R0.15 CCCN(COC)C(C)C 2230a_106256033942_100000766300 [0,2,0,0,0,0|1,0,0]=3 2169 B9R0.15 CCCN(COC)C(C)C 269982a_106256033942_100000766300 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.15 CCCN(CSC)C(C)C 2230a_106256033942_100011218213 [0,2,0,0,0,0|1,0,0]=3 2171 B9R0.15 CCCN(CSC)C(C)C 269982a_106256033942_100011218213 [0,2,0,0,0,0|1,0,0]=3 2172 B9R0.15 CCNC(CCO)C(C)C 2230a_100161115045_100000210202 [0,2,0,0,0,0|1,0,0]=3 2173 B9R0.15 CCNC(CCO)C(C)C 34a_100161115045_100000210202 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.15 COCN(CCO)C(C)C 2230a_100000224655_100000766300 [0,2,0,0,0,0|0,0,0]=2 2175 B9R0.15 COCN(CCO)C(C)C 269982a_100000224655_100000766300 [0,2,0,0,0,0|0,0,0]=2 2176 B9R0.15 CSCN(CCO)C(C)C 2230a_100000224655_100011218213 [0,2,0,0,0,0|0,0,0]=2 2177 B9R0.15 CSCN(CCO)C(C)C 269982a_100000224655_100011218213 [0,2,0,0,0,0|0,0,0]=2 2178 B9R0.29 C=CC(C)N(CC)C(C)C 269982a_100000223864_100011215867 [0,2,0,0,0,0|1,0,1]=4 2179 B9R0.29 CCC(=O)N(CC)C(C)C 11a_100000223864_100000210414 [0,2,0,0,0,0|1,0,1]=4 2180 B9R0.29 CCC(=O)N(CC)C(C)C 1626a_100000223864_100000210414 [0,2,0,0,0,0|1,0,1]=4 2181 B9R0.29 CCC(=O)N(CC)C(C)C 240690a_100000223864_100000210414 [0,2,0,0,0,0|1,0,1]=4 2182 B9R0.29 CCC(=O)N(CC)C(C)C 527a_100000223864_100000210414 [0,2,0,0,0,0|1,0,1]=4 2183 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [0,2,0,0,0,0|1,0,1]=4 2184 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [0,2,0,0,0,0|1,0,1]=4 2185 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [0,2,0,0,0,0|1,0,1]=4 2186 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.29 CCC(C)N(CC)C(C)C 2230a_100000223864_100000758301 [0,2,0,0,0,0|1,0,0]=3 2188 B9R0.29 CCC(C)N(CC)C(C)C 2230a_100000732650_100000210206 [0,2,0,0,0,0|1,0,0]=3 2189 B9R0.29 CCC(C)N(CC)C(C)C 269982a_100000223864_100000758301 [0,2,0,0,0,0|1,0,0]=3 2190 B9R0.29 CCC(C)N(CC)C(C)C 269982a_100000732650_100000210206 [0,2,0,0,0,0|1,0,0]=3 2191 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [0,2,0,0,0,0|0,0,1]=3 2192 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [0,2,0,0,0,0|0,0,1]=3 2193 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [0,2,0,0,0,0|0,0,1]=3 2194 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [0,2,0,0,0,0|0,0,1]=3 2195 B9R0.29 CCN(C(C)C)C(C)C#N 2230a_100000223864_100000184139 [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.29 CCN(C(C)C)C(C)C#N 269982a_100000223864_100000703298 [0,2,0,0,0,0|1,0,1]=4 2197 B9R0.29 CCN(C(C)C)C(C)CO 2230a_100000223864_100012180447 [0,2,0,0,0,0|0,0,0]=2 2198 B9R0.29 CCN(C(C)C)C(C)CO 2230a_100000731049_100000210206 [0,2,0,0,0,0|0,0,0]=2 2199 B9R0.29 CCN(C(C)C)C(C)CO 269982a_100000731049_100000210206 [0,2,0,0,0,0|0,0,0]=2 2200 B9R0.29 CCN(C(C)C)C(C)OC 269982a_100000223864_100009879195 [0,2,0,0,0,0|2,0,0]=4 2201 B9R0.29 CCN(C(C)C)[C@H](C)CO 269982a_100000223864_100016084084 [0,2,0,0,0,0|0,0,0]=2 2202 B9R0.33 C#CCN(C(C)C)C(C)C 2230a_100000086832_100000038162 [0,2,0,0,0,0|1,0,1]=4 2203 B9R0.33 C#CCN(C(C)C)C(C)C 34a_100000086832_100000184674 [0,2,0,0,0,0|1,0,1]=4 2204 B9R0.33 C=CCN(C(C)C)C(C)C 2230a_100000086832_100000210623 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.33 C=CCN(C(C)C)C(C)C 2230a_100000742772_100000210206 [0,2,0,0,0,0|1,0,1]=4 2206 B9R0.33 C=CCN(C(C)C)C(C)C 269982a_100000086832_100000210623 [0,2,0,0,0,0|1,0,1]=4 2207 B9R0.33 C=CCN(C(C)C)C(C)C 269982a_100000742772_100000210206 [0,2,0,0,0,0|1,0,1]=4 2208 B9R0.33 C=CCN(C(C)C)C(C)C 34a_100000086832_100015514636 [0,2,0,0,0,0|1,0,1]=4 2209 B9R0.33 CC(=O)N(CCO)C(C)C 240690a_100000224655_100015343762 [0,2,0,0,0,0|0,0,1]=3 2210 B9R0.33 CC(C)N(CC#N)C(C)C 2230a_100000086832_100011215382 [0,2,0,0,0,0|1,0,1]=4 2211 B9R0.33 CC(C)N(CC#N)C(C)C 269982a_100000086832_100011214920 [0,2,0,0,0,0|1,0,1]=4 2212 B9R0.33 CC(C)N(CC=O)C(C)C 2230a_100000086832_200015260668 [0,2,0,0,0,0|0,0,2]=4 2213 B9R0.33 CC(C)N(CC=O)C(C)C 269982a_100000086832_200015260668 [0,2,0,0,0,0|0,0,2]=4 2214 B9R0.33 CC(C)N(CC=O)C(C)C 34a_100000086832_200009817547 [0,2,0,0,0,0|0,0,2]=4 2215 B9R0.33 CC(C)N(CCF)C(C)C 2230a_100000086832_100011217306 [0,2,0,0,0,0|1,0,0]=3 2216 B9R0.33 CC(C)N(CCF)C(C)C 269982a_100000086832_100011217306 [0,2,0,0,0,0|1,0,0]=3 2217 B9R0.33 CC(C)N(CCF)C(C)C 34a_100000086832_100011217306 [0,2,0,0,0,0|1,0,0]=3 2218 B9R0.33 CC(C)N(CCO)C(C)C 2230a_100000086832_100000211926 [0,2,0,0,0,0|0,0,0]=2 2219 B9R0.33 CC(C)N(CCO)C(C)C 2230a_100000224655_100000210206 [0,2,0,0,0,0|0,0,0]=2 2220 B9R0.33 CC(C)N(CCO)C(C)C 269982a_100000086832_100000211926 [0,2,0,0,0,0|0,0,0]=2 2221 B9R0.33 CC(C)N(CCO)C(C)C 269982a_100000224655_100000210206 [0,2,0,0,0,0|0,0,0]=2 2222 B9R0.33 CC(C)N(CCO)C(C)C 34a_100000086832_100000211926 [0,2,0,0,0,0|0,0,0]=2 2223 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,2,0,0,0,0|1,0,1]=4 2224 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,2,0,0,0,0|1,0,1]=4 2225 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,2,0,0,0,0|1,0,1]=4 2226 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,2,0,0,0,0|1,0,1]=4 2227 B9R0.33 CCCN(C(C)C)C(C)C 2230a_100000086832_100000210303 [0,2,0,0,0,0|1,0,0]=3 2228 B9R0.33 CCCN(C(C)C)C(C)C 2230a_106256033942_100000210206 [0,2,0,0,0,0|1,0,0]=3 2229 B9R0.33 CCCN(C(C)C)C(C)C 269982a_100000086832_100000210303 [0,2,0,0,0,0|1,0,0]=3 2230 B9R0.33 CCCN(C(C)C)C(C)C 269982a_106256033942_100000210206 [0,2,0,0,0,0|1,0,0]=3 2231 B9R0.33 CCCN(C(C)C)C(C)C 34a_100000086832_100000210303 [0,2,0,0,0,0|1,0,0]=3 2232 B9R0.33 COCN(C(C)C)C(C)C 2230a_100000086832_100000766300 [0,2,0,0,0,0|2,0,0]=4 2233 B9R0.33 COCN(C(C)C)C(C)C 269982a_100000086832_100000766300 [0,2,0,0,0,0|2,0,0]=4 2234 B9R0.33 CSCN(C(C)C)C(C)C 2230a_100000086832_100011218213 [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.33 CSCN(C(C)C)C(C)C 269982a_100000086832_100011218213 [0,2,0,0,0,0|2,0,0]=4 2236 B9R0.33 CSCN(C(C)C)C(C)C 34a_100000086832_100011218213 [0,2,0,0,0,0|2,0,0]=4 2237 B9R0.39 C=C(C)CN(CC)C(C)C 2230a_100000211296_100000210206 [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.39 C=C(C)CN(CC)C(C)C 2230a_100000223864_100000748629 [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.39 C=C(C)CN(CC)C(C)C 269982a_100000211296_100000210206 [0,2,0,0,0,0|1,0,1]=4 2240 B9R0.39 C=C(C)CN(CC)C(C)C 269982a_100000223864_100000748629 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.39 C=C(F)CN(CC)C(C)C 2230a_100000223864_100009893438 [0,2,0,0,0,0|1,0,1]=4 2242 B9R0.39 C=C(F)CN(CC)C(C)C 269982a_100000223864_100009893438 [0,2,0,0,0,0|1,0,1]=4 2243 B9R0.39 CC(C)CN(CF)C(C)C 269982a_100000737641_100015361967 [0,2,0,0,0,0|2,0,0]=4 2244 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [0,2,0,0,0,0|0,0,2]=4 2245 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [0,2,0,0,0,0|0,0,2]=4 2246 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,2,0,0,0,0|0,0,1]=3 2247 B9R0.39 CCN(CC(=O)[O-])C(C)C 269982a_100000223864_100020667443 [0,2,0,0,0,0|0,0,2]=4 2248 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,2,0,0,0,0|1,0,1]=4 2250 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,2,0,0,0,0|1,0,1]=4 2251 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,2,0,0,0,0|1,0,1]=4 2252 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000223864_100000210760 [0,2,0,0,0,0|1,0,0]=3 2253 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000737641_100000210202 [0,2,0,0,0,0|1,0,0]=3 2254 B9R0.39 CCN(CC(C)C)C(C)C 2230a_100000738554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2255 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000223864_100000210624 [0,2,0,0,0,0|1,0,0]=3 2256 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000737641_100000204670 [0,2,0,0,0,0|1,0,0]=3 2257 B9R0.39 CCN(CC(C)C)C(C)C 269982a_100000738554_100000210206 [0,2,0,0,0,0|1,0,0]=3 2258 B9R0.39 CCN(CC(C)C)C(C)C 270004a_100000223864_100000210432 [0,2,0,0,0,0|1,0,0]=3 2259 B9R0.39 CCN(CC(C)O)C(C)C 2230a_100000223864_100011218427 [0,2,0,0,0,0|0,0,0]=2 2260 B9R0.39 CCN(CC(C)O)C(C)C 269982a_100000223864_100011218427 [0,2,0,0,0,0|0,0,0]=2 2261 B9R0.39 CCN(CC(F)F)C(C)C 2230a_100000223864_100011934356 [0,2,0,0,0,0|1,0,0]=3 2262 B9R0.39 CCN(CC(F)F)C(C)C 269982a_100000223864_100011934356 [0,2,0,0,0,0|1,0,0]=3 2263 B9R0.39 CCN(C[C@@H](C)O)C(C)C 2230a_100000223864_100009817552 [0,2,0,0,0,0|0,0,0]=2 2264 B9R0.39 CCN(C[C@@H](C)O)C(C)C 269982a_100000223864_100009817552 [0,2,0,0,0,0|0,0,0]=2 2265 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,2,0,0,0,0|0,0,1]=3 2266 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,2,0,0,0,0|0,0,1]=3 2267 B9R0.39 CCN(C[C@H](C)O)C(C)C 2230a_100000729506_100000210206 [0,2,0,0,0,0|0,0,0]=2 2268 B9R0.39 CCN(C[C@H](C)O)C(C)C 269982a_100000729506_100000210206 [0,2,0,0,0,0|0,0,0]=2 2269 B9R0.39 CCN(C[N+](=O)[O-])C(C)C 269982a_100000223864_100000761209 [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.14 C#CCN(CC)CC(=C)C 2230a_100000211296_100000038162 [0,2,0,0,0,0|1,0,1]=4 2271 B9R0.14 C#CCN(CC)CC(=C)C 2230a_100000744766_100000748629 [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.14 C#CCN(CC)CC(=C)C 269982a_100000744766_100000748629 [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100000746405_100000184674 [0,2,0,0,0,0|0,0,2]=4 2274 B9R0.14 C#CCN(CC)CC(=O)O 269956a_100011236498_100000210202 [0,2,0,0,0,0|0,0,2]=4 2275 B9R0.14 C#CCN(CC)CC(C)C 2230a_100000738554_100000038162 [0,2,0,0,0,0|1,0,1]=4 2276 B9R0.14 C#CCN(CC)CC(C)C 2230a_100000744766_100000210760 [0,2,0,0,0,0|1,0,1]=4 2277 B9R0.14 C#CCN(CC)CC(C)C 269982a_100000744766_100000210624 [0,2,0,0,0,0|1,0,1]=4 2278 B9R0.14 C#CCN(CC)CC(C)C 270004a_100000744766_100000210432 [0,2,0,0,0,0|1,0,1]=4 2279 B9R0.14 C#CCN(CC)CC(C)O 2230a_100000744766_100011218427 [0,2,0,0,0,0|0,0,1]=3 2280 B9R0.14 C#CCN(CC)CC(C)O 269982a_100000744766_100011218427 [0,2,0,0,0,0|0,0,1]=3 2281 B9R0.14 C#CCN(CC)CC(F)F 2230a_100000744766_100011934356 [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.14 C#CCN(CC)CC(F)F 269982a_100000744766_100011934356 [0,2,0,0,0,0|1,0,1]=4 2283 B9R0.14 C#CCN(CC)C[C@@H](C)O 2230a_100000744766_100009817552 [0,2,0,0,0,0|0,0,1]=3 2284 B9R0.14 C#CCN(CC)C[C@@H](C)O 269982a_100000744766_100009817552 [0,2,0,0,0,0|0,0,1]=3 2285 B9R0.14 C#CCN(CC)C[C@H](C)O 2230a_100000729506_100000038162 [0,2,0,0,0,0|0,0,1]=3 2286 B9R0.14 C=C(C)CN(CC)CC#N 2230a_100000211296_100011215382 [0,2,0,0,0,0|1,0,1]=4 2287 B9R0.14 C=C(C)CN(CC)CC#N 269982a_100000211296_100011214920 [0,2,0,0,0,0|1,0,1]=4 2288 B9R0.14 C=C(C)CN(CC)CC=O 2230a_100000211296_200015260668 [0,2,0,0,0,0|0,0,2]=4 2289 B9R0.14 C=C(C)CN(CC)CC=O 269982a_100000211296_200015260668 [0,2,0,0,0,0|0,0,2]=4 2290 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000211296_100000210303 [0,2,0,0,0,0|1,0,0]=3 2291 B9R0.14 C=C(C)CN(CC)CCC 2230a_100000226822_100000748629 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000211296_100000210303 [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.14 C=C(C)CN(CC)CCC 269982a_100000226822_100000748629 [0,2,0,0,0,0|1,0,0]=3 2294 B9R0.14 C=C(C)CN(CC)CCF 2230a_100000211296_100011217306 [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.14 C=C(C)CN(CC)CCF 269982a_100000211296_100011217306 [0,2,0,0,0,0|1,0,0]=3 2296 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000210973_100000748629 [0,2,0,0,0,0|0,0,0]=2 2297 B9R0.14 C=C(C)CN(CC)CCO 2230a_100000211296_100000211926 [0,2,0,0,0,0|0,0,0]=2 2298 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000210973_100000748629 [0,2,0,0,0,0|0,0,0]=2 2299 B9R0.14 C=C(C)CN(CC)CCO 269982a_100000211296_100000211926 [0,2,0,0,0,0|0,0,0]=2 2300 B9R0.14 C=C(C)CN(CC)COC 2230a_100000211296_100000766300 [0,2,0,0,0,0|1,0,1]=4 2301 B9R0.14 C=C(C)CN(CC)COC 269982a_100000211296_100000766300 [0,2,0,0,0,0|1,0,1]=4 2302 B9R0.14 C=C(C)CN(CC)CSC 2230a_100000211296_100011218213 [0,2,0,0,0,0|1,0,1]=4 2303 B9R0.14 C=C(C)CN(CC)CSC 269982a_100000211296_100011218213 [0,2,0,0,0,0|1,0,1]=4 2304 B9R0.14 C=C(F)CN(CC)CCC 2230a_100000226822_100009893438 [0,2,0,0,0,0|1,0,1]=4 2305 B9R0.14 C=C(F)CN(CC)CCC 269982a_100000226822_100009893438 [0,2,0,0,0,0|1,0,1]=4 2306 B9R0.14 C=C(F)CN(CC)CCO 2230a_100000210973_100009893438 [0,2,0,0,0,0|0,0,1]=3 2307 B9R0.14 C=C(F)CN(CC)CCO 269982a_100000210973_100009893438 [0,2,0,0,0,0|0,0,1]=3 2308 B9R0.14 C=CCN(CC)CC(=C)C 2230a_100000211296_100000210623 [0,2,0,0,0,0|1,0,1]=4 2309 B9R0.14 C=CCN(CC)CC(=C)C 269982a_100000211296_100000210623 [0,2,0,0,0,0|1,0,1]=4 2310 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000744315_100000210202 [0,2,0,0,0,0|0,0,2]=4 2311 B9R0.14 C=CCN(CC)CC(=O)O 269956a_100000746405_100000210623 [0,2,0,0,0,0|0,0,2]=4 2312 B9R0.14 C=CCN(CC)CC(C)C 2230a_100000738554_100000210623 [0,2,0,0,0,0|1,0,1]=4 2313 B9R0.14 C=CCN(CC)CC(C)C 269982a_100000738554_100000210623 [0,2,0,0,0,0|1,0,1]=4 2314 B9R0.14 C=CCN(CC)C[C@H](C)O 2230a_100000729506_100000210623 [0,2,0,0,0,0|0,0,1]=3 2315 B9R0.14 C=CCN(CC)C[C@H](C)O 269982a_100000729506_100000210623 [0,2,0,0,0,0|0,0,1]=3 2316 B9R0.14 CC(C)CN(CF)CCO 269982a_100015185251_100015361967 [0,2,0,0,0,0|1,0,0]=3 2317 B9R0.14 CC(C)C[C@@H](CCO)N[13CH3] 2230a_100161151251_200025704644 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.14 CC(O)CN(CF)CCO 269982a_100000731851_100015361967 [0,2,0,0,0,0|1,0,0]=3 2319 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [0,2,0,0,0,0|2,0,0]=4 2321 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [0,2,0,0,0,0|2,0,0]=4 2323 B9R0.14 CCCC(CC)NC(C)C 2230a_100000747048_100000210206 [0,2,0,0,0,0|2,0,0]=4 2324 B9R0.14 CCCC(CC)OC(C)C 34a_100000687864_100000210206 [0,2,0,0,0,0|2,0,0]=4 2325 B9R0.14 CCCC(CC)OC(C)C 7a_100000687864_100000210206 [0,2,0,0,0,0|2,0,0]=4 2326 B9R0.14 CCCC(CC)SC(C)C 62a_100000210206_100011219200 [0,2,0,0,0,0|2,0,0]=4 2327 B9R0.14 CCCC(CC)SC(C)C 62a_100011219200_100000210206 [0,2,0,0,0,0|2,0,0]=4 2328 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [0,2,0,0,0,0|0,0,2]=4 2329 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [0,2,0,0,0,0|0,0,2]=4 2330 B9R0.14 CCCN(CC)CC(=O)O 269956a_100000746405_100000210207 [0,2,0,0,0,0|0,0,1]=3 2331 B9R0.14 CCCN(CC)CC(=O)[O-] 269982a_100000226822_100020667443 [0,2,0,0,0,0|0,0,2]=4 2332 B9R0.14 CCCN(CC)CC(C)C 2230a_100000226822_100000210760 [0,2,0,0,0,0|1,0,0]=3 2333 B9R0.14 CCCN(CC)CC(C)C 2230a_100000738554_100000210303 [0,2,0,0,0,0|1,0,0]=3 2334 B9R0.14 CCCN(CC)CC(C)C 269982a_100000226822_100000210624 [0,2,0,0,0,0|1,0,0]=3 2335 B9R0.14 CCCN(CC)CC(C)C 269982a_100000738554_100000210303 [0,2,0,0,0,0|1,0,0]=3 2336 B9R0.14 CCCN(CC)CC(C)C 270004a_100000226822_100000210432 [0,2,0,0,0,0|1,0,0]=3 2337 B9R0.14 CCCN(CC)CC(C)O 2230a_100000226822_100011218427 [0,2,0,0,0,0|0,0,0]=2 2338 B9R0.14 CCCN(CC)CC(C)O 269982a_100000226822_100011218427 [0,2,0,0,0,0|0,0,0]=2 2339 B9R0.14 CCCN(CC)CC(F)F 2230a_100000226822_100011934356 [0,2,0,0,0,0|1,0,0]=3 2340 B9R0.14 CCCN(CC)CC(F)F 269982a_100000226822_100011934356 [0,2,0,0,0,0|1,0,0]=3 2341 B9R0.14 CCCN(CC)C[C@@H](C)O 2230a_100000226822_100009817552 [0,2,0,0,0,0|0,0,0]=2 2342 B9R0.14 CCCN(CC)C[C@@H](C)O 269982a_100000226822_100009817552 [0,2,0,0,0,0|0,0,0]=2 2343 B9R0.14 CCCN(CC)C[C@H](C)O 2230a_100000729506_100000210303 [0,2,0,0,0,0|0,0,0]=2 2344 B9R0.14 CCCN(CC)C[C@H](C)O 269982a_100000729506_100000210303 [0,2,0,0,0,0|0,0,0]=2 2345 B9R0.14 CCCN(CC)C[N+](=O)[O-] 269982a_100000226822_100000761209 [0,2,0,0,0,0|1,0,1]=4 2346 B9R0.14 CCN(CC#N)CC(=O)O 269956a_100000746405_100011215382 [0,2,0,0,0,0|0,0,2]=4 2347 B9R0.14 CCN(CC#N)CC(C)C 2230a_100000738554_100011215382 [0,2,0,0,0,0|1,0,1]=4 2348 B9R0.14 CCN(CC#N)CC(C)C 269982a_100000738554_100011214920 [0,2,0,0,0,0|1,0,1]=4 2349 B9R0.14 CCN(CC#N)C[C@H](C)O 2230a_100000729506_100011215382 [0,2,0,0,0,0|0,0,1]=3 2350 B9R0.14 CCN(CC#N)C[C@H](C)O 269982a_100000729506_100011214920 [0,2,0,0,0,0|0,0,1]=3 2351 B9R0.14 CCN(CC=O)CC(=O)O 269956a_100000746405_200015260668 [0,2,0,0,0,0|0,0,2]=4 2352 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [0,2,0,0,0,0|0,0,2]=4 2353 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [0,2,0,0,0,0|0,0,2]=4 2354 B9R0.14 CCN(CC=O)C[C@H](C)O 2230a_100000729506_200015260668 [0,2,0,0,0,0|0,0,1]=3 2355 B9R0.14 CCN(CC=O)C[C@H](C)O 269982a_100000729506_200015260668 [0,2,0,0,0,0|0,0,1]=3 2356 B9R0.14 CCN(CCF)CC(=O)O 269956a_100000746405_100011217306 [0,2,0,0,0,0|0,0,1]=3 2357 B9R0.14 CCN(CCF)CC(C)C 2230a_100000738554_100011217306 [0,2,0,0,0,0|1,0,0]=3 2358 B9R0.14 CCN(CCF)CC(C)C 269982a_100000738554_100011217306 [0,2,0,0,0,0|1,0,0]=3 2359 B9R0.14 CCN(CCF)C[C@H](C)O 2230a_100000729506_100011217306 [0,2,0,0,0,0|0,0,0]=2 2360 B9R0.14 CCN(CCF)C[C@H](C)O 269982a_100000729506_100011217306 [0,2,0,0,0,0|0,0,0]=2 2361 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [0,2,0,0,0,0|0,0,1]=3 2362 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [0,2,0,0,0,0|0,0,1]=3 2363 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000746405_100000211926 [0,2,0,0,0,0|0,0,1]=3 2364 B9R0.14 CCN(CCO)CC(=O)O 269956a_100000747938_100000210202 [0,2,0,0,0,0|0,0,1]=3 2365 B9R0.14 CCN(CCO)CC(=O)[O-] 269982a_100000210973_100020667443 [0,2,0,0,0,0|0,0,1]=3 2366 B9R0.14 CCN(CCO)CC(C)C 2230a_100000210973_100000210760 [0,2,0,0,0,0|0,0,0]=2 2367 B9R0.14 CCN(CCO)CC(C)C 2230a_100000738554_100000211926 [0,2,0,0,0,0|0,0,0]=2 2368 B9R0.14 CCN(CCO)CC(C)C 2230a_100015185251_100000210202 [0,2,0,0,0,0|0,0,0]=2 2369 B9R0.14 CCN(CCO)CC(C)C 269982a_100000210973_100000210624 [0,2,0,0,0,0|0,0,0]=2 2370 B9R0.14 CCN(CCO)CC(C)C 269982a_100000738554_100000211926 [0,2,0,0,0,0|0,0,0]=2 2371 B9R0.14 CCN(CCO)CC(C)C 269982a_100015185251_100000204670 [0,2,0,0,0,0|0,0,0]=2 2372 B9R0.14 CCN(CCO)CC(C)C 270004a_100000210973_100000210432 [0,2,0,0,0,0|0,0,0]=2 2373 B9R0.14 CCN(CCO)CC(C)O 2230a_100000210973_100011218427 [0,2,0,0,0,0|0,0,0]=2 2374 B9R0.14 CCN(CCO)CC(C)O 2230a_100000731851_100000210202 [0,2,0,0,0,0|0,0,0]=2 2375 B9R0.14 CCN(CCO)CC(C)O 269982a_100000210973_100011218427 [0,2,0,0,0,0|0,0,0]=2 2376 B9R0.14 CCN(CCO)CC(C)O 269982a_100000731851_100000204670 [0,2,0,0,0,0|0,0,0]=2 2377 B9R0.14 CCN(CCO)CC(F)F 2230a_100000210973_100011934356 [0,2,0,0,0,0|0,0,0]=2 2378 B9R0.14 CCN(CCO)CC(F)F 269982a_100000210973_100011934356 [0,2,0,0,0,0|0,0,0]=2 2379 B9R0.14 CCN(CCO)C[C@@H](C)O 2230a_100000210973_100009817552 [0,2,0,0,0,0|0,0,0]=2 2380 B9R0.14 CCN(CCO)C[C@@H](C)O 269982a_100000210973_100009817552 [0,2,0,0,0,0|0,0,0]=2 2381 B9R0.14 CCN(CCO)C[C@H](C)O 2230a_100000729506_100000211926 [0,2,0,0,0,0|0,0,0]=2 2382 B9R0.14 CCN(CCO)C[C@H](C)O 269982a_100000729506_100000211926 [0,2,0,0,0,0|0,0,0]=2 2383 B9R0.14 CCN(CCO)C[N+](=O)[O-] 269982a_100000210973_100000761209 [0,2,0,0,0,0|1,0,0]=3 2384 B9R0.14 CCN(COC)CC(=O)O 269956a_100000746405_100000766300 [0,2,0,0,0,0|0,0,1]=3 2385 B9R0.14 CCN(COC)CC(C)C 2230a_100000738554_100000766300 [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.14 CCN(COC)CC(C)C 269982a_100000738554_100000766300 [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.14 CCN(COC)C[C@H](C)O 2230a_100000729506_100000766300 [0,2,0,0,0,0|0,0,0]=2 2388 B9R0.14 CCN(COC)C[C@H](C)O 269982a_100000729506_100000766300 [0,2,0,0,0,0|0,0,0]=2 2389 B9R0.14 CCN(CSC)CC(=O)O 269956a_100000746405_100011218213 [0,2,0,0,0,0|0,0,1]=3 2390 B9R0.14 CCN(CSC)CC(C)C 2230a_100000738554_100011218213 [0,2,0,0,0,0|1,0,0]=3 2391 B9R0.14 CCN(CSC)CC(C)C 269982a_100000738554_100011218213 [0,2,0,0,0,0|1,0,0]=3 2392 B9R0.14 CCN(CSC)C[C@H](C)O 2230a_100000729506_100011218213 [0,2,0,0,0,0|0,0,0]=2 2393 B9R0.14 CCN(CSC)C[C@H](C)O 269982a_100000729506_100011218213 [0,2,0,0,0,0|0,0,0]=2 2394 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [0,2,0,0,0,0|1,0,1]=4 2395 B9R0.14 CN[C@H](CCO)CC(C)C 2230a_100161151251_200000210301 [0,2,0,0,0,0|2,0,0]=4 2396 B9R0.14 O=C(O)CN(CF)CCO 269956a_100000747938_100015361967 [0,2,0,0,0,0|1,0,1]=4 2397 B9R0.14 O=C([O-])CN(CO)CCO 269956a_100016989150_100000211926 [0,2,0,0,0,0|1,0,1]=4 2398 B9R0.41 CCC(CC)C(=O)C(O)O 1458a_100000233687_100000210505 [0,2,0,0,0,0|1,0,1]=4 2399 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,2,0,0,0,0|1,0,1]=4 2400 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,2,0,0,0,0|1,0,1]=4 2401 B9R0.41 CCN(CC)C(=O)C(C)C 11a_100000724800_100000210198 [0,2,0,0,0,0|1,0,1]=4 2402 B9R0.41 CCN(CC)C(=O)C(C)C 1626a_100000724800_100000210198 [0,2,0,0,0,0|1,0,1]=4 2403 B9R0.41 CCN(CC)C(=O)C(C)C 240690a_100000724800_100000210198 [0,2,0,0,0,0|1,0,1]=4 2404 B9R0.41 CCN(CC)C(=O)C(C)C 527a_100000724800_100000210198 [0,2,0,0,0,0|1,0,1]=4 2405 B9R0.41 CCN(CC)C(=O)C(C)F 11a_100000724800_100000062450 [0,2,0,0,0,0|1,0,1]=4 2406 B9R0.41 CCN(CC)C(=O)C(C)F 1626a_100000724800_100000062450 [0,2,0,0,0,0|1,0,1]=4 2407 B9R0.41 CCN(CC)C(=O)C(C)F 240690a_100000724800_100000062450 [0,2,0,0,0,0|1,0,1]=4 2408 B9R0.41 CCN(CC)C(=O)C(C)F 527a_100000724800_100000062450 [0,2,0,0,0,0|1,0,1]=4 2409 B9R0.41 CCN(CC)C(=O)C(F)F 11a_100000724800_100000210393 [0,2,0,0,0,0|1,0,1]=4 2410 B9R0.41 CCN(CC)C(=O)C(F)F 1626a_100000724800_100000210393 [0,2,0,0,0,0|1,0,1]=4 2411 B9R0.41 CCN(CC)C(=O)C(F)F 240690a_100000724800_100000210393 [0,2,0,0,0,0|1,0,1]=4 2412 B9R0.41 CCN(CC)C(=O)C(F)F 527a_100000724800_100000210393 [0,2,0,0,0,0|1,0,1]=4 2413 B9R0.41 CCN(CC)C(=O)C(O)O 240690a_100000724800_100000233687 [0,2,0,0,0,0|0,0,1]=3 2414 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,2,0,0,0,0|0,0,1]=3 2415 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,2,0,0,0,0|0,0,1]=3 2416 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,2,0,0,0,0|0,0,1]=3 2417 B9R0.41 CCN(CC)C(C)C(=O)C 2230a_100000724800_100009814033 [0,2,0,0,0,0|0,0,2]=4 2418 B9R0.41 CCN(CC)C(C)C(=O)C 269956a_100000042499_100009814033 [0,2,0,0,0,0|0,0,2]=4 2419 B9R0.41 CCN(CC)C(C)C(=O)C 269982a_100000724800_100009814033 [0,2,0,0,0,0|0,0,2]=4 2420 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [0,2,0,0,0,0|0,0,2]=4 2421 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [0,2,0,0,0,0|0,0,2]=4 2422 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [0,2,0,0,0,0|0,0,2]=4 2423 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [0,2,0,0,0,0|0,0,2]=4 2424 B9R0.41 CCN(CC)C(C)C(C)C 2230a_100000746363_100000210202 [0,2,0,0,0,0|1,0,0]=3 2425 B9R0.41 CCN(CC)C(C)C(C)C 269982a_100000746363_100000204670 [0,2,0,0,0,0|1,0,0]=3 2426 B9R0.41 CCN(CC)C(F)C(=O)N 2230a_100000724800_100009813875 [0,2,0,0,0,0|0,0,2]=4 2427 B9R0.41 CCN(CC)C(F)C(=O)N 269982a_100000724800_100009813875 [0,2,0,0,0,0|0,0,2]=4 2428 B9R0.41 CCN(CF)C(C)C(C)C 269982a_100000746363_100015361967 [0,2,0,0,0,0|2,0,0]=4 2429 B9R0.52 CCN(CC)CC(C)(C)C 2230a_100000732750_100000210202 [0,2,0,0,0,0|1,0,0]=3 2430 B9R0.52 CCN(CC)CC(C)(C)C 269956a_100000042499_100011219605 [0,2,0,0,0,0|1,0,0]=3 2431 B9R0.52 CCN(CC)CC(C)(C)C 269982a_100000732750_100000204670 [0,2,0,0,0,0|1,0,0]=3 2432 B9R0.52 CCN(CC)CC(C)(C)C 270004a_100000724800_100011204126 [0,2,0,0,0,0|1,0,0]=3 2433 B9R0.52 CCN(CC)CC(C)(C)F 269956a_100000042499_100011997219 [0,2,0,0,0,0|1,0,0]=3 2434 B9R0.52 CCN(CC)CC(C)(C)O 2230a_100000755687_100000210202 [0,2,0,0,0,0|0,0,0]=2 2435 B9R0.52 CCN(CC)CC(C)(C)O 269956a_100000042499_100000764493 [0,2,0,0,0,0|0,0,0]=2 2436 B9R0.52 CCN(CC)CC(C)(C)O 269982a_100000755687_100000204670 [0,2,0,0,0,0|0,0,0]=2 2437 B9R0.52 CCN(CC)CC(F)(F)F 2230a_100000724800_100000763148 [0,2,0,0,0,0|1,0,0]=3 2438 B9R0.52 CCN(CC)CC(F)(F)F 269956a_100000042499_100000763148 [0,2,0,0,0,0|1,0,0]=3 2439 B9R0.52 CCN(CC)CS(=O)(=O)N 269956a_100000042499_100000741382 [0,2,0,0,0,0|1,0,1]=4 2440 B9R0.52 CCN(CC)CS(=O)(=O)[O-] 269956a_100000042499_100009817235 [0,2,0,0,0,0|1,0,1]=4 2441 B9R0.52 CCN(CC)C[N+](C)(C)C 269956a_100000042499_200000036245 [0,2,0,0,0,0|2,0,0]=4 2442 B9R0.52 CCN(CC)C[N+](C)(C)C 269982a_100000724800_200000036245 [0,2,0,0,0,0|2,0,0]=4 2443 B9R0.52 CCN(CC)C[Si](C)(C)C 2230a_100000724800_100000037933 [0,2,0,0,0,0|1,1,0]=4 2444 B9R0.52 CCN(CC)C[Si](C)(C)C 269956a_100000042499_100000037933 [0,2,0,0,0,0|1,1,0]=4 2445 B9R0.52 CCN(CF)CC(C)(C)C 269982a_100000732750_100015361967 [0,2,0,0,0,0|2,0,0]=4 2446 B9R0.52 CCN(CF)CC(C)(C)O 269982a_100000755687_100015361967 [0,2,0,0,0,0|1,0,0]=3 2447 B9R0.36 CCC(CC)C(CC)OC 34a_200011216187_200000210301 [0,2,0,0,0,0|2,0,0]=4 2448 B9R0.36 CCC(CC)C(CC)OC 7a_200011216187_200000210301 [0,2,0,0,0,0|2,0,0]=4 2449 B9R0.36 CCC(CC)C(CC)O[13CH3] 34a_200011216187_200025704644 [0,2,0,0,0,0|2,0,0]=4 2450 B9R0.36 CCC(CC)C(CC)O[13CH3] 7a_200011216187_200025704644 [0,2,0,0,0,0|2,0,0]=4 2451 B9R0.36 CCC(CC)N(CC)CC 2230a_100000732065_100000210202 [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.36 CCC(CC)N(CC)CC 269956a_100000042499_100000210505 [0,2,0,0,0,0|1,0,0]=3 2453 B9R0.36 CCC(CC)N(CC)CC 269982a_100000724800_100000210505 [0,2,0,0,0,0|1,0,0]=3 2454 B9R0.36 CCC(CC)N(CC)CC 269982a_100000732065_100000204670 [0,2,0,0,0,0|1,0,0]=3 2455 B9R0.36 CCC(CC)N(CC)CC 270004a_100000724800_100000210860 [0,2,0,0,0,0|1,0,0]=3 2456 B9R0.36 CCC(CC)N(CC)CF 269982a_100000732065_100015361967 [0,2,0,0,0,0|2,0,0]=4 2457 B9R0.36 CCN(CC)C(C=O)C=O 2230a_100000724800_100000736813 [0,2,0,0,0,0|0,0,2]=4 2458 B9R0.36 CCN(CC)C(C=O)C=O 269956a_100000042499_100011218033 [0,2,0,0,0,0|0,0,2]=4 2459 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [0,2,0,0,0,0|1,0,1]=4 2460 B9R0.71 C#CC(C)(C)N(CC)CC 269956a_100000042499_100000038118 [0,2,0,0,0,0|1,0,1]=4 2461 B9R0.71 C=CC(F)(F)N(CC)CC 269956a_100000042499_100009814244 [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.71 C=CC(F)(F)N(CC)CC 269982a_100000724800_100009814244 [0,2,0,0,0,0|1,0,1]=4 2463 B9R0.71 CCN(CC)C(C)(C)C#N 269982a_100000724800_100011162410 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.71 CCN(CC)C(C)(C)CC 269956a_100000042499_100000032637 [0,2,0,0,0,0|1,0,0]=3 2465 B9R0.71 CCN(CC)C(C)(C)CC 269982a_100000724800_100000032637 [0,2,0,0,0,0|1,0,0]=3 2466 B9R0.71 CCN(CC)C(C)(C)CO 269982a_100000747347_100000204670 [0,2,0,0,0,0|0,0,0]=2 2467 B9R0.71 CCN(CC)C(F)(F)CO 269956a_100000042499_100011217949 [0,2,0,0,0,0|0,0,0]=2 2468 B9R0.71 CCN(CC)S(=O)(=O)CC 270084a_100000724800_100000211323 [0,2,0,0,0,0|2,0,0]=4 2469 B9R0.71 CCN(CC)S(=O)(=O)CC 274078a_100000724800_100000211323 [0,2,0,0,0,0|2,0,0]=4 2470 B9R0.71 CCN(CC)S(=O)(=O)CC 40a_100000724800_100000053943 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.71 CCN(CC)S(=O)(=O)CCl 270084a_100000724800_100000031410 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.71 CCN(CC)S(=O)(=O)CCl 274078a_100000724800_100000031410 [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.71 CCN(CF)C(C)(C)CO 269982a_100000747347_100015361967 [0,2,0,0,0,0|1,0,0]=3 2474 B9R0.17 C#CCN(CC#C)CCO 2230a_100000765449_100000211926 [0,2,0,0,0,0|0,0,2]=4 2475 B9R0.17 C#CCN(CC#C)CCO 34a_100000765449_100000211926 [0,2,0,0,0,0|0,0,2]=4 2476 B9R0.17 C#CCN(CC=C)CCO 2230a_100000731024_100000211926 [0,2,0,0,0,0|0,0,2]=4 2477 B9R0.17 C#CCN(CC=C)CCO 34a_100000731024_100000211926 [0,2,0,0,0,0|0,0,2]=4 2478 B9R0.17 C#CCN(CCC)CCC 2230a_100000210455_100000038162 [0,2,0,0,0,0|1,0,1]=4 2479 B9R0.17 C#CCN(CCC)CCO 2230a_100000211420_100000038162 [0,2,0,0,0,0|0,0,1]=3 2480 B9R0.17 C#CCN(CCO)CCO 2230a_100000210587_100000038162 [0,2,0,0,0,0|0,0,1]=3 2481 B9R0.17 C=CCN(CC=C)CCO 2230a_100000210471_100000211926 [0,2,0,0,0,0|0,0,2]=4 2482 B9R0.17 C=CCN(CC=C)CCO 269982a_100000210471_100000211926 [0,2,0,0,0,0|0,0,2]=4 2483 B9R0.17 C=CCN(CCC)CCC 2230a_100000210455_100000210623 [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.17 C=CCN(CCC)CCC 269982a_100000210455_100000210623 [0,2,0,0,0,0|1,0,1]=4 2485 B9R0.17 C=CCN(CCC)CCO 2230a_100000211420_100000210623 [0,2,0,0,0,0|0,0,1]=3 2486 B9R0.17 C=CCN(CCC)CCO 269982a_100000211420_100000210623 [0,2,0,0,0,0|0,0,1]=3 2487 B9R0.17 C=CCN(CCO)CCO 2230a_100000210587_100000210623 [0,2,0,0,0,0|0,0,1]=3 2488 B9R0.17 C=CCN(CCO)CCO 269982a_100000210587_100000210623 [0,2,0,0,0,0|0,0,1]=3 2489 B9R0.17 CCCC(CCC)COC 34a_200011215456_200000210301 [0,2,0,0,0,0|2,0,0]=4 2490 B9R0.17 CCCC(CCC)COC 7a_200011215456_200000210301 [0,2,0,0,0,0|2,0,0]=4 2491 B9R0.17 CCCC(CCC)CO[13CH3] 34a_200011215456_200025704644 [0,2,0,0,0,0|2,0,0]=4 2492 B9R0.17 CCCC(CCC)CO[13CH3] 7a_200011215456_200025704644 [0,2,0,0,0,0|2,0,0]=4 2493 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [0,2,0,0,0,0|2,0,0]=4 2494 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [0,2,0,0,0,0|2,0,0]=4 2495 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [0,2,0,0,0,0|2,0,0]=4 2496 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [0,2,0,0,0,0|2,0,0]=4 2497 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [0,2,0,0,0,0|2,0,0]=4 2498 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [0,2,0,0,0,0|2,0,0]=4 2499 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [0,2,0,0,0,0|2,0,0]=4 2500 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [0,2,0,0,0,0|2,0,0]=4 2501 B9R0.17 CCCN(CC#N)CCC 2230a_100000210455_100011215382 [0,2,0,0,0,0|1,0,1]=4 2502 B9R0.17 CCCN(CC#N)CCC 269982a_100000210455_100011214920 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.17 CCCN(CC#N)CCO 2230a_100000211420_100011215382 [0,2,0,0,0,0|0,0,1]=3 2504 B9R0.17 CCCN(CC#N)CCO 269982a_100000211420_100011214920 [0,2,0,0,0,0|0,0,1]=3 2505 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [0,2,0,0,0,0|0,0,2]=4 2506 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [0,2,0,0,0,0|0,0,2]=4 2507 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [0,2,0,0,0,0|0,0,1]=3 2508 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [0,2,0,0,0,0|0,0,1]=3 2509 B9R0.17 CCCN(CCC)CCC 2230a_100000210455_100000210303 [0,2,0,0,0,0|1,0,0]=3 2510 B9R0.17 CCCN(CCC)CCC 269982a_100000210455_100000210303 [0,2,0,0,0,0|1,0,0]=3 2511 B9R0.17 CCCN(CCC)CCF 2230a_100000210455_100011217306 [0,2,0,0,0,0|1,0,0]=3 2512 B9R0.17 CCCN(CCC)CCF 269982a_100000210455_100011217306 [0,2,0,0,0,0|1,0,0]=3 2513 B9R0.17 CCCN(CCC)CCO 2230a_100000210455_100000211926 [0,2,0,0,0,0|0,0,0]=2 2514 B9R0.17 CCCN(CCC)CCO 2230a_100000211420_100000210303 [0,2,0,0,0,0|0,0,0]=2 2515 B9R0.17 CCCN(CCC)CCO 269982a_100000210455_100000211926 [0,2,0,0,0,0|0,0,0]=2 2516 B9R0.17 CCCN(CCC)CCO 269982a_100000211420_100000210303 [0,2,0,0,0,0|0,0,0]=2 2517 B9R0.17 CCCN(CCC)COC 2230a_100000210455_100000766300 [0,2,0,0,0,0|1,0,0]=3 2518 B9R0.17 CCCN(CCC)COC 269982a_100000210455_100000766300 [0,2,0,0,0,0|1,0,0]=3 2519 B9R0.17 CCCN(CCC)CSC 2230a_100000210455_100011218213 [0,2,0,0,0,0|1,0,0]=3 2520 B9R0.17 CCCN(CCC)CSC 269982a_100000210455_100011218213 [0,2,0,0,0,0|1,0,0]=3 2521 B9R0.17 CCCN(CCO)CCF 2230a_100000211420_100011217306 [0,2,0,0,0,0|0,0,0]=2 2522 B9R0.17 CCCN(CCO)CCF 269982a_100000211420_100011217306 [0,2,0,0,0,0|0,0,0]=2 2523 B9R0.17 CCCN(CCO)CCO 2230a_100000210587_100000210303 [0,2,0,0,0,0|0,0,0]=2 2524 B9R0.17 CCCN(CCO)CCO 2230a_100000211420_100000211926 [0,2,0,0,0,0|0,0,0]=2 2525 B9R0.17 CCCN(CCO)CCO 269982a_100000210587_100000210303 [0,2,0,0,0,0|0,0,0]=2 2526 B9R0.17 CCCN(CCO)CCO 269982a_100000211420_100000211926 [0,2,0,0,0,0|0,0,0]=2 2527 B9R0.17 CCCN(CCO)COC 2230a_100000211420_100000766300 [0,2,0,0,0,0|0,0,0]=2 2528 B9R0.17 CCCN(CCO)COC 269982a_100000211420_100000766300 [0,2,0,0,0,0|0,0,0]=2 2529 B9R0.17 CCCN(CCO)CSC 2230a_100000211420_100011218213 [0,2,0,0,0,0|0,0,0]=2 2530 B9R0.17 CCCN(CCO)CSC 269982a_100000211420_100011218213 [0,2,0,0,0,0|0,0,0]=2 2531 B9R0.17 CCC[C@@H](CCO)NCC 2230a_100015193777_100000210202 [0,2,0,0,0,0|1,0,0]=3 2532 B9R0.17 CCC[C@@H](CCO)NCC 34a_100015193777_100000210202 [0,2,0,0,0,0|1,0,0]=3 2533 B9R0.17 CCC[C@@H](CCO)NCF 34a_100015193777_100015361967 [0,2,0,0,0,0|2,0,0]=4 2534 B9R0.17 COCN(CCO)CCO 2230a_100000210587_100000766300 [0,2,0,0,0,0|0,0,0]=2 2535 B9R0.17 COCN(CCO)CCO 269982a_100000210587_100000766300 [0,2,0,0,0,0|0,0,0]=2 2536 B9R0.17 CSCN(CCO)CCO 2230a_100000210587_100011218213 [0,2,0,0,0,0|0,0,0]=2 2537 B9R0.17 CSCN(CCO)CCO 269982a_100000210587_100011218213 [0,2,0,0,0,0|0,0,0]=2 2538 B9R0.17 N#CCN(CCO)CCO 2230a_100000210587_100011215382 [0,2,0,0,0,0|0,0,1]=3 2539 B9R0.17 N#CCN(CCO)CCO 269982a_100000210587_100011214920 [0,2,0,0,0,0|0,0,1]=3 2540 B9R0.17 O=CCN(CCO)CCO 2230a_100000210587_200015260668 [0,2,0,0,0,0|0,0,1]=3 2541 B9R0.17 O=CCN(CCO)CCO 269982a_100000210587_200015260668 [0,2,0,0,0,0|0,0,1]=3 2542 B9R0.17 OCCN(CCO)CCF 2230a_100000210587_100011217306 [0,2,0,0,0,0|0,0,0]=2 2543 B9R0.17 OCCN(CCO)CCF 269982a_100000210587_100011217306 [0,2,0,0,0,0|0,0,0]=2 2544 B9R0.17 OCCN(CCO)CCO 2230a_100000210587_100000211926 [0,2,0,0,0,0|0,0,0]=2 2545 B9R0.17 OCCN(CCO)CCO 269982a_100000210587_100000211926 [0,2,0,0,0,0|0,0,0]=2 2546 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.59 CCCC(C)(CC)SCC 62a_100000210202_200000040151 [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.59 CCCC(C)(CC)SCC 62a_200000040151_100000210202 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.62 CCCC(CC)(CC)OC 7a_200011217480_200000210301 [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.62 CCCC(CC)(CC)O[13CH3] 7a_200011217480_200025704644 [0,2,0,0,0,0|2,0,0]=4 2551 B7R1.1 CCN1CC=CC1 269982a_100015195280_100000204670 [1,0,0,1,0,0|1,0,1]=4 2552 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|1,0,0]=3 2553 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|1,0,0]=3 2554 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [1,0,0,1,0,0|0,1,0]=3 2555 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [1,0,0,1,0,0|0,1,0]=3 2556 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 2557 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,1,0,0|2,0,0]=4 2558 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,1,0,0|2,0,0]=4 2559 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 2560 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,1,0,0|2,0,0]=4 2561 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 2562 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 2563 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,1,0,0|2,0,0]=4 2564 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,1,0,0|2,0,0]=4 2565 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,1,0,0|2,0,0]=4 2566 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [1,0,0,1,0,0|2,0,0]=4 2567 B7R1.1 FCN1CCSC1 269982a_100011215254_100015361967 [1,0,0,1,0,0|1,1,0]=4 2568 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,1,0,0|2,0,0]=4 2569 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 2570 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 2571 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,1,0,0|2,0,0]=4 2572 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,1,0,0|2,0,0]=4 2573 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|0,0,0]=2 2574 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|0,0,0]=2 2575 B7R1.2 CN1CC[C@@H](C1)F 2230a_100015203821_200000210301 [1,0,0,1,0,0|1,0,0]=3 2576 B7R1.2 CN1CC[C@@H](C1)F 269982a_100015203821_200000210301 [1,0,0,1,0,0|1,0,0]=3 2577 B7R1.2 CN1CC[C@@H](C1)F 34a_100015203821_200000210301 [1,0,0,1,0,0|1,0,0]=3 2578 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|1,0,0]=3 2579 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|1,0,0]=3 2580 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|1,0,0]=3 2581 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|1,0,0]=3 2582 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|1,0,0]=3 2583 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|1,0,0]=3 2584 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|0,0,0]=2 2585 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|0,0,0]=2 2586 B7R1.2 [13CH3]N1CC[C@@H](C1)F 2230a_100015203821_200025704644 [1,0,0,1,0,0|1,0,0]=3 2587 B7R1.2 [13CH3]N1CC[C@@H](C1)F 269982a_100015203821_200025704644 [1,0,0,1,0,0|1,0,0]=3 2588 B7R1.2 [13CH3]N1CC[C@@H](C1)F 34a_100015203821_200025704644 [1,0,0,1,0,0|1,0,0]=3 2589 B7R1.3 CN1CC=CCC1 2230a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 2590 B7R1.3 CN1CC=CCC1 269982a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 2591 B7R1.3 CN1CC=CCC1 34a_100000698166_200000210301 [1,0,0,1,0,0|1,0,1]=4 2592 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 2593 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 2594 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|2,0,0]=4 2595 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,1,0,0|0,0,0]=2 2596 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,1,0,0|0,0,0]=2 2597 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,1,0,0|0,0,0]=2 2598 B7R1.3 CN1CCSCC1 2230a_100000737611_200000210301 [1,0,0,1,0,0|0,1,0]=3 2599 B7R1.3 CN1CCSCC1 269982a_100000737611_200000210301 [1,0,0,1,0,0|0,1,0]=3 2600 B7R1.3 [13CH3]N1CC=CCC1 2230a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 2601 B7R1.3 [13CH3]N1CC=CCC1 269982a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 2602 B7R1.3 [13CH3]N1CC=CCC1 34a_100000698166_200025704644 [1,0,0,1,0,0|1,0,1]=4 2603 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 2604 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 2605 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|2,0,0]=4 2606 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,1,0,0|0,0,0]=2 2607 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,1,0,0|0,0,0]=2 2608 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,1,0,0|0,0,0]=2 2609 B7R1.3 [13CH3]N1CCSCC1 2230a_100000737611_200025704644 [1,0,0,1,0,0|0,1,0]=3 2610 B7R1.3 [13CH3]N1CCSCC1 269982a_100000737611_200025704644 [1,0,0,1,0,0|0,1,0]=3 2611 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [1,0,0,1,0,0|0,1,0]=3 2612 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [1,0,0,1,0,0|0,1,0]=3 2613 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [1,0,0,1,0,0|0,1,0]=3 2614 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [1,0,0,1,0,0|0,1,0]=3 2615 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [1,0,0,1,0,0|0,1,0]=3 2616 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [1,0,0,1,0,0|0,1,0]=3 2617 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 2618 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 2619 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|1,0,0]=3 2620 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 2621 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 2622 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|1,0,0]=3 2623 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|1,0,0]=3 2624 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|1,0,0]=3 2625 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|1,0,0]=3 2626 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|1,0,0]=3 2627 B7R1.6 C=CCN1CCC1 269982a_100000754969_100000210623 [1,0,0,1,0,0|1,0,1]=4 2628 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|1,0,0]=3 2629 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [1,0,0,1,0,0|2,0,0]=4 2630 B7R1.6 CSCN1CCC1 269982a_100000754969_100011218213 [1,0,0,1,0,0|2,0,0]=4 2631 B7R1.6 FCCN1CCC1 269982a_100000754969_100011217306 [1,0,0,1,0,0|1,0,0]=3 2632 B7R1.6 N#CCN1CCC1 269982a_100000754969_100011214920 [1,0,0,1,0,0|1,0,1]=4 2633 B7R1.6 O=CCN1CCC1 269982a_100000754969_200015260668 [1,0,0,1,0,0|0,0,2]=4 2634 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|0,0,0]=2 2635 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [1,0,0,1,0,0|2,0,0]=4 2636 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [1,0,0,1,0,0|2,0,0]=4 2637 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|1,0,0]=3 2638 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|1,0,0]=3 2639 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|1,0,0]=3 2640 B7R1.10 CCN1CC(C1)F 2230a_100000690557_100000210202 [1,0,0,1,0,0|1,0,0]=3 2641 B7R1.10 CCN1CC(C1)F 269982a_100000690557_100000204670 [1,0,0,1,0,0|1,0,0]=3 2642 B7R1.10 CCN1CC(C1)F 34a_100000690557_100000210202 [1,0,0,1,0,0|1,0,0]=3 2643 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [1,0,0,1,0,0|0,0,0]=2 2644 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [1,0,0,1,0,0|2,0,0]=4 2645 B7R1.10 FCN1CC(C1)F 269982a_100000690557_100015361967 [1,0,0,1,0,0|2,0,0]=4 2646 B7R1.10 FCN1CC(C1)F 34a_100000690557_100015361967 [1,0,0,1,0,0|2,0,0]=4 2647 B7R1.10 OC1CN(C1)CF 269982a_100000749847_100015361967 [1,0,0,1,0,0|1,0,0]=3 2648 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [1,0,0,1,0,0|2,0,0]=4 2649 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [1,0,0,1,0,0|0,0,0]=2 2650 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [1,0,0,1,0,0|0,0,0]=2 2651 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [1,0,0,1,0,0|0,0,0]=2 2652 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [1,0,0,1,0,0|0,0,0]=2 2653 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|2,0,0]=4 2654 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [1,0,0,1,0,0|1,0,0]=3 2655 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [1,0,0,1,0,0|1,0,0]=3 2656 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [1,0,0,1,0,0|1,0,0]=3 2657 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [1,0,0,1,0,0|1,0,0]=3 2658 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [1,0,0,1,0,0|1,0,0]=3 2659 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [1,0,0,1,0,0|1,0,0]=3 2660 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [1,0,0,1,0,0|1,0,0]=3 2661 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [1,0,0,1,0,0|2,0,0]=4 2662 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [1,0,0,1,0,0|2,0,0]=4 2663 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [1,0,0,1,0,0|2,0,0]=4 2664 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [1,0,0,1,0,0|2,0,0]=4 2665 B9R1.1 C=C1CCN(CC1)CC 2230a_100000752442_100000210202 [0,1,0,1,0,0|1,0,0]=3 2666 B9R1.1 C=C1CCN(CC1)CC 269982a_100000752442_100000204670 [0,1,0,1,0,0|1,0,0]=3 2667 B9R1.1 C=C1CCN(CC1)CC 34a_100000752442_100000210202 [0,1,0,1,0,0|1,0,0]=3 2668 B9R1.1 C=C1CCN(CC1)CF 269982a_100000752442_100015361967 [0,1,0,1,0,0|2,0,0]=4 2669 B9R1.1 C=C1CCN(CC1)CF 34a_100000752442_100015361967 [0,1,0,1,0,0|2,0,0]=4 2670 B9R1.1 CC1CCN(CC1)CF 269982a_100000188429_100015361967 [0,1,0,1,0,0|2,0,0]=4 2671 B9R1.1 CC1CCN(CC1)CF 34a_100000188429_100015361967 [0,1,0,1,0,0|2,0,0]=4 2672 B9R1.1 CCC1CCN(CC1)C 2230a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2673 B9R1.1 CCC1CCN(CC1)C 269982a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2674 B9R1.1 CCC1CCN(CC1)C 34a_100000754474_200000210301 [0,1,0,1,0,0|2,0,0]=4 2675 B9R1.1 CCC1CCN(CC1)[13CH3] 2230a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2676 B9R1.1 CCC1CCN(CC1)[13CH3] 269982a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2677 B9R1.1 CCC1CCN(CC1)[13CH3] 34a_100000754474_200025704644 [0,1,0,1,0,0|2,0,0]=4 2678 B9R1.1 CCN1CC=C(CC1)C 2230a_100000693516_100000210202 [0,1,0,1,0,0|1,0,1]=4 2679 B9R1.1 CCN1CC=C(CC1)C 269982a_100000693516_100000204670 [0,1,0,1,0,0|1,0,1]=4 2680 B9R1.1 CCN1CC=C(CC1)C 34a_100000693516_100000210202 [0,1,0,1,0,0|1,0,1]=4 2681 B9R1.1 CCN1CCC(CC1)C 2230a_100000188429_100000210202 [0,1,0,1,0,0|1,0,0]=3 2682 B9R1.1 CCN1CCC(CC1)C 269982a_100000188429_100000204670 [0,1,0,1,0,0|1,0,0]=3 2683 B9R1.1 CCN1CCC(CC1)C 34a_100000188429_100000210202 [0,1,0,1,0,0|1,0,0]=3 2684 B9R1.1 CCN1CCC(CC1)F 2230a_100015193889_100000210202 [0,1,0,1,0,0|1,0,0]=3 2685 B9R1.1 CCN1CCC(CC1)F 269982a_100015193889_100000204670 [0,1,0,1,0,0|1,0,0]=3 2686 B9R1.1 CCN1CCC(CC1)F 34a_100015193889_100000210202 [0,1,0,1,0,0|1,0,0]=3 2687 B9R1.1 CCN1CCC(CC1)O 2230a_100025773856_100000210202 [0,1,0,1,0,0|0,0,0]=2 2688 B9R1.1 CCN1CCC(CC1)O 269982a_100025773856_100000204670 [0,1,0,1,0,0|0,0,0]=2 2689 B9R1.1 CCN1CCN(CC1)C 2230a_100000188432_100000210202 [0,1,0,1,0,0|1,0,0]=3 2690 B9R1.1 CCN1CCN(CC1)C 2230a_100000210033_200000210301 [0,1,0,1,0,0|1,0,0]=3 2691 B9R1.1 CCN1CCN(CC1)C 269982a_100000188432_100000204670 [0,1,0,1,0,0|1,0,0]=3 2692 B9R1.1 CCN1CCN(CC1)C 269982a_100000210033_200000210301 [0,1,0,1,0,0|1,0,0]=3 2693 B9R1.1 CCN1CCN(CC1)[13CH3] 2230a_100000210033_200025704644 [0,1,0,1,0,0|1,0,0]=3 2694 B9R1.1 CCN1CCN(CC1)[13CH3] 269982a_100000210033_200025704644 [0,1,0,1,0,0|1,0,0]=3 2695 B9R1.1 CCN1CCS(=O)CC1 2230a_100000752083_100000210202 [0,1,0,1,0,0|0,0,1]=3 2696 B9R1.1 CCN1CCS(=O)CC1 269982a_100000752083_100000204670 [0,1,0,1,0,0|0,0,1]=3 2697 B9R1.1 CN1CCN(CC1)CF 269982a_100000188432_100015361967 [0,1,0,1,0,0|2,0,0]=4 2698 B9R1.1 CNC1CCC(CC1)O 270004a_106832991635_100000764474 [0,1,0,1,0,0|2,0,0]=4 2699 B9R1.1 FCN1CCC(CC1)F 269982a_100015193889_100015361967 [0,1,0,1,0,0|2,0,0]=4 2700 B9R1.1 FCN1CCC(CC1)F 34a_100015193889_100015361967 [0,1,0,1,0,0|2,0,0]=4 2701 B9R1.1 O=S1CCN(CC1)CF 269982a_100000752083_100015361967 [0,1,0,1,0,0|1,0,1]=4 2702 B9R1.1 OC1CCN(CC1)CF 269982a_100025773856_100015361967 [0,1,0,1,0,0|1,0,0]=3 2703 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,1,0,1,0,0|0,0,0]=2 2704 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,1,0,1,0,0|0,0,0]=2 2705 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,1,0,1,0,0|0,0,0]=2 2706 B9R1.4 COCC1CCN1CF 269982a_100015195929_100015361967 [0,1,0,1,0,0|1,0,0]=3 2707 B9R1.4 COCC1CCN1CF 34a_100015195929_100015361967 [0,1,0,1,0,0|1,0,0]=3 2708 B9R1.12 BrCCOC1CCCC1 34a_100000211926_100000179811 [0,1,0,1,0,0|2,0,0]=4 2709 B9R1.12 C#CCCN1CCCC1 2230a_100000188435_100000688953 [0,1,0,1,0,0|1,0,0]=3 2710 B9R1.12 C#CCCN1CCCC1 269982a_100000188435_100000730999 [0,1,0,1,0,0|1,0,0]=3 2711 B9R1.12 C#CCCN1CCSC1 2230a_100011215254_100000688953 [0,1,0,1,0,0|2,0,0]=4 2712 B9R1.12 C#CCCN1CCSC1 269982a_100011215254_100000730999 [0,1,0,1,0,0|2,0,0]=4 2713 B9R1.12 C/C=C/CN1CCCC1 269982a_100000188435_100102629194 [0,1,0,1,0,0|1,0,1]=4 2714 B9R1.12 C=CCCN1CCCC1 2230a_100000188435_100000754431 [0,1,0,1,0,0|1,0,0]=3 2715 B9R1.12 C=CCCN1CCCC1 269982a_100000188435_100000754431 [0,1,0,1,0,0|1,0,0]=3 2716 B9R1.12 C=CCCN1CCSC1 2230a_100011215254_100000754431 [0,1,0,1,0,0|2,0,0]=4 2717 B9R1.12 C=CCCN1CCSC1 269982a_100011215254_100000754431 [0,1,0,1,0,0|2,0,0]=4 2718 B9R1.12 CC#CCN1CCCC1 2230a_100000188435_100000748600 [0,1,0,1,0,0|1,0,1]=4 2719 B9R1.12 CC=CCN1CCCC1 2230a_100000188435_100000070051 [0,1,0,1,0,0|1,0,1]=4 2720 B9R1.12 CCCCN1CCCC1 2230a_100000188435_100000210211 [0,1,0,1,0,0|1,0,0]=3 2721 B9R1.12 CCCCN1CCCC1 269982a_100000188435_100000210211 [0,1,0,1,0,0|1,0,0]=3 2722 B9R1.12 CCCCN1CCSC1 2230a_100011215254_100000210211 [0,1,0,1,0,0|2,0,0]=4 2723 B9R1.12 CCCCN1CCSC1 269982a_100011215254_100000210211 [0,1,0,1,0,0|2,0,0]=4 2724 B9R1.12 CCCNC1CCCC1 2230a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 2725 B9R1.12 CCCNC1CCCC1 270004a_100020643023_100000210133 [0,1,0,1,0,0|2,0,0]=4 2726 B9R1.12 CCCNC1CCCC1 34a_100000211070_100000210303 [0,1,0,1,0,0|2,0,0]=4 2727 B9R1.12 CCCOC1CCCC1 34a_100000210258_100000179811 [0,1,0,1,0,0|2,0,0]=4 2728 B9R1.12 CCCOC1CCCC1 34a_100000210269_100000210303 [0,1,0,1,0,0|2,0,0]=4 2729 B9R1.12 CCCOC1CCCC1 7a_100000210269_100000210303 [0,1,0,1,0,0|2,0,0]=4 2730 B9R1.12 CCCSC1CCCC1 62a_100000210303_100000179811 [0,1,0,1,0,0|2,0,0]=4 2731 B9R1.12 CCCSC1CCCC1 62a_100011217020_100000210303 [0,1,0,1,0,0|2,0,0]=4 2732 B9R1.12 CCNCC1CCCC1 2230a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 2733 B9R1.12 CCNCC1CCCC1 2230a_100015525214_100000740388 [0,1,0,1,0,0|2,0,0]=4 2734 B9R1.12 CCNCC1CCCC1 269862a_100015525214_100000746403 [0,1,0,1,0,0|2,0,0]=4 2735 B9R1.12 CCNCC1CCCC1 34a_100000737975_100000210202 [0,1,0,1,0,0|2,0,0]=4 2736 B9R1.12 CCOCC1CCCC1 34a_100000742336_100000210202 [0,1,0,1,0,0|2,0,0]=4 2737 B9R1.12 CCOCC1CCCC1 34a_100121572206_100000740388 [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.12 CCOCC1CCCC1 7a_100000742336_100000210202 [0,1,0,1,0,0|2,0,0]=4 2739 B9R1.12 CCOCN1CCCC1 269982a_100000188435_100000739092 [0,1,0,1,0,0|1,0,0]=3 2740 B9R1.12 CCOCN1CCSC1 269982a_100011215254_100000739092 [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.12 CCSCC1CCCC1 62a_100000210202_100000740388 [0,1,0,1,0,0|2,0,0]=4 2742 B9R1.12 CCSCC1CCCC1 62a_100000740388_100000210202 [0,1,0,1,0,0|2,0,0]=4 2743 B9R1.12 CNCCC1CCCC1 2230a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 2744 B9R1.12 CNCCC1CCCC1 2230a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 2745 B9R1.12 CNCCC1CCCC1 34a_100000739158_200000210301 [0,1,0,1,0,0|2,0,0]=4 2746 B9R1.12 CNCCC1CCCC1 34a_100102657272_100000760354 [0,1,0,1,0,0|2,0,0]=4 2747 B9R1.12 CNCCC1CCCC1 7a_106832991635_100000760354 [0,1,0,1,0,0|2,0,0]=4 2748 B9R1.12 CNCCN1CCCC1 7a_106832991635_100000004467 [0,1,0,1,0,0|1,0,0]=3 2749 B9R1.12 COCCC1CCCC1 34a_100000749090_200000210301 [0,1,0,1,0,0|1,0,0]=3 2750 B9R1.12 COCCC1CCCC1 34a_100138415774_100000760354 [0,1,0,1,0,0|1,0,0]=3 2751 B9R1.12 COCCC1CCCC1 7a_100000749090_200000210301 [0,1,0,1,0,0|1,0,0]=3 2752 B9R1.12 COCCC1CCNC1 34a_100016987287_200000210301 [0,1,0,1,0,0|2,0,0]=4 2753 B9R1.12 COCCC1CCOC1 34a_100011879284_200000210301 [0,1,0,1,0,0|2,0,0]=4 2754 B9R1.12 COCCN1CC=CC1 269982a_100015195280_100000233755 [0,1,0,1,0,0|0,0,2]=4 2755 B9R1.12 COCCN1CCCC1 2230a_100000188435_100011201679 [0,1,0,1,0,0|0,0,0]=2 2756 B9R1.12 COCCN1CCCC1 269982a_100000188435_100000233755 [0,1,0,1,0,0|0,0,0]=2 2757 B9R1.12 COCCN1CCSC1 2230a_100011215254_100011201679 [0,1,0,1,0,0|1,0,0]=3 2758 B9R1.12 COCCN1CCSC1 269982a_100011215254_100000233755 [0,1,0,1,0,0|1,0,0]=3 2759 B9R1.12 COCNC1CCCC1 2230a_100000211070_100000766300 [0,1,0,1,0,0|2,0,0]=4 2760 B9R1.12 COCSC1CCCC1 62a_100000766300_100000179811 [0,1,0,1,0,0|2,0,0]=4 2761 B9R1.12 COCSC1CCCC1 62a_100011217020_100000766300 [0,1,0,1,0,0|2,0,0]=4 2762 B9R1.12 CSCCC1CCCC1 62a_100000760354_200000210301 [0,1,0,1,0,0|1,1,0]=4 2763 B9R1.12 CSCCC1CCCC1 62a_200000210301_100000760354 [0,1,0,1,0,0|1,1,0]=4 2764 B9R1.12 CSCCN1CCCC1 2230a_100000188435_100000751147 [0,1,0,1,0,0|0,1,0]=3 2765 B9R1.12 CSCCN1CCCC1 269982a_100000188435_100000212216 [0,1,0,1,0,0|0,1,0]=3 2766 B9R1.12 CSCCN1CCCC1 62a_100000700749_200000210301 [0,1,0,1,0,0|0,1,0]=3 2767 B9R1.12 CSCCN1CCCC1 62a_200000210301_100000004467 [0,1,0,1,0,0|0,1,0]=3 2768 B9R1.12 CSCCN1CCSC1 2230a_100011215254_100000751147 [0,1,0,1,0,0|1,1,0]=4 2769 B9R1.12 CSCCN1CCSC1 269982a_100011215254_100000212216 [0,1,0,1,0,0|1,1,0]=4 2770 B9R1.12 FCCCN1CCCC1 2230a_100000188435_100011934791 [0,1,0,1,0,0|1,0,0]=3 2771 B9R1.12 FCCCN1CCCC1 269982a_100000188435_100011934791 [0,1,0,1,0,0|1,0,0]=3 2772 B9R1.12 FCCCN1CCSC1 2230a_100011215254_100011934791 [0,1,0,1,0,0|2,0,0]=4 2773 B9R1.12 FCCCN1CCSC1 269982a_100011215254_100011934791 [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.12 FCCNC1CCCC1 2230a_100000211070_100011217306 [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.12 FCCNC1CCCC1 34a_100000211070_100011217306 [0,1,0,1,0,0|2,0,0]=4 2776 B9R1.12 FCCNC1CCCC1 34a_100000724931_100000179811 [0,1,0,1,0,0|2,0,0]=4 2777 B9R1.12 FCCOC1CCCC1 34a_100000210269_100011217306 [0,1,0,1,0,0|2,0,0]=4 2778 B9R1.12 FCCOC1CCCC1 7a_100000210269_100011217306 [0,1,0,1,0,0|2,0,0]=4 2779 B9R1.12 FCCSC1CCCC1 62a_100011217020_100011217306 [0,1,0,1,0,0|2,0,0]=4 2780 B9R1.12 FCCSC1CCCC1 62a_100011217306_100000179811 [0,1,0,1,0,0|2,0,0]=4 2781 B9R1.12 FCNCC1CCCC1 34a_100000737975_100015361967 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.12 FCOCC1CCCC1 34a_100000742336_100015361967 [0,1,0,1,0,0|2,0,0]=4 2783 B9R1.12 FCOCC1CCCC1 7a_100000742336_100015361967 [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.12 FCSCC1CCCC1 62a_100000740388_100015361967 [0,1,0,1,0,0|2,0,0]=4 2785 B9R1.12 FCSCC1CCCC1 62a_100015361967_100000740388 [0,1,0,1,0,0|2,0,0]=4 2786 B9R1.12 N#CCCN1CCCC1 2230a_100000188435_100011215226 [0,1,0,1,0,0|1,0,0]=3 2787 B9R1.12 N#CCCN1CCCC1 269982a_100000188435_100011215226 [0,1,0,1,0,0|1,0,0]=3 2788 B9R1.12 N#CCCN1CCSC1 2230a_100011215254_100011215226 [0,1,0,1,0,0|2,0,0]=4 2789 B9R1.12 N#CCCN1CCSC1 269982a_100011215254_100011215226 [0,1,0,1,0,0|2,0,0]=4 2790 B9R1.12 N#CSCN1CCCC1 269982a_100000188435_100000211825 [0,1,0,1,0,0|1,0,1]=4 2791 B9R1.12 NCCOC1CCCC1 34a_100000210304_100000179811 [0,1,0,1,0,0|2,0,0]=4 2792 B9R1.12 OCCCN1CC=CC1 269982a_100015195280_100011215043 [0,1,0,1,0,0|0,0,2]=4 2793 B9R1.12 OCCCN1CCCC1 2230a_100000188435_100000230001 [0,1,0,1,0,0|0,0,0]=2 2794 B9R1.12 OCCCN1CCCC1 269982a_100000188435_100011215043 [0,1,0,1,0,0|0,0,0]=2 2795 B9R1.12 OCCCN1CCSC1 2230a_100011215254_100000230001 [0,1,0,1,0,0|1,0,0]=3 2796 B9R1.12 OCCCN1CCSC1 269982a_100011215254_100011215043 [0,1,0,1,0,0|1,0,0]=3 2797 B9R1.12 OCCNC1CCCC1 2230a_100000211070_100000211926 [0,1,0,1,0,0|1,0,0]=3 2798 B9R1.12 OCCNC1CCCC1 2230a_100016997473_100000179811 [0,1,0,1,0,0|1,0,0]=3 2799 B9R1.12 OCCNC1CCCC1 270004a_100000210304_100000210133 [0,1,0,1,0,0|1,0,0]=3 2800 B9R1.12 OCCNC1CCCC1 34a_100000211070_100000211926 [0,1,0,1,0,0|1,0,0]=3 2801 B9R1.12 OCCNC1CCCC1 34a_100016990907_100000179811 [0,1,0,1,0,0|1,0,0]=3 2802 B9R1.12 OCCNC1CCOC1 2230a_100016997473_100000731011 [0,1,0,1,0,0|2,0,0]=4 2803 B9R1.12 OCCNC1CCOC1 270004a_100000210304_100000752484 [0,1,0,1,0,0|2,0,0]=4 2804 B9R1.12 OCCNC1CCOC1 34a_100016990907_100000690089 [0,1,0,1,0,0|2,0,0]=4 2805 B9R1.12 OCCNC1CCSC1 270004a_100000210304_100000212027 [0,1,0,1,0,0|2,0,0]=4 2806 B9R1.12 OCCN[C@@H]1CCOC1 2230a_200015188469_100000211926 [0,1,0,1,0,0|2,0,0]=4 2807 B9R1.12 OCCN[C@H]1CCOC1 2230a_100015188467_100000211926 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.12 OCCN[C@H]1CCOC1 34a_100015188467_100000211926 [0,1,0,1,0,0|2,0,0]=4 2809 B9R1.12 OCCOC1CCCC1 34a_100000210269_100000211926 [0,1,0,1,0,0|1,0,0]=3 2810 B9R1.12 OCCOC1CCCC1 7a_100000210269_100000211926 [0,1,0,1,0,0|1,0,0]=3 2811 B9R1.12 OCCOC1CCCO1 34a_100000085407_100000211926 [0,1,0,1,0,0|2,0,0]=4 2812 B9R1.12 OCCOC1CCSC1 7a_100011232664_100000211926 [0,1,0,1,0,0|2,0,0]=4 2813 B9R1.12 OCCO[C@H]1CCOC1 34a_100000717292_100000211926 [0,1,0,1,0,0|2,0,0]=4 2814 B9R1.12 OCCSC1CCCC1 62a_100000211926_100000179811 [0,1,0,1,0,0|1,0,0]=3 2815 B9R1.12 OCCSC1CCCC1 62a_100011217020_100000211926 [0,1,0,1,0,0|1,0,0]=3 2816 B9R1.12 OCCSC1CCOC1 62a_100000211926_100000690089 [0,1,0,1,0,0|2,0,0]=4 2817 B9R1.12 [13CH3]NCCC1CCCC1 2230a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 2818 B9R1.12 [13CH3]NCCC1CCCC1 34a_100000739158_200025704644 [0,1,0,1,0,0|2,0,0]=4 2819 B9R1.12 [13CH3]OCCC1CCCC1 34a_100000749090_200025704644 [0,1,0,1,0,0|1,0,0]=3 2820 B9R1.12 [13CH3]OCCC1CCCC1 7a_100000749090_200025704644 [0,1,0,1,0,0|1,0,0]=3 2821 B9R1.12 [13CH3]OCCC1CCNC1 34a_100016987287_200025704644 [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.12 [13CH3]OCCC1CCOC1 34a_100011879284_200025704644 [0,1,0,1,0,0|2,0,0]=4 2823 B9R1.12 [13CH3]SCCC1CCCC1 62a_100000760354_200025704644 [0,1,0,1,0,0|1,1,0]=4 2824 B9R1.12 [13CH3]SCCC1CCCC1 62a_200025704644_100000760354 [0,1,0,1,0,0|1,1,0]=4 2825 B9R1.12 [13CH3]SCCN1CCCC1 62a_100000700749_200025704644 [0,1,0,1,0,0|0,1,0]=3 2826 B9R1.12 [13CH3]SCCN1CCCC1 62a_200025704644_100000004467 [0,1,0,1,0,0|0,1,0]=3 2827 B9R1.15 CC1CCCCN1CF 269982a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 2828 B9R1.15 CC1CCCCN1CF 34a_100000211376_100015361967 [0,1,0,1,0,0|2,0,0]=4 2829 B9R1.15 CCN1CCCCC1C 2230a_100000211376_100000210202 [0,1,0,1,0,0|1,0,0]=3 2830 B9R1.15 CCN1CCCCC1C 269982a_100000211376_100000204670 [0,1,0,1,0,0|1,0,0]=3 2831 B9R1.15 CCN1CCCCC1C 34a_100000211376_100000210202 [0,1,0,1,0,0|1,0,0]=3 2832 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,1,0,1,0,0|0,0,0]=2 2833 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,1,0,1,0,0|0,0,0]=2 2834 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,1,0,1,0,0|0,0,0]=2 2835 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,1,0,1,0,0|2,0,0]=4 2837 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2838 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2839 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,1,0,1,0,0|2,0,0]=4 2840 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,1,0,1,0,0|1,0,0]=3 2841 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,1,0,1,0,0|1,0,0]=3 2842 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,1,0,1,0,0|2,0,0]=4 2843 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2844 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,1,0,1,0,0|2,0,0]=4 2846 B9R1.21 CCC1CCC(C1)NC 270004a_106832991635_100011218773 [0,1,0,1,0,0|2,0,0]=4 2847 B9R1.21 CCN1CCC(C1)C#N 2230a_100016989334_100000210202 [0,1,0,1,0,0|1,0,0]=3 2848 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,1,0,1,0,0|0,0,0]=2 2849 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,1,0,1,0,0|0,0,0]=2 2850 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,1,0,1,0,0|0,0,0]=2 2851 B9R1.21 CCN1CCC(C1)NC 2230a_100015188829_200000210301 [0,1,0,1,0,0|1,0,0]=3 2852 B9R1.21 CCN1CCC(C1)NC 7a_106832991635_200011861547 [0,1,0,1,0,0|1,0,0]=3 2853 B9R1.21 CCN1CCC(C1)N[13CH3] 2230a_100015188829_200025704644 [0,1,0,1,0,0|1,0,0]=3 2854 B9R1.21 CCN1CCC(C1)SC 62a_200000210301_200011861547 [0,1,0,1,0,0|0,1,0]=3 2855 B9R1.21 CCN1CCC(C1)S[13CH3] 62a_200025704644_200011861547 [0,1,0,1,0,0|0,1,0]=3 2856 B9R1.21 CCN1CC[C@H](C1)OC 2230a_100000766984_100000210202 [0,1,0,1,0,0|0,0,0]=2 2857 B9R1.21 CCN1CC[C@H](C1)OC 269982a_100000766984_100000204670 [0,1,0,1,0,0|0,0,0]=2 2858 B9R1.21 CO[C@@H]1CCN(C1)CF 269982a_100000766984_100015361967 [0,1,0,1,0,0|1,0,0]=3 2859 B9R1.21 OCC1CCN(C1)CF 269982a_100000748654_100015361967 [0,1,0,1,0,0|1,0,0]=3 2860 B9R1.21 OCC1CCN(C1)CF 34a_100000748654_100015361967 [0,1,0,1,0,0|1,0,0]=3 2861 B9R1.39 C#CCCN1CCC1C 269982a_100000755817_100000730999 [0,1,0,1,0,0|1,0,0]=3 2862 B9R1.39 C#CCCN1CCC1C 34a_100000755817_100000688953 [0,1,0,1,0,0|1,0,0]=3 2863 B9R1.39 C/C=C/CN1CCC1C 269982a_100000755817_100102629194 [0,1,0,1,0,0|1,0,1]=4 2864 B9R1.39 C/C=C/CN1CCC1C 34a_100000755817_100102629194 [0,1,0,1,0,0|1,0,1]=4 2865 B9R1.39 C=CCCN1CCC1C 269982a_100000755817_100000754431 [0,1,0,1,0,0|1,0,0]=3 2866 B9R1.39 C=CCCN1CCC1C 34a_100000755817_100000754431 [0,1,0,1,0,0|1,0,0]=3 2867 B9R1.39 CC#CCN1CCC1C 34a_100000755817_100000748600 [0,1,0,1,0,0|1,0,1]=4 2868 B9R1.39 CC1CCN1CCC#N 269982a_100000755817_100011215226 [0,1,0,1,0,0|1,0,0]=3 2869 B9R1.39 CC1CCN1CCCF 269982a_100000755817_100011934791 [0,1,0,1,0,0|1,0,0]=3 2870 B9R1.39 CC1CCN1CCCF 34a_100000755817_100011934791 [0,1,0,1,0,0|1,0,0]=3 2871 B9R1.39 CC1CCN1CCCO 269982a_100000755817_100011215043 [0,1,0,1,0,0|0,0,0]=2 2872 B9R1.39 CC1CCN1CCCO 34a_100000755817_100000230001 [0,1,0,1,0,0|0,0,0]=2 2873 B9R1.39 CC1CCN1CSC#N 269982a_100000755817_100000211825 [0,1,0,1,0,0|1,0,1]=4 2874 B9R1.39 CC=CCN1CCC1C 34a_100000755817_100000070051 [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.39 CCCCN1CCC1C 269982a_100000755817_100000210211 [0,1,0,1,0,0|1,0,0]=3 2876 B9R1.39 CCCCN1CCC1C 34a_100000755817_100000210210 [0,1,0,1,0,0|1,0,0]=3 2877 B9R1.39 CCOCN1CCC1C 269982a_100000755817_100000739092 [0,1,0,1,0,0|1,0,0]=3 2878 B9R1.39 COCCN1CCC1C 269982a_100000755817_100000233755 [0,1,0,1,0,0|0,0,0]=2 2879 B9R1.39 COCCN1CCC1C 34a_100000755817_100011201679 [0,1,0,1,0,0|0,0,0]=2 2880 B9R1.39 CSCCN1CCC1C 269982a_100000755817_100000212216 [0,1,0,1,0,0|0,1,0]=3 2881 B9R1.39 CSCCN1CCC1C 34a_100000755817_100000212216 [0,1,0,1,0,0|0,1,0]=3 2882 B9R1.70 CCC(CC)N1CCC1 269982a_100000754969_100000210505 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.70 CCN(CC)C1CCC1 2230a_100000758130_100000210202 [0,1,0,1,0,0|1,0,0]=3 2884 B9R1.70 CCN(CC)C1CCC1 269956a_100000042499_100000749161 [0,1,0,1,0,0|1,0,0]=3 2885 B9R1.70 CCN(CC)C1CCC1 269982a_100000724800_100000749161 [0,1,0,1,0,0|1,0,0]=3 2886 B9R1.70 CCN(CC)C1CCC1 269982a_100000758130_100000204670 [0,1,0,1,0,0|1,0,0]=3 2887 B9R1.70 CCN(CC)C1CCC1 270004a_100000724800_100000241760 [0,1,0,1,0,0|1,0,0]=3 2888 B9R1.70 CCN(CC)C1COC1 2230a_200015199590_100000210202 [0,1,0,1,0,0|0,0,0]=2 2889 B9R1.70 CCN(CC)C1COC1 269956a_100000042499_100009818527 [0,1,0,1,0,0|0,0,0]=2 2890 B9R1.70 CCN(CC)C1COC1 269982a_100000724800_100000687716 [0,1,0,1,0,0|0,0,0]=2 2891 B9R1.70 CCN(CC)C1COC1 269982a_200015199590_100000204670 [0,1,0,1,0,0|0,0,0]=2 2892 B9R1.70 CCN(CF)C1CCC1 269982a_100000758130_100015361967 [0,1,0,1,0,0|2,0,0]=4 2893 B9R1.70 CCN(CF)C1COC1 269982a_200015199590_100015361967 [0,1,0,1,0,0|1,0,0]=3 2894 B9R1.72 CCC(CC)SC1CC1 62a_100000210505_100000211595 [0,1,0,1,0,0|2,0,0]=4 2895 B9R1.72 CCN(CC)CC1CC1 2230a_100000724800_100000742324 [0,1,0,1,0,0|1,0,0]=3 2896 B9R1.72 CCN(CC)CC1CC1 269956a_100000042499_100000742324 [0,1,0,1,0,0|1,0,0]=3 2897 B9R1.72 CCN(CC)CC1CC1 269982a_100000724800_100000756562 [0,1,0,1,0,0|1,0,0]=3 2898 B9R1.72 CCN(CC)CC1CO1 2230a_100000724800_100011216344 [0,1,0,1,0,0|0,0,0]=2 2899 B9R1.72 CCN(CC)CC1CO1 269956a_100000042499_102125554688 [0,1,0,1,0,0|0,0,0]=2 2900 B9R1.72 CCN(CC)CC1CO1 269982a_100000724800_102125554688 [0,1,0,1,0,0|0,0,0]=2 2901 B9R1.72 CCN(CC)CC1CS1 269956a_100000042499_100000031435 [0,1,0,1,0,0|0,1,0]=3 2902 B9R1.72 CCN(CC)CC1CS1 269982a_100000724800_100000031435 [0,1,0,1,0,0|0,1,0]=3 2903 B9R1.72 CCN(CC)C[C@@H]1CO1 269956a_100000042499_100000745022 [0,1,0,1,0,0|0,0,0]=2 2904 B9R1.72 CCN(CC)C[C@@H]1CO1 269982a_100000724800_100000745022 [0,1,0,1,0,0|0,0,0]=2 2905 B9R1.89 CCN1CCCCCC1 2230a_100000185865_100000210202 [0,1,0,1,0,0|1,0,0]=3 2906 B9R1.89 CCN1CCCCCC1 269982a_100000185865_100000204670 [0,1,0,1,0,0|1,0,0]=3 2907 B9R1.89 CCN1CCCCCC1 34a_100000185865_100000210202 [0,1,0,1,0,0|1,0,0]=3 2908 B9R1.89 CCN1CCCOCC1 2230a_100000685342_100000210202 [0,1,0,1,0,0|0,0,0]=2 2909 B9R1.89 CCN1CCCOCC1 269982a_100000685342_100000204670 [0,1,0,1,0,0|0,0,0]=2 2910 B9R1.89 CCN1CCCOCC1 34a_100000685342_100000210202 [0,1,0,1,0,0|0,0,0]=2 2911 B9R1.89 FCN1CCCCCC1 269982a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.89 FCN1CCCCCC1 34a_100000185865_100015361967 [0,1,0,1,0,0|2,0,0]=4 2913 B9R1.89 FCN1CCCOCC1 269982a_100000685342_100015361967 [0,1,0,1,0,0|1,0,0]=3 2914 B9R1.89 FCN1CCCOCC1 34a_100000685342_100015361967 [0,1,0,1,0,0|1,0,0]=3 2915 B9R1.193 CCC1(CC1)NCCF 2230a_100000732774_100011217306 [0,1,0,1,0,0|2,0,0]=4 2916 B9R1.193 CCC1(CC1)NCCO 2230a_100000732774_100000211926 [0,1,0,1,0,0|1,0,0]=3 2917 B9R1.193 CCC1(CC1)NCOC 2230a_100000732774_100000766300 [0,1,0,1,0,0|2,0,0]=4 2918 B9R1.193 CCCNC1(CC1)CC 2230a_100000732774_100000210303 [0,1,0,1,0,0|2,0,0]=4 2919 B9R1.193 CNC1(CC1)CCOC 2230a_100020603293_200000210301 [0,1,0,1,0,0|2,0,0]=4 2920 B9R1.193 CNC1(CC1)CCOC 34a_100020603293_200000210301 [0,1,0,1,0,0|2,0,0]=4 2921 B9R1.193 COCCC1(CC1)N[13CH3] 2230a_100020603293_200025704644 [0,1,0,1,0,0|2,0,0]=4 2922 B9R1.193 COCCC1(CC1)N[13CH3] 34a_100020603293_200025704644 [0,1,0,1,0,0|2,0,0]=4 2923 B9R1.193 OCCNC1(CC1)CF 2230a_100000054953_100000211926 [0,1,0,1,0,0|2,0,0]=4 2924 B9R1.193 OCCNC1(CC1)CF 34a_100000054953_100000211926 [0,1,0,1,0,0|2,0,0]=4 2925 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,1,0,1,0,0|1,0,1]=4 2926 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,1,0,1,0,0|1,0,1]=4 2927 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,1,0,1,0,0|0,0,1]=3 2928 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,1,0,1,0,0|0,0,1]=3 2929 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,1,0,1,0,0|0,0,1]=3 2930 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,1,0,1,0,0|0,0,1]=3 2931 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,1,0,1,0,0|0,1,1]=4 2932 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,1,0,1,0,0|0,1,1]=4 2933 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,1,0,1,0,0|0,1,1]=4 2934 B9R1.6 CC(C)N1CC=CCC1 2230a_100000698166_100000210206 [0,1,0,1,0,0|1,0,1]=4 2935 B9R1.6 CC(C)N1CC=CCC1 269982a_100000698166_100000210206 [0,1,0,1,0,0|1,0,1]=4 2936 B9R1.6 CC(C)N1CC=CCC1 34a_100000698166_100000210206 [0,1,0,1,0,0|1,0,1]=4 2937 B9R1.6 CC(C)N1CCCOC1 2230a_100000131196_100000210206 [0,1,0,1,0,0|2,0,0]=4 2938 B9R1.6 CC(C)N1CCCOC1 269982a_100000131196_100000210206 [0,1,0,1,0,0|2,0,0]=4 2939 B9R1.6 CC(C)N1CCCOC1 34a_100000131196_100000210206 [0,1,0,1,0,0|2,0,0]=4 2940 B9R1.6 CC(C)N1CCOCC1 2230a_100015191051_100000210206 [0,1,0,1,0,0|0,0,0]=2 2941 B9R1.6 CC(C)N1CCOCC1 269982a_100015191051_100000210206 [0,1,0,1,0,0|0,0,0]=2 2942 B9R1.6 CC(C)N1CCOCC1 34a_100015191051_100000210206 [0,1,0,1,0,0|0,0,0]=2 2943 B9R1.6 CC(C)N1CCSCC1 2230a_100000737611_100000210206 [0,1,0,1,0,0|0,1,0]=3 2944 B9R1.6 CC(C)N1CCSCC1 269982a_100000737611_100000210206 [0,1,0,1,0,0|0,1,0]=3 2945 B9R1.6 CN(C)C1CCOCC1 2230a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 2946 B9R1.6 CN(C)C1CCOCC1 269982a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 2947 B9R1.6 CN(C)C1CCOCC1 269982a_100102631434_100011324220 [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.6 CN(C)C1CCOCC1 270004a_100102631434_100011217826 [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.6 CN(C)C1CCOCC1 34a_100020587155_200000210301 [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.6 CN([13CH3])C1CCOCC1 2230a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.6 CN([13CH3])C1CCOCC1 269982a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.6 CN([13CH3])C1CCOCC1 34a_100020587155_200025704644 [0,1,0,1,0,0|2,0,0]=4 2953 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,1,0,1,0,0|1,0,1]=4 2954 B9R1.24 CC1(CCCN1CF)C 269982a_100000761399_100015361967 [0,1,0,1,0,0|2,0,0]=4 2955 B9R1.24 CC1(CCCN1CF)C 34a_100000761399_100015361967 [0,1,0,1,0,0|2,0,0]=4 2956 B9R1.24 CC1(SCCN1CF)C 269982a_100011217261_100015361967 [0,1,0,1,0,0|1,1,0]=4 2957 B9R1.24 CC1(SCCN1CF)C 34a_100011217261_100015361967 [0,1,0,1,0,0|1,1,0]=4 2958 B9R1.24 CCN1CCCC1(C)C 2230a_100000761399_100000210202 [0,1,0,1,0,0|1,0,0]=3 2959 B9R1.24 CCN1CCCC1(C)C 269982a_100000761399_100000204670 [0,1,0,1,0,0|1,0,0]=3 2960 B9R1.24 CCN1CCCC1(C)C 34a_100000761399_100000210202 [0,1,0,1,0,0|1,0,0]=3 2961 B9R1.24 CCN1CCSC1(C)C 2230a_100011217261_100000210202 [0,1,0,1,0,0|0,1,0]=3 2962 B9R1.24 CCN1CCSC1(C)C 269982a_100011217261_100000204670 [0,1,0,1,0,0|0,1,0]=3 2963 B9R1.24 CCN1CCSC1(C)C 34a_100011217261_100000210202 [0,1,0,1,0,0|0,1,0]=3 2964 B9R1.24 CCN1COCC1(C)C 2230a_100000043020_100000210202 [0,1,0,1,0,0|2,0,0]=4 2965 B9R1.24 CCN1COCC1(C)C 269982a_100000043020_100000204670 [0,1,0,1,0,0|2,0,0]=4 2966 B9R1.33 C#CCN1CCC[C@@H]1C 2230a_100020605311_100000038162 [0,1,0,1,0,0|1,0,1]=4 2967 B9R1.33 C#CCN1CCC[C@H]1C 2230a_100015189458_100000038162 [0,1,0,1,0,0|1,0,1]=4 2968 B9R1.33 C#CCN1CCC[C@H]1C 34a_100015189458_100000184674 [0,1,0,1,0,0|1,0,1]=4 2969 B9R1.33 C#CCN1CCSC1C 2230a_200011216479_100000038162 [0,1,0,1,0,0|0,1,1]=4 2970 B9R1.33 C#CCN1CCSC1C 34a_200011216479_100000184674 [0,1,0,1,0,0|0,1,1]=4 2971 B9R1.33 C=CCN1CCC[C@@H]1C 2230a_100020605311_100000210623 [0,1,0,1,0,0|1,0,1]=4 2972 B9R1.33 C=CCN1CCC[C@@H]1C 269982a_100020605311_100000210623 [0,1,0,1,0,0|1,0,1]=4 2973 B9R1.33 C=CCN1CCC[C@H]1C 2230a_100015189458_100000210623 [0,1,0,1,0,0|1,0,1]=4 2974 B9R1.33 C=CCN1CCC[C@H]1C 269982a_100015189458_100000210623 [0,1,0,1,0,0|1,0,1]=4 2975 B9R1.33 C=CCN1CCC[C@H]1C 34a_100015189458_100015514636 [0,1,0,1,0,0|1,0,1]=4 2976 B9R1.33 C=CCN1CCSC1C 2230a_200011216479_100000210623 [0,1,0,1,0,0|0,1,1]=4 2977 B9R1.33 C=CCN1CCSC1C 269982a_200011216479_100000210623 [0,1,0,1,0,0|0,1,1]=4 2978 B9R1.33 C=CCN1CCSC1C 34a_200011216479_100015514636 [0,1,0,1,0,0|0,1,1]=4 2979 B9R1.33 CC1SCCN1CC#N 2230a_200011216479_100011215382 [0,1,0,1,0,0|0,1,1]=4 2980 B9R1.33 CC1SCCN1CC#N 269982a_200011216479_100011214920 [0,1,0,1,0,0|0,1,1]=4 2981 B9R1.33 CC1SCCN1CC=O 2230a_200011216479_200015260668 [0,1,0,1,0,0|0,0,2]=4 2982 B9R1.33 CC1SCCN1CC=O 269982a_200011216479_200015260668 [0,1,0,1,0,0|0,0,2]=4 2983 B9R1.33 CC1SCCN1CC=O 34a_200011216479_200009817547 [0,1,0,1,0,0|0,0,2]=4 2984 B9R1.33 CC1SCCN1CCF 2230a_200011216479_100011217306 [0,1,0,1,0,0|0,1,0]=3 2985 B9R1.33 CC1SCCN1CCF 269982a_200011216479_100011217306 [0,1,0,1,0,0|0,1,0]=3 2986 B9R1.33 CC1SCCN1CCF 34a_200011216479_100011217306 [0,1,0,1,0,0|0,1,0]=3 2987 B9R1.33 CC1SCCN1CCO 2230a_200011216479_100000211926 [0,1,0,1,0,0|0,0,0]=2 2988 B9R1.33 CC1SCCN1CCO 269982a_200011216479_100000211926 [0,1,0,1,0,0|0,0,0]=2 2989 B9R1.33 CC1SCCN1CCO 34a_200011216479_100000211926 [0,1,0,1,0,0|0,0,0]=2 2990 B9R1.33 CCCN1CCC[C@@H]1C 2230a_100020605311_100000210303 [0,1,0,1,0,0|1,0,0]=3 2991 B9R1.33 CCCN1CCC[C@@H]1C 269982a_100020605311_100000210303 [0,1,0,1,0,0|1,0,0]=3 2992 B9R1.33 CCCN1CCC[C@H]1C 2230a_100015189458_100000210303 [0,1,0,1,0,0|1,0,0]=3 2993 B9R1.33 CCCN1CCC[C@H]1C 269982a_100015189458_100000210303 [0,1,0,1,0,0|1,0,0]=3 2994 B9R1.33 CCCN1CCC[C@H]1C 34a_100015189458_100000210303 [0,1,0,1,0,0|1,0,0]=3 2995 B9R1.33 CCCN1CCSC1C 2230a_200011216479_100000210303 [0,1,0,1,0,0|0,1,0]=3 2996 B9R1.33 CCCN1CCSC1C 269982a_200011216479_100000210303 [0,1,0,1,0,0|0,1,0]=3 2997 B9R1.33 CCCN1CCSC1C 34a_200011216479_100000210303 [0,1,0,1,0,0|0,1,0]=3 2998 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,1,0,1,0,0|2,0,0]=4 2999 B9R1.33 CCNC1CCOC1C 270004a_100015525214_100000691750 [0,1,0,1,0,0|1,0,0]=3 3000 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 3001 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 3002 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,1,0,1,0,0|1,0,0]=3 3003 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,1,0,1,0,0|1,0,0]=3 3004 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,1,0,1,0,0|1,0,0]=3 3005 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,1,0,1,0,0|1,0,0]=3 3006 B9R1.33 COCN1CCSC1C 2230a_200011216479_100000766300 [0,1,0,1,0,0|0,1,0]=3 3007 B9R1.33 COCN1CCSC1C 269982a_200011216479_100000766300 [0,1,0,1,0,0|0,1,0]=3 3008 B9R1.33 CSCN1CCC[C@@H]1C 2230a_100020605311_100011218213 [0,1,0,1,0,0|1,0,0]=3 3009 B9R1.33 CSCN1CCC[C@@H]1C 269982a_100020605311_100011218213 [0,1,0,1,0,0|1,0,0]=3 3010 B9R1.33 CSCN1CCC[C@H]1C 2230a_100015189458_100011218213 [0,1,0,1,0,0|1,0,0]=3 3011 B9R1.33 CSCN1CCC[C@H]1C 269982a_100015189458_100011218213 [0,1,0,1,0,0|1,0,0]=3 3012 B9R1.33 CSCN1CCC[C@H]1C 34a_100015189458_100011218213 [0,1,0,1,0,0|1,0,0]=3 3013 B9R1.33 CSCN1CCSC1C 2230a_200011216479_100011218213 [0,1,0,1,0,0|0,1,0]=3 3014 B9R1.33 CSCN1CCSC1C 269982a_200011216479_100011218213 [0,1,0,1,0,0|0,1,0]=3 3015 B9R1.33 CSCN1CCSC1C 34a_200011216479_100011218213 [0,1,0,1,0,0|0,1,0]=3 3016 B9R1.33 C[C@@H]1CCCN1CC#N 2230a_100015189458_100011215382 [0,1,0,1,0,0|1,0,1]=4 3017 B9R1.33 C[C@@H]1CCCN1CC#N 269982a_100015189458_100011214920 [0,1,0,1,0,0|1,0,1]=4 3018 B9R1.33 C[C@@H]1CCCN1CC=O 2230a_100015189458_200015260668 [0,1,0,1,0,0|0,0,2]=4 3019 B9R1.33 C[C@@H]1CCCN1CC=O 269982a_100015189458_200015260668 [0,1,0,1,0,0|0,0,2]=4 3020 B9R1.33 C[C@@H]1CCCN1CC=O 34a_100015189458_200009817547 [0,1,0,1,0,0|0,0,2]=4 3021 B9R1.33 C[C@@H]1CCCN1CCF 2230a_100015189458_100011217306 [0,1,0,1,0,0|1,0,0]=3 3022 B9R1.33 C[C@@H]1CCCN1CCF 269982a_100015189458_100011217306 [0,1,0,1,0,0|1,0,0]=3 3023 B9R1.33 C[C@@H]1CCCN1CCF 34a_100015189458_100011217306 [0,1,0,1,0,0|1,0,0]=3 3024 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,1,0,1,0,0|0,0,0]=2 3025 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,1,0,1,0,0|0,0,0]=2 3026 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,1,0,1,0,0|0,0,0]=2 3027 B9R1.33 C[C@H]1CCCN1CC#N 2230a_100020605311_100011215382 [0,1,0,1,0,0|1,0,1]=4 3028 B9R1.33 C[C@H]1CCCN1CC#N 269982a_100020605311_100011214920 [0,1,0,1,0,0|1,0,1]=4 3029 B9R1.33 C[C@H]1CCCN1CC=O 2230a_100020605311_200015260668 [0,1,0,1,0,0|0,0,2]=4 3030 B9R1.33 C[C@H]1CCCN1CC=O 269982a_100020605311_200015260668 [0,1,0,1,0,0|0,0,2]=4 3031 B9R1.33 C[C@H]1CCCN1CCF 2230a_100020605311_100011217306 [0,1,0,1,0,0|1,0,0]=3 3032 B9R1.33 C[C@H]1CCCN1CCF 269982a_100020605311_100011217306 [0,1,0,1,0,0|1,0,0]=3 3033 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,1,0,1,0,0|0,0,0]=2 3034 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,1,0,1,0,0|0,0,0]=2 3035 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,1,0,1,0,0|1,0,1]=4 3036 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,1,0,1,0,0|0,0,1]=3 3037 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,1,0,1,0,0|0,0,1]=3 3038 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,1,0,1,0,0|1,0,1]=4 3039 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,1,0,1,0,0|1,0,1]=4 3040 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,1,0,1,0,0|1,0,1]=4 3041 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,1,0,1,0,0|1,0,1]=4 3042 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,1,0,1,0,0|1,0,1]=4 3043 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,1,0,1,0,0|1,0,1]=4 3044 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,1,0,1,0,0|1,0,1]=4 3045 B9R1.35 CC(C)N1CCC(C1)O 2230a_100011215560_100000210206 [0,1,0,1,0,0|0,0,0]=2 3046 B9R1.35 CC(C)N1CCC(C1)O 269982a_100011215560_100000210206 [0,1,0,1,0,0|0,0,0]=2 3047 B9R1.35 CC(C)N1CC[C@@H](C1)F 2230a_100015203821_100000210206 [0,1,0,1,0,0|1,0,0]=3 3048 B9R1.35 CC(C)N1CC[C@@H](C1)F 269982a_100015203821_100000210206 [0,1,0,1,0,0|1,0,0]=3 3049 B9R1.35 CC(C)N1CC[C@@H](C1)F 34a_100015203821_100000210206 [0,1,0,1,0,0|1,0,0]=3 3050 B9R1.35 CC(C)N1CC[C@H](C1)C 2230a_100016987628_100000210206 [0,1,0,1,0,0|1,0,0]=3 3051 B9R1.35 CC(C)N1CC[C@H](C1)C 269982a_100016987628_100000210206 [0,1,0,1,0,0|1,0,0]=3 3052 B9R1.35 CC(C)N1CC[C@H](C1)C 34a_100016987628_100000210206 [0,1,0,1,0,0|1,0,0]=3 3053 B9R1.35 CN(C)C1CCC(C1)O 270004a_100102631434_100012614533 [0,1,0,1,0,0|2,0,0]=4 3054 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,1,0,1,0,0|1,0,1]=4 3055 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [0,1,0,1,0,0|1,0,1]=4 3056 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [0,1,0,1,0,0|1,0,1]=4 3057 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [0,1,0,1,0,0|1,0,1]=4 3058 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [0,1,0,1,0,0|1,0,1]=4 3059 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [0,1,0,1,0,0|1,0,1]=4 3060 B9R1.41 CC(=O)N1CCSC1C 11a_200011216479_100015343762 [0,1,0,1,0,0|0,1,1]=4 3061 B9R1.41 CC(=O)N1CCSC1C 1626a_200011216479_100015343762 [0,1,0,1,0,0|0,1,1]=4 3062 B9R1.41 CC(=O)N1CCSC1C 240690a_200011216479_100015343762 [0,1,0,1,0,0|0,1,1]=4 3063 B9R1.41 CC(=O)N1CCSC1C 527a_200011216479_100103153847 [0,1,0,1,0,0|0,1,1]=4 3064 B9R1.41 CC(C)N1CCC[C@@H]1C 2230a_100020605311_100000210206 [0,1,0,1,0,0|1,0,0]=3 3065 B9R1.41 CC(C)N1CCC[C@@H]1C 269982a_100020605311_100000210206 [0,1,0,1,0,0|1,0,0]=3 3066 B9R1.41 CC(C)N1CCC[C@H]1C 2230a_100015189458_100000210206 [0,1,0,1,0,0|1,0,0]=3 3067 B9R1.41 CC(C)N1CCC[C@H]1C 269982a_100015189458_100000210206 [0,1,0,1,0,0|1,0,0]=3 3068 B9R1.41 CC(C)N1CCC[C@H]1C 34a_100015189458_100000210206 [0,1,0,1,0,0|1,0,0]=3 3069 B9R1.41 CC(C)N1CCSC1C 2230a_200011216479_100000210206 [0,1,0,1,0,0|0,1,0]=3 3070 B9R1.41 CC(C)N1CCSC1C 269982a_200011216479_100000210206 [0,1,0,1,0,0|0,1,0]=3 3071 B9R1.41 CC(C)N1CCSC1C 34a_200011216479_100000210206 [0,1,0,1,0,0|0,1,0]=3 3072 B9R1.41 CC1OCCC1N(C)C 270004a_100102631434_100000691750 [0,1,0,1,0,0|2,0,0]=4 3073 B9R1.43 C#CCN(CC)C1CC1 2230a_100000738653_100000038162 [0,1,0,1,0,0|1,0,1]=4 3074 B9R1.43 C#CCN(CC)C1CC1 269982a_100000744766_100000211595 [0,1,0,1,0,0|1,0,1]=4 3075 B9R1.43 C=CCN(CC)C1CC1 2230a_100000738653_100000210623 [0,1,0,1,0,0|1,0,1]=4 3076 B9R1.43 C=CCN(CC)C1CC1 269982a_100000738653_100000210623 [0,1,0,1,0,0|1,0,1]=4 3077 B9R1.43 CCCN(CC)C1CC1 2230a_100000738653_100000210303 [0,1,0,1,0,0|1,0,0]=3 3078 B9R1.43 CCCN(CC)C1CC1 2230a_100000765834_100000210202 [0,1,0,1,0,0|1,0,0]=3 3079 B9R1.43 CCCN(CC)C1CC1 269982a_100000226822_100000211595 [0,1,0,1,0,0|1,0,0]=3 3080 B9R1.43 CCCN(CC)C1CC1 269982a_100000738653_100000210303 [0,1,0,1,0,0|1,0,0]=3 3081 B9R1.43 CCCN(CC)C1CC1 269982a_100000765834_100000204670 [0,1,0,1,0,0|1,0,0]=3 3082 B9R1.43 CCCN(CF)C1CC1 269982a_100000765834_100015361967 [0,1,0,1,0,0|2,0,0]=4 3083 B9R1.43 CCN(CC#N)C1CC1 2230a_100000738653_100011215382 [0,1,0,1,0,0|1,0,1]=4 3084 B9R1.43 CCN(CC#N)C1CC1 269982a_100000738653_100011214920 [0,1,0,1,0,0|1,0,1]=4 3085 B9R1.43 CCN(CC=O)C1CC1 2230a_100000738653_200015260668 [0,1,0,1,0,0|0,0,2]=4 3086 B9R1.43 CCN(CC=O)C1CC1 269982a_100000738653_200015260668 [0,1,0,1,0,0|0,0,2]=4 3087 B9R1.43 CCN(CCF)C1CC1 2230a_100000738653_100011217306 [0,1,0,1,0,0|1,0,0]=3 3088 B9R1.43 CCN(CCF)C1CC1 269982a_100000738653_100011217306 [0,1,0,1,0,0|1,0,0]=3 3089 B9R1.43 CCN(CCO)C1CC1 2230a_100000738653_100000211926 [0,1,0,1,0,0|0,0,0]=2 3090 B9R1.43 CCN(CCO)C1CC1 2230a_100000738766_100000210202 [0,1,0,1,0,0|0,0,0]=2 3091 B9R1.43 CCN(CCO)C1CC1 269982a_100000210973_100000211595 [0,1,0,1,0,0|0,0,0]=2 3092 B9R1.43 CCN(CCO)C1CC1 269982a_100000738653_100000211926 [0,1,0,1,0,0|0,0,0]=2 3093 B9R1.43 CCN(CCO)C1CC1 269982a_100000738766_100000204670 [0,1,0,1,0,0|0,0,0]=2 3094 B9R1.43 CCN(CCO)C1CC1 34a_100000738766_100000210202 [0,1,0,1,0,0|0,0,0]=2 3095 B9R1.43 CCN(COC)C1CC1 2230a_100000738653_100000766300 [0,1,0,1,0,0|1,0,0]=3 3096 B9R1.43 CCN(COC)C1CC1 269982a_100000738653_100000766300 [0,1,0,1,0,0|1,0,0]=3 3097 B9R1.43 CCN(CSC)C1CC1 2230a_100000738653_100011218213 [0,1,0,1,0,0|1,0,0]=3 3098 B9R1.43 CCN(CSC)C1CC1 269982a_100000738653_100011218213 [0,1,0,1,0,0|1,0,0]=3 3099 B9R1.43 CCNC(CC)C1CC1 2230a_100025715781_100000210202 [0,1,0,1,0,0|2,0,0]=4 3100 B9R1.43 CCNC(CC)C1CC1 269862a_100015525214_100000759681 [0,1,0,1,0,0|2,0,0]=4 3101 B9R1.43 CCNC(CC)C1CC1 34a_100025715781_100000210202 [0,1,0,1,0,0|2,0,0]=4 3102 B9R1.43 CCOC(CC)C1CC1 34a_100011351122_100000210202 [0,1,0,1,0,0|2,0,0]=4 3103 B9R1.43 CCOC(CC)C1CC1 7a_100011351122_100000210202 [0,1,0,1,0,0|2,0,0]=4 3104 B9R1.43 OCCN(CF)C1CC1 269982a_100000738766_100015361967 [0,1,0,1,0,0|1,0,0]=3 3105 B9R1.43 OCCN(CF)C1CC1 34a_100000738766_100015361967 [0,1,0,1,0,0|1,0,0]=3 3106 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,1,0,1,0,0|0,0,1]=3 3107 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,1,0,1,0,0|0,0,1]=3 3108 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,1,0,1,0,0|0,0,1]=3 3109 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210206 [0,1,0,1,0,0|0,0,0]=2 3110 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210206 [0,1,0,1,0,0|0,0,0]=2 3111 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|0,0,1]=3 3112 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|1,0,1]=4 3113 B9R1.116 CC(C)N(CF)C1CC1 269982a_100000226676_100015361967 [0,1,0,1,0,0|2,0,0]=4 3114 B9R1.116 CC(C)N(CF)C1CC1 34a_100000226676_100015361967 [0,1,0,1,0,0|2,0,0]=4 3115 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [0,1,0,1,0,0|1,0,1]=4 3116 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [0,1,0,1,0,0|1,0,1]=4 3117 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [0,1,0,1,0,0|1,0,1]=4 3118 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [0,1,0,1,0,0|1,0,1]=4 3119 B9R1.116 CCN(C(C)C)C1CC1 2230a_100000226676_100000210202 [0,1,0,1,0,0|1,0,0]=3 3120 B9R1.116 CCN(C(C)C)C1CC1 2230a_100000738653_100000210206 [0,1,0,1,0,0|1,0,0]=3 3121 B9R1.116 CCN(C(C)C)C1CC1 269982a_100000223864_100000211595 [0,1,0,1,0,0|1,0,0]=3 3122 B9R1.116 CCN(C(C)C)C1CC1 269982a_100000226676_100000204670 [0,1,0,1,0,0|1,0,0]=3 3123 B9R1.116 CCN(C(C)C)C1CC1 269982a_100000738653_100000210206 [0,1,0,1,0,0|1,0,0]=3 3124 B9R1.116 CCN(C(C)C)C1CC1 34a_100000226676_100000210202 [0,1,0,1,0,0|1,0,0]=3 3125 B9R1.2 CC1=CCCN(C1)CF 269982a_100000725631_100015361967 [0,1,0,1,0,0|2,0,0]=4 3126 B9R1.2 CC1=CCCN(C1)CF 34a_100000725631_100015361967 [0,1,0,1,0,0|2,0,0]=4 3127 B9R1.2 CC1CC(CCO1)O[13CH3] 34a_100011986385_200025704644 [0,1,0,1,0,0|2,0,0]=4 3128 B9R1.2 CC1CC(CCO1)O[13CH3] 7a_100011986385_200025704644 [0,1,0,1,0,0|2,0,0]=4 3129 B9R1.2 CC1CN(CCO1)CF 269982a_100000729577_100015361967 [0,1,0,1,0,0|1,0,0]=3 3130 B9R1.2 CC1CN(CCO1)CF 34a_100000729577_100015361967 [0,1,0,1,0,0|1,0,0]=3 3131 B9R1.2 CCN1CCC=C(C1)C 2230a_100000725631_100000210202 [0,1,0,1,0,0|1,0,0]=3 3132 B9R1.2 CCN1CCC=C(C1)C 269982a_100000725631_100000204670 [0,1,0,1,0,0|1,0,0]=3 3133 B9R1.2 CCN1CCC=C(C1)C 34a_100000725631_100000210202 [0,1,0,1,0,0|1,0,0]=3 3134 B9R1.2 CCN1CCCC(C1)F 2230a_100000697950_100000210202 [0,1,0,1,0,0|1,0,0]=3 3135 B9R1.2 CCN1CCCC(C1)F 269982a_100000697950_100000204670 [0,1,0,1,0,0|1,0,0]=3 3136 B9R1.2 CCN1CCCC(C1)F 34a_100000697950_100000210202 [0,1,0,1,0,0|1,0,0]=3 3137 B9R1.2 CCN1CCCC(C1)O 2230a_100000211013_100000210202 [0,1,0,1,0,0|0,0,0]=2 3138 B9R1.2 CCN1CCCC(C1)O 269982a_100000211013_100000204670 [0,1,0,1,0,0|0,0,0]=2 3139 B9R1.2 CCN1CCC[C@@H](C1)C 2230a_100000717927_100000210202 [0,1,0,1,0,0|1,0,0]=3 3140 B9R1.2 CCN1CCC[C@@H](C1)C 269982a_100000717927_100000204670 [0,1,0,1,0,0|1,0,0]=3 3141 B9R1.2 CCN1CCC[C@@H](C1)C 34a_100000717927_100000210202 [0,1,0,1,0,0|1,0,0]=3 3142 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [0,1,0,1,0,0|0,0,2]=4 3143 B9R1.2 CCN1CCOC(=O)C1 2230a_100000131268_100000210202 [0,1,0,1,0,0|0,0,1]=3 3144 B9R1.2 CCN1CCOC(C1)C 2230a_100000729577_100000210202 [0,1,0,1,0,0|0,0,0]=2 3145 B9R1.2 CCN1CCOC(C1)C 269982a_100000729577_100000204670 [0,1,0,1,0,0|0,0,0]=2 3146 B9R1.2 CCN1CCOC(C1)C 34a_100000729577_100000210202 [0,1,0,1,0,0|0,0,0]=2 3147 B9R1.2 CCN1CCOC(C1)O 2230a_100000688207_100000210202 [0,1,0,1,0,0|0,0,0]=2 3148 B9R1.2 CCN1CCOC(C1)O 269982a_100000688207_100000204670 [0,1,0,1,0,0|0,0,0]=2 3149 B9R1.2 CNC1CCCC(C1)O 2230a_100015190357_200000210301 [0,1,0,1,0,0|2,0,0]=4 3150 B9R1.2 CNC1CCCC(C1)O 270004a_106832991635_100012613340 [0,1,0,1,0,0|2,0,0]=4 3151 B9R1.2 CNC1CCOC(C1)C 270004a_106832991635_100000755752 [0,1,0,1,0,0|2,0,0]=4 3152 B9R1.2 COC1CCOC(C1)C 34a_100011986385_200000210301 [0,1,0,1,0,0|2,0,0]=4 3153 B9R1.2 COC1CCOC(C1)C 7a_100011986385_200000210301 [0,1,0,1,0,0|2,0,0]=4 3154 B9R1.2 C[C@H]1CCCN(C1)CF 269982a_100000717927_100015361967 [0,1,0,1,0,0|2,0,0]=4 3155 B9R1.2 C[C@H]1CCCN(C1)CF 34a_100000717927_100015361967 [0,1,0,1,0,0|2,0,0]=4 3156 B9R1.2 FCN1CCCC(C1)F 269982a_100000697950_100015361967 [0,1,0,1,0,0|2,0,0]=4 3157 B9R1.2 FCN1CCCC(C1)F 34a_100000697950_100015361967 [0,1,0,1,0,0|2,0,0]=4 3158 B9R1.2 OC1CCCN(C1)CF 269982a_100000211013_100015361967 [0,1,0,1,0,0|1,0,0]=3 3159 B9R1.2 OC1CN(CCO1)CF 269982a_100000688207_100015361967 [0,1,0,1,0,0|1,0,0]=3 3160 B9R1.2 [13CH3]NC1CCCC(C1)O 2230a_100015190357_200025704644 [0,1,0,1,0,0|2,0,0]=4 3161 B9R1.13 C=C(C)CN1CCCC1 2230a_100000188435_100000748629 [0,1,0,1,0,0|1,0,1]=4 3162 B9R1.13 C=C(C)CN1CCCC1 269982a_100000188435_100000748629 [0,1,0,1,0,0|1,0,1]=4 3163 B9R1.13 C=C(F)CN1CCCC1 2230a_100000188435_100009893438 [0,1,0,1,0,0|1,0,1]=4 3164 B9R1.13 C=C(F)CN1CCCC1 269982a_100000188435_100009893438 [0,1,0,1,0,0|1,0,1]=4 3165 B9R1.13 CC(=O)CN1CCCC1 1458a_100000740243_200000210301 [0,1,0,1,0,0|0,0,2]=4 3166 B9R1.13 CC(C)CN1CCCC1 2230a_100000188435_100000210760 [0,1,0,1,0,0|1,0,0]=3 3167 B9R1.13 CC(C)CN1CCCC1 269982a_100000188435_100000210624 [0,1,0,1,0,0|1,0,0]=3 3168 B9R1.13 CC(C)CN1CCCC1 270004a_100000188435_100000210432 [0,1,0,1,0,0|1,0,0]=3 3169 B9R1.13 CC(C)CN1CCSC1 2230a_100011215254_100000210760 [0,1,0,1,0,0|2,0,0]=4 3170 B9R1.13 CC(C)CN1CCSC1 269982a_100011215254_100000210624 [0,1,0,1,0,0|2,0,0]=4 3171 B9R1.13 CC(C)CN1CCSC1 270004a_100011215254_100000210432 [0,1,0,1,0,0|2,0,0]=4 3172 B9R1.13 CC(O)CN1CC=CC1 269982a_100015195280_100011218427 [0,1,0,1,0,0|0,0,2]=4 3173 B9R1.13 CC(O)CN1CCCC1 2230a_100000188435_100011218427 [0,1,0,1,0,0|0,0,0]=2 3174 B9R1.13 CC(O)CN1CCCC1 269982a_100000188435_100011218427 [0,1,0,1,0,0|0,0,0]=2 3175 B9R1.13 CC(O)CN1CCSC1 2230a_100011215254_100011218427 [0,1,0,1,0,0|1,0,0]=3 3176 B9R1.13 CC(O)CN1CCSC1 269982a_100011215254_100011218427 [0,1,0,1,0,0|1,0,0]=3 3177 B9R1.13 C[C@@H](O)CN1CC=CC1 269982a_100015195280_100009817552 [0,1,0,1,0,0|0,0,2]=4 3178 B9R1.13 C[C@@H](O)CN1CCCC1 2230a_100000188435_100009817552 [0,1,0,1,0,0|0,0,0]=2 3179 B9R1.13 C[C@@H](O)CN1CCCC1 269982a_100000188435_100009817552 [0,1,0,1,0,0|0,0,0]=2 3180 B9R1.13 C[C@@H](O)CN1CCSC1 2230a_100011215254_100009817552 [0,1,0,1,0,0|1,0,0]=3 3181 B9R1.13 C[C@@H](O)CN1CCSC1 269982a_100011215254_100009817552 [0,1,0,1,0,0|1,0,0]=3 3182 B9R1.13 FC(F)CN1CCCC1 2230a_100000188435_100011934356 [0,1,0,1,0,0|1,0,0]=3 3183 B9R1.13 FC(F)CN1CCCC1 269982a_100000188435_100011934356 [0,1,0,1,0,0|1,0,0]=3 3184 B9R1.13 FC(F)CN1CCSC1 2230a_100011215254_100011934356 [0,1,0,1,0,0|2,0,0]=4 3185 B9R1.13 FC(F)CN1CCSC1 269982a_100011215254_100011934356 [0,1,0,1,0,0|2,0,0]=4 3186 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [0,1,0,1,0,0|0,0,2]=4 3187 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [0,1,0,1,0,0|0,0,2]=4 3188 B9R1.13 O=C([O-])CN1CCCC1 269982a_100000188435_100020667443 [0,1,0,1,0,0|0,0,2]=4 3189 B9R1.13 O=[N+]([O-])CN1CCCC1 269982a_100000188435_100000761209 [0,1,0,1,0,0|1,0,1]=4 3190 B9R1.13 [13CH3]C(=O)CN1CCCC1 1458a_100000740243_200025704644 [0,1,0,1,0,0|0,0,2]=4 3191 B9R1.67 C=C(C)CN1CCC1C 269982a_100000755817_100000748629 [0,1,0,1,0,0|1,0,1]=4 3192 B9R1.67 C=C(C)CN1CCC1C 34a_100000755817_100000748629 [0,1,0,1,0,0|1,0,1]=4 3193 B9R1.67 C=C(F)CN1CCC1C 269982a_100000755817_100009893438 [0,1,0,1,0,0|1,0,1]=4 3194 B9R1.67 C=C(F)CN1CCC1C 34a_100000755817_100009893438 [0,1,0,1,0,0|1,0,1]=4 3195 B9R1.67 CC(C)CN1CCC1C 269982a_100000755817_100000210624 [0,1,0,1,0,0|1,0,0]=3 3196 B9R1.67 CC(C)CN1CCC1C 34a_100000755817_100000210624 [0,1,0,1,0,0|1,0,0]=3 3197 B9R1.67 CC(O)CN1CCC1C 269982a_100000755817_100011218427 [0,1,0,1,0,0|0,0,0]=2 3198 B9R1.67 CC(O)CN1CCC1C 34a_100000755817_100011218427 [0,1,0,1,0,0|0,0,0]=2 3199 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [0,1,0,1,0,0|0,0,2]=4 3200 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [0,1,0,1,0,0|0,0,2]=4 3201 B9R1.67 CC1CCN1CC(=O)[O-] 269982a_100000755817_100020667443 [0,1,0,1,0,0|0,0,2]=4 3202 B9R1.67 CC1CCN1CC(=O)[O-] 34a_100000755817_100020667443 [0,1,0,1,0,0|0,0,2]=4 3203 B9R1.67 CC1CCN1CC(F)F 269982a_100000755817_100011934356 [0,1,0,1,0,0|1,0,0]=3 3204 B9R1.67 CC1CCN1CC(F)F 34a_100000755817_100011934356 [0,1,0,1,0,0|1,0,0]=3 3205 B9R1.67 CC1CCN1C[C@@H](C)O 269982a_100000755817_100009817552 [0,1,0,1,0,0|0,0,0]=2 3206 B9R1.67 CC1CCN1C[C@@H](C)O 34a_100000755817_100009817552 [0,1,0,1,0,0|0,0,0]=2 3207 B9R1.67 CC1CCN1C[N+](=O)[O-] 269982a_100000755817_100000761209 [0,1,0,1,0,0|1,0,1]=4 3208 B9R1.67 CC1CCN1C[N+](=O)[O-] 34a_100000755817_100000761209 [0,1,0,1,0,0|1,0,1]=4 3209 B9R1.133 CC1(CCN(C1)CF)C 269982a_100000764714_100015361967 [0,1,0,1,0,0|2,0,0]=4 3210 B9R1.133 CC1(CCN(C1)CF)O 269982a_100000718628_100015361967 [0,1,0,1,0,0|1,0,0]=3 3211 B9R1.133 CCN1CCC(C1)(C)C 2230a_100000764714_100000210202 [0,1,0,1,0,0|1,0,0]=3 3212 B9R1.133 CCN1CCC(C1)(C)C 269982a_100000764714_100000204670 [0,1,0,1,0,0|1,0,0]=3 3213 B9R1.133 CCN1CCC(C1)(C)O 2230a_100000718628_100000210202 [0,1,0,1,0,0|0,0,0]=2 3214 B9R1.133 CCN1CCC(C1)(C)O 269982a_100000718628_100000204670 [0,1,0,1,0,0|0,0,0]=2 3215 B9R1.133 CCN1CCC(C1)(F)F 2230a_100000697292_100000210202 [0,1,0,1,0,0|1,0,0]=3 3216 B9R1.133 CCN1CCC(C1)(F)F 269982a_100000697292_100000204670 [0,1,0,1,0,0|1,0,0]=3 3217 B9R1.133 CCN1CCC(C1)(F)F 34a_100000697292_100000210202 [0,1,0,1,0,0|1,0,0]=3 3218 B9R1.133 FCN1CCC(C1)(F)F 269982a_100000697292_100015361967 [0,1,0,1,0,0|2,0,0]=4 3219 B9R1.133 FCN1CCC(C1)(F)F 34a_100000697292_100015361967 [0,1,0,1,0,0|2,0,0]=4 3220 B9R1.11 C=CC(C)N1CCCC1 269982a_100000188435_100011215867 [0,1,0,1,0,0|1,0,1]=4 3221 B9R1.11 CC(C#N)N1CCCC1 2230a_100000188435_100000184139 [0,1,0,1,0,0|1,0,1]=4 3222 B9R1.11 CC(C#N)N1CCCC1 269982a_100000188435_100000703298 [0,1,0,1,0,0|1,0,1]=4 3223 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [0,1,0,1,0,0|0,0,0]=2 3224 B9R1.11 CC(CO)N1CCSC1 2230a_100011215254_100012180447 [0,1,0,1,0,0|1,0,0]=3 3225 B9R1.11 CCC(=O)N1CCCC1 240690a_100000188435_100000210414 [0,1,0,1,0,0|1,0,1]=4 3226 B9R1.11 CCC(=O)N1CCCC1 527a_100000188435_100000210414 [0,1,0,1,0,0|1,0,1]=4 3227 B9R1.11 CCC(C)N1CCCC1 2230a_100000188435_100000758301 [0,1,0,1,0,0|1,0,0]=3 3228 B9R1.11 CCC(C)N1CCCC1 269982a_100000188435_100000758301 [0,1,0,1,0,0|1,0,0]=3 3229 B9R1.11 CCC(C)N1CCSC1 2230a_100011215254_100000758301 [0,1,0,1,0,0|2,0,0]=4 3230 B9R1.11 CCC(C)N1CCSC1 269982a_100011215254_100000758301 [0,1,0,1,0,0|2,0,0]=4 3231 B9R1.11 COC(C)N1CCCC1 269982a_100000188435_100009879195 [0,1,0,1,0,0|2,0,0]=4 3232 B9R1.11 C[C@H](CO)N1CC=CC1 269982a_100015195280_100016084084 [0,1,0,1,0,0|0,0,2]=4 3233 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [0,1,0,1,0,0|0,0,0]=2 3234 B9R1.11 C[C@H](CO)N1CCSC1 269982a_100011215254_100016084084 [0,1,0,1,0,0|1,0,0]=3 3235 B9R1.11 O=C(CO)C1CCCC1 1458a_100000210174_100000179811 [0,1,0,1,0,0|1,0,1]=4 3236 B9R1.11 O=C(CO)N1CCCC1 240690a_100000188435_100000210174 [0,1,0,1,0,0|0,0,1]=3 3237 B9R1.11 O=C(CO)N1CCCC1 527a_100000188435_100000210174 [0,1,0,1,0,0|0,0,1]=3 3238 B9R1.11 O=C(CO)N1CCSC1 240690a_100011215254_100000210174 [0,1,0,1,0,0|1,0,1]=4 3239 B9R1.11 O=C(CO)N1CCSC1 527a_100011215254_100000210174 [0,1,0,1,0,0|1,0,1]=4 3240 B9R1.14 CCC1C=CCN1CC 2230a_100000730860_100000210202 [0,1,0,1,0,0|1,0,1]=4 3241 B9R1.14 CCC1C=CCN1CC 269982a_100000730860_100000204670 [0,1,0,1,0,0|1,0,1]=4 3242 B9R1.14 CCC1C=CCN1CC 34a_100000730860_100000210202 [0,1,0,1,0,0|1,0,1]=4 3243 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,1,0,1,0,0|2,0,0]=4 3244 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,1,0,1,0,0|2,0,0]=4 3245 B9R1.14 CCC1CCCN1CC 2230a_100000754278_100000210202 [0,1,0,1,0,0|1,0,0]=3 3246 B9R1.14 CCC1CCCN1CC 269982a_100000754278_100000204670 [0,1,0,1,0,0|1,0,0]=3 3247 B9R1.14 CCC1CCCN1CC 34a_100000754278_100000210202 [0,1,0,1,0,0|1,0,0]=3 3248 B9R1.14 CCC1CCCN1CF 269982a_100000754278_100015361967 [0,1,0,1,0,0|2,0,0]=4 3249 B9R1.14 CCC1CCCN1CF 34a_100000754278_100015361967 [0,1,0,1,0,0|2,0,0]=4 3250 B9R1.14 CCN1CCCC1C#N 2230a_100000701862_100000210202 [0,1,0,1,0,0|1,0,1]=4 3251 B9R1.14 CCN1CCC[C@@H]1C#N 2230a_106645074975_100000210202 [0,1,0,1,0,0|1,0,1]=4 3252 B9R1.14 CCN1CCC[C@@H]1C#N 269982a_106645074975_100000204670 [0,1,0,1,0,0|1,0,1]=4 3253 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,1,0,1,0,0|0,0,0]=2 3254 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,1,0,1,0,0|0,0,0]=2 3255 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,1,0,1,0,0|0,0,0]=2 3256 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [0,1,0,1,0,0|1,0,0]=3 3257 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [0,1,0,1,0,0|1,0,0]=3 3258 B9R1.27 CC1CCC(N1CF)C 269982a_100000687148_100015361967 [0,1,0,1,0,0|2,0,0]=4 3259 B9R1.27 CC1CCC(N1CF)C 34a_100000687148_100015361967 [0,1,0,1,0,0|2,0,0]=4 3260 B9R1.27 CCN1C(CCC1C)C 2230a_100000687148_100000210202 [0,1,0,1,0,0|1,0,0]=3 3261 B9R1.27 CCN1C(CCC1C)C 269982a_100000687148_100000204670 [0,1,0,1,0,0|1,0,0]=3 3262 B9R1.27 CCN1C(CCC1C)C 34a_100000687148_100000210202 [0,1,0,1,0,0|1,0,0]=3 3263 B9R1.81 C#CC(C)N1CCC1C 34a_100000755817_200000035995 [0,1,0,1,0,0|1,0,1]=4 3264 B9R1.81 C=CC(C)N1CCC1C 269982a_100000755817_100011215867 [0,1,0,1,0,0|1,0,1]=4 3265 B9R1.81 CC(C#N)N1CCC1C 269982a_100000755817_100000703298 [0,1,0,1,0,0|1,0,1]=4 3266 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [0,1,0,1,0,0|0,0,0]=2 3267 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|0,0,1]=3 3268 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|0,0,1]=3 3269 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [0,1,0,1,0,0|0,0,0]=2 3270 B9R1.81 CCC(=O)N1CCC1C 11a_100000755817_100000210414 [0,1,0,1,0,0|1,0,1]=4 3271 B9R1.81 CCC(=O)N1CCC1C 240690a_100000755817_100000210414 [0,1,0,1,0,0|1,0,1]=4 3272 B9R1.81 CCC(=O)N1CCC1C 527a_100000755817_100000210414 [0,1,0,1,0,0|1,0,1]=4 3273 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,1,0,1,0,0|1,0,0]=3 3274 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,1,0,1,0,0|1,0,0]=3 3275 B9R1.81 COC(C)N1CCC1C 269982a_100000755817_100009879195 [0,1,0,1,0,0|2,0,0]=4 3276 B9R1.7 C#CCN1CCC(C1)O 2230a_100011215560_100000038162 [0,1,0,1,0,0|0,0,1]=3 3277 B9R1.7 C#CCN1CC[C@@H](C1)F 2230a_100015203821_100000038162 [0,1,0,1,0,0|1,0,1]=4 3278 B9R1.7 C#CCN1CC[C@@H](C1)F 34a_100015203821_100000184674 [0,1,0,1,0,0|1,0,1]=4 3279 B9R1.7 C#CCN1CC[C@H](C1)C 2230a_100016987628_100000038162 [0,1,0,1,0,0|1,0,1]=4 3280 B9R1.7 C#CCN1CC[C@H](C1)C 34a_100016987628_100000184674 [0,1,0,1,0,0|1,0,1]=4 3281 B9R1.7 C=CCN1CCC(C1)O 2230a_100011215560_100000210623 [0,1,0,1,0,0|0,0,1]=3 3282 B9R1.7 C=CCN1CCC(C1)O 269982a_100011215560_100000210623 [0,1,0,1,0,0|0,0,1]=3 3283 B9R1.7 C=CCN1CC[C@@H](C1)F 2230a_100015203821_100000210623 [0,1,0,1,0,0|1,0,1]=4 3284 B9R1.7 C=CCN1CC[C@@H](C1)F 269982a_100015203821_100000210623 [0,1,0,1,0,0|1,0,1]=4 3285 B9R1.7 C=CCN1CC[C@@H](C1)F 34a_100015203821_100015514636 [0,1,0,1,0,0|1,0,1]=4 3286 B9R1.7 C=CCN1CC[C@H](C1)C 2230a_100016987628_100000210623 [0,1,0,1,0,0|1,0,1]=4 3287 B9R1.7 C=CCN1CC[C@H](C1)C 269982a_100016987628_100000210623 [0,1,0,1,0,0|1,0,1]=4 3288 B9R1.7 C=CCN1CC[C@H](C1)C 34a_100016987628_100015514636 [0,1,0,1,0,0|1,0,1]=4 3289 B9R1.7 CCCN1CCC(C1)O 2230a_100011215560_100000210303 [0,1,0,1,0,0|0,0,0]=2 3290 B9R1.7 CCCN1CCC(C1)O 269982a_100011215560_100000210303 [0,1,0,1,0,0|0,0,0]=2 3291 B9R1.7 CCCN1CC[C@@H](C1)F 2230a_100015203821_100000210303 [0,1,0,1,0,0|1,0,0]=3 3292 B9R1.7 CCCN1CC[C@@H](C1)F 269982a_100015203821_100000210303 [0,1,0,1,0,0|1,0,0]=3 3293 B9R1.7 CCCN1CC[C@@H](C1)F 34a_100015203821_100000210303 [0,1,0,1,0,0|1,0,0]=3 3294 B9R1.7 CCCN1CC[C@H](C1)C 2230a_100016987628_100000210303 [0,1,0,1,0,0|1,0,0]=3 3295 B9R1.7 CCCN1CC[C@H](C1)C 269982a_100016987628_100000210303 [0,1,0,1,0,0|1,0,0]=3 3296 B9R1.7 CCCN1CC[C@H](C1)C 34a_100016987628_100000210303 [0,1,0,1,0,0|1,0,0]=3 3297 B9R1.7 CCNC1CCC(C1)C 270004a_100015525214_100011215218 [0,1,0,1,0,0|2,0,0]=4 3298 B9R1.7 CCNC1CCC(C1)O 270004a_100015525214_100012614533 [0,1,0,1,0,0|1,0,0]=3 3299 B9R1.7 CCN[C@H]1CC[C@H](C1)O 2230a_100015195300_100000210202 [0,1,0,1,0,0|1,0,0]=3 3300 B9R1.7 CCOC1CCC(C1)C 34a_100000698185_100000210202 [0,1,0,1,0,0|2,0,0]=4 3301 B9R1.7 CN1CCC(C1)CCO 2230a_100016987287_200000210301 [0,1,0,1,0,0|1,0,0]=3 3302 B9R1.7 CN1CCC(C1)CCO 269982a_100016987287_200000210301 [0,1,0,1,0,0|1,0,0]=3 3303 B9R1.7 CN1CCC(C1)CCO 34a_100016987287_200000210301 [0,1,0,1,0,0|1,0,0]=3 3304 B9R1.7 COCN1CCC(C1)O 2230a_100011215560_100000766300 [0,1,0,1,0,0|0,0,0]=2 3305 B9R1.7 COCN1CCC(C1)O 269982a_100011215560_100000766300 [0,1,0,1,0,0|0,0,0]=2 3306 B9R1.7 COCN1CC[C@@H](C1)F 2230a_100015203821_100000766300 [0,1,0,1,0,0|1,0,0]=3 3307 B9R1.7 COCN1CC[C@@H](C1)F 269982a_100015203821_100000766300 [0,1,0,1,0,0|1,0,0]=3 3308 B9R1.7 COCN1CC[C@H](C1)C 2230a_100016987628_100000766300 [0,1,0,1,0,0|1,0,0]=3 3309 B9R1.7 COCN1CC[C@H](C1)C 269982a_100016987628_100000766300 [0,1,0,1,0,0|1,0,0]=3 3310 B9R1.7 CSCN1CCC(C1)O 2230a_100011215560_100011218213 [0,1,0,1,0,0|0,0,0]=2 3311 B9R1.7 CSCN1CCC(C1)O 269982a_100011215560_100011218213 [0,1,0,1,0,0|0,0,0]=2 3312 B9R1.7 CSCN1CC[C@@H](C1)F 2230a_100015203821_100011218213 [0,1,0,1,0,0|1,0,0]=3 3313 B9R1.7 CSCN1CC[C@@H](C1)F 269982a_100015203821_100011218213 [0,1,0,1,0,0|1,0,0]=3 3314 B9R1.7 CSCN1CC[C@@H](C1)F 34a_100015203821_100011218213 [0,1,0,1,0,0|1,0,0]=3 3315 B9R1.7 CSCN1CC[C@H](C1)C 2230a_100016987628_100011218213 [0,1,0,1,0,0|1,0,0]=3 3316 B9R1.7 CSCN1CC[C@H](C1)C 269982a_100016987628_100011218213 [0,1,0,1,0,0|1,0,0]=3 3317 B9R1.7 CSCN1CC[C@H](C1)C 34a_100016987628_100011218213 [0,1,0,1,0,0|1,0,0]=3 3318 B9R1.7 C[C@@H]1CCN(C1)CC#N 2230a_100016987628_100011215382 [0,1,0,1,0,0|1,0,1]=4 3319 B9R1.7 C[C@@H]1CCN(C1)CC#N 269982a_100016987628_100011214920 [0,1,0,1,0,0|1,0,1]=4 3320 B9R1.7 C[C@@H]1CCN(C1)CC=O 2230a_100016987628_200015260668 [0,1,0,1,0,0|0,0,2]=4 3321 B9R1.7 C[C@@H]1CCN(C1)CC=O 269982a_100016987628_200015260668 [0,1,0,1,0,0|0,0,2]=4 3322 B9R1.7 C[C@@H]1CCN(C1)CC=O 34a_100016987628_200009817547 [0,1,0,1,0,0|0,0,2]=4 3323 B9R1.7 C[C@@H]1CCN(C1)CCF 2230a_100016987628_100011217306 [0,1,0,1,0,0|1,0,0]=3 3324 B9R1.7 C[C@@H]1CCN(C1)CCF 269982a_100016987628_100011217306 [0,1,0,1,0,0|1,0,0]=3 3325 B9R1.7 C[C@@H]1CCN(C1)CCF 34a_100016987628_100011217306 [0,1,0,1,0,0|1,0,0]=3 3326 B9R1.7 C[C@@H]1CCN(C1)CCO 2230a_100016987628_100000211926 [0,1,0,1,0,0|0,0,0]=2 3327 B9R1.7 C[C@@H]1CCN(C1)CCO 269982a_100016987628_100000211926 [0,1,0,1,0,0|0,0,0]=2 3328 B9R1.7 C[C@@H]1CCN(C1)CCO 34a_100016987628_100000211926 [0,1,0,1,0,0|0,0,0]=2 3329 B9R1.7 FCCN1CC[C@@H](C1)F 2230a_100015203821_100011217306 [0,1,0,1,0,0|1,0,0]=3 3330 B9R1.7 FCCN1CC[C@@H](C1)F 269982a_100015203821_100011217306 [0,1,0,1,0,0|1,0,0]=3 3331 B9R1.7 FCCN1CC[C@@H](C1)F 34a_100015203821_100011217306 [0,1,0,1,0,0|1,0,0]=3 3332 B9R1.7 N#CCN1CCC(C1)O 2230a_100011215560_100011215382 [0,1,0,1,0,0|0,0,1]=3 3333 B9R1.7 N#CCN1CCC(C1)O 269982a_100011215560_100011214920 [0,1,0,1,0,0|0,0,1]=3 3334 B9R1.7 N#CCN1CC[C@@H](C1)F 2230a_100015203821_100011215382 [0,1,0,1,0,0|1,0,1]=4 3335 B9R1.7 N#CCN1CC[C@@H](C1)F 269982a_100015203821_100011214920 [0,1,0,1,0,0|1,0,1]=4 3336 B9R1.7 O=C1CN(CN1)CCO 2230a_200000708111_100000211926 [0,1,0,1,0,0|1,0,1]=4 3337 B9R1.7 O=CCN1CCC(C1)O 2230a_100011215560_200015260668 [0,1,0,1,0,0|0,0,1]=3 3338 B9R1.7 O=CCN1CCC(C1)O 269982a_100011215560_200015260668 [0,1,0,1,0,0|0,0,1]=3 3339 B9R1.7 O=CCN1CC[C@@H](C1)F 2230a_100015203821_200015260668 [0,1,0,1,0,0|0,0,2]=4 3340 B9R1.7 O=CCN1CC[C@@H](C1)F 269982a_100015203821_200015260668 [0,1,0,1,0,0|0,0,2]=4 3341 B9R1.7 O=CCN1CC[C@@H](C1)F 34a_100015203821_200009817547 [0,1,0,1,0,0|0,0,2]=4 3342 B9R1.7 OC1CCN(C1)CCF 2230a_100011215560_100011217306 [0,1,0,1,0,0|0,0,0]=2 3343 B9R1.7 OC1CCN(C1)CCF 269982a_100011215560_100011217306 [0,1,0,1,0,0|0,0,0]=2 3344 B9R1.7 OCCN1CCC(C1)O 2230a_100011215560_100000211926 [0,1,0,1,0,0|0,0,0]=2 3345 B9R1.7 OCCN1CCC(C1)O 269982a_100011215560_100000211926 [0,1,0,1,0,0|0,0,0]=2 3346 B9R1.7 OCCN1CC[C@@H](C1)F 2230a_100015203821_100000211926 [0,1,0,1,0,0|0,0,0]=2 3347 B9R1.7 OCCN1CC[C@@H](C1)F 269982a_100015203821_100000211926 [0,1,0,1,0,0|0,0,0]=2 3348 B9R1.7 OCCN1CC[C@@H](C1)F 34a_100015203821_100000211926 [0,1,0,1,0,0|0,0,0]=2 3349 B9R1.7 [13CH3]N1CCC(C1)CCO 2230a_100016987287_200025704644 [0,1,0,1,0,0|1,0,0]=3 3350 B9R1.7 [13CH3]N1CCC(C1)CCO 269982a_100016987287_200025704644 [0,1,0,1,0,0|1,0,0]=3 3351 B9R1.7 [13CH3]N1CCC(C1)CCO 34a_100016987287_200025704644 [0,1,0,1,0,0|1,0,0]=3 3352 B9R1.8 C#CCN1CCCOC1 2230a_100000131196_100000038162 [0,1,0,1,0,0|1,0,1]=4 3353 B9R1.8 C#CCN1CCCOC1 34a_100000131196_100000184674 [0,1,0,1,0,0|1,0,1]=4 3354 B9R1.8 C#CCN1CCOCC1 2230a_100015191051_100000038162 [0,1,0,1,0,0|0,0,1]=3 3355 B9R1.8 C#CCN1CCOCC1 34a_100015191051_100000184674 [0,1,0,1,0,0|0,0,1]=3 3356 B9R1.8 C#CCN1CCSCC1 2230a_100000737611_100000038162 [0,1,0,1,0,0|0,1,1]=4 3357 B9R1.8 C=CCN1CCCOC1 2230a_100000131196_100000210623 [0,1,0,1,0,0|1,0,1]=4 3358 B9R1.8 C=CCN1CCCOC1 269982a_100000131196_100000210623 [0,1,0,1,0,0|1,0,1]=4 3359 B9R1.8 C=CCN1CCCOC1 34a_100000131196_100015514636 [0,1,0,1,0,0|1,0,1]=4 3360 B9R1.8 C=CCN1CCOCC1 2230a_100015191051_100000210623 [0,1,0,1,0,0|0,0,1]=3 3361 B9R1.8 C=CCN1CCOCC1 269982a_100015191051_100000210623 [0,1,0,1,0,0|0,0,1]=3 3362 B9R1.8 C=CCN1CCOCC1 34a_100015191051_100015514636 [0,1,0,1,0,0|0,0,1]=3 3363 B9R1.8 C=CCN1CCSCC1 2230a_100000737611_100000210623 [0,1,0,1,0,0|0,1,1]=4 3364 B9R1.8 C=CCN1CCSCC1 269982a_100000737611_100000210623 [0,1,0,1,0,0|0,1,1]=4 3365 B9R1.8 CCCN1CC=CCC1 2230a_100000698166_100000210303 [0,1,0,1,0,0|1,0,1]=4 3366 B9R1.8 CCCN1CC=CCC1 269982a_100000698166_100000210303 [0,1,0,1,0,0|1,0,1]=4 3367 B9R1.8 CCCN1CC=CCC1 34a_100000698166_100000210303 [0,1,0,1,0,0|1,0,1]=4 3368 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [0,1,0,1,0,0|1,0,0]=3 3369 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [0,1,0,1,0,0|1,0,0]=3 3370 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [0,1,0,1,0,0|1,0,0]=3 3371 B9R1.8 CCCN1CCOCC1 2230a_100015191051_100000210303 [0,1,0,1,0,0|0,0,0]=2 3372 B9R1.8 CCCN1CCOCC1 269982a_100015191051_100000210303 [0,1,0,1,0,0|0,0,0]=2 3373 B9R1.8 CCCN1CCOCC1 34a_100015191051_100000210303 [0,1,0,1,0,0|0,0,0]=2 3374 B9R1.8 CCCN1CCSCC1 2230a_100000737611_100000210303 [0,1,0,1,0,0|0,1,0]=3 3375 B9R1.8 CCCN1CCSCC1 269982a_100000737611_100000210303 [0,1,0,1,0,0|0,1,0]=3 3376 B9R1.8 CCNC1CCCCC1 2230a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 3377 B9R1.8 CCNC1CCCCC1 270004a_100015525214_100000210434 [0,1,0,1,0,0|2,0,0]=4 3378 B9R1.8 CCNC1CCCCC1 34a_100000182618_100000210202 [0,1,0,1,0,0|2,0,0]=4 3379 B9R1.8 CCNC1CCNCC1 270004a_100015525214_100015192401 [0,1,0,1,0,0|2,0,0]=4 3380 B9R1.8 CCNC1CCOCC1 2230a_100000741149_100000210202 [0,1,0,1,0,0|1,0,0]=3 3381 B9R1.8 CCNC1CCOCC1 270004a_100015525214_100011217826 [0,1,0,1,0,0|1,0,0]=3 3382 B9R1.8 CCNC1CCOCC1 34a_100000741149_100000210202 [0,1,0,1,0,0|1,0,0]=3 3383 B9R1.8 CCNC1CCSCC1 2230a_100000748639_100000210202 [0,1,0,1,0,0|1,1,0]=4 3384 B9R1.8 CCNC1CCSCC1 270004a_100015525214_100000203788 [0,1,0,1,0,0|1,1,0]=4 3385 B9R1.8 CCNC1CCSCC1 34a_100000748639_100000210202 [0,1,0,1,0,0|1,1,0]=4 3386 B9R1.8 CCOC1CCCCC1 34a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 3387 B9R1.8 CCOC1CCCCC1 34a_100121572206_100000210327 [0,1,0,1,0,0|2,0,0]=4 3388 B9R1.8 CCOC1CCCCC1 7a_100000210231_100000210202 [0,1,0,1,0,0|2,0,0]=4 3389 B9R1.8 CCOC1CCOCC1 34a_100000744328_100000210202 [0,1,0,1,0,0|1,0,0]=3 3390 B9R1.8 CCOC1CCSCC1 34a_100000731022_100000210202 [0,1,0,1,0,0|1,1,0]=4 3391 B9R1.8 CCOC1CCSCC1 34a_100121572206_100000069128 [0,1,0,1,0,0|1,1,0]=4 3392 B9R1.8 CCOC1CCSCC1 7a_100000731022_100000210202 [0,1,0,1,0,0|1,1,0]=4 3393 B9R1.8 CCSC1CCCCC1 62a_100000210202_100000210327 [0,1,0,1,0,0|2,0,0]=4 3394 B9R1.8 CCSC1CCCCC1 62a_100000210327_100000210202 [0,1,0,1,0,0|2,0,0]=4 3395 B9R1.8 CCSC1CCOCC1 62a_100000210202_100011324220 [0,1,0,1,0,0|1,0,0]=3 3396 B9R1.8 CCSC1CCSCC1 62a_100000210202_100000069128 [0,1,0,1,0,0|1,1,0]=4 3397 B9R1.8 CNCC1CCCCC1 2230a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 3398 B9R1.8 CNCC1CCCCC1 2230a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 3399 B9R1.8 CNCC1CCCCC1 269862a_106832991636_100000211278 [0,1,0,1,0,0|2,0,0]=4 3400 B9R1.8 CNCC1CCCCC1 34a_100000210473_200000210301 [0,1,0,1,0,0|2,0,0]=4 3401 B9R1.8 CNCC1CCCCC1 34a_100102657272_100000211423 [0,1,0,1,0,0|2,0,0]=4 3402 B9R1.8 CNCC1CCCCC1 7a_106832991635_100000211423 [0,1,0,1,0,0|2,0,0]=4 3403 B9R1.8 CNCC1CCOCC1 2230a_100000746373_200000210301 [0,1,0,1,0,0|1,0,0]=3 3404 B9R1.8 CNCC1CCOCC1 2230a_106832991635_100000754603 [0,1,0,1,0,0|1,0,0]=3 3405 B9R1.8 CNCC1CCOCC1 269862a_106832991636_100000749017 [0,1,0,1,0,0|1,0,0]=3 3406 B9R1.8 CNCC1CCOCC1 34a_100000746373_200000210301 [0,1,0,1,0,0|1,0,0]=3 3407 B9R1.8 CNCC1CCOCC1 34a_100102657272_100000754603 [0,1,0,1,0,0|1,0,0]=3 3408 B9R1.8 CNCC1CCOCC1 7a_106832991635_100000754603 [0,1,0,1,0,0|1,0,0]=3 3409 B9R1.8 CNCC1CCSCC1 2230a_100015188806_200000210301 [0,1,0,1,0,0|1,1,0]=4 3410 B9R1.8 CNCC1CCSCC1 269862a_106832991636_100000067145 [0,1,0,1,0,0|1,1,0]=4 3411 B9R1.8 CNCC1CCSCC1 270004a_106832991635_100000067145 [0,1,0,1,0,0|1,1,0]=4 3412 B9R1.8 CNCC1CCSCC1 34a_100015188806_200000210301 [0,1,0,1,0,0|1,1,0]=4 3413 B9R1.8 COCC1CCCCC1 34a_100000212181_200000210301 [0,1,0,1,0,0|2,0,0]=4 3414 B9R1.8 COCC1CCCCC1 34a_100138415774_100000211423 [0,1,0,1,0,0|2,0,0]=4 3415 B9R1.8 COCC1CCCCC1 7a_100000212181_200000210301 [0,1,0,1,0,0|2,0,0]=4 3416 B9R1.8 COCC1CCNCC1 34a_100000738675_200000210301 [0,1,0,1,0,0|2,0,0]=4 3417 B9R1.8 COCC1CCOCC1 34a_100000749013_200000210301 [0,1,0,1,0,0|1,0,0]=3 3418 B9R1.8 COCC1CCOCC1 34a_100138415774_100000754603 [0,1,0,1,0,0|1,0,0]=3 3419 B9R1.8 COCC1CCSCC1 34a_100000070558_200000210301 [0,1,0,1,0,0|1,1,0]=4 3420 B9R1.8 COCC1CCSCC1 7a_100000070558_200000210301 [0,1,0,1,0,0|1,1,0]=4 3421 B9R1.8 COCN1CC=CCC1 2230a_100000698166_100000766300 [0,1,0,1,0,0|1,0,1]=4 3422 B9R1.8 COCN1CC=CCC1 269982a_100000698166_100000766300 [0,1,0,1,0,0|1,0,1]=4 3423 B9R1.8 COCN1CCCOC1 2230a_100000131196_100000766300 [0,1,0,1,0,0|2,0,0]=4 3424 B9R1.8 COCN1CCCOC1 269982a_100000131196_100000766300 [0,1,0,1,0,0|2,0,0]=4 3425 B9R1.8 COCN1CCOCC1 2230a_100015191051_100000766300 [0,1,0,1,0,0|0,0,0]=2 3426 B9R1.8 COCN1CCOCC1 269982a_100015191051_100000766300 [0,1,0,1,0,0|0,0,0]=2 3427 B9R1.8 COCN1CCSCC1 2230a_100000737611_100000766300 [0,1,0,1,0,0|0,1,0]=3 3428 B9R1.8 COCN1CCSCC1 269982a_100000737611_100000766300 [0,1,0,1,0,0|0,1,0]=3 3429 B9R1.8 CSCC1CCCCC1 62a_100000211423_200000210301 [0,1,0,1,0,0|2,0,0]=4 3430 B9R1.8 CSCC1CCCCC1 62a_200000210301_100000211423 [0,1,0,1,0,0|2,0,0]=4 3431 B9R1.8 CSCC1CCOCC1 62a_100000754603_200000210301 [0,1,0,1,0,0|1,0,0]=3 3432 B9R1.8 CSCC1CCOCC1 62a_200000210301_100000749018 [0,1,0,1,0,0|1,0,0]=3 3433 B9R1.8 CSCN1CC=CCC1 2230a_100000698166_100011218213 [0,1,0,1,0,0|1,0,1]=4 3434 B9R1.8 CSCN1CC=CCC1 269982a_100000698166_100011218213 [0,1,0,1,0,0|1,0,1]=4 3435 B9R1.8 CSCN1CC=CCC1 34a_100000698166_100011218213 [0,1,0,1,0,0|1,0,1]=4 3436 B9R1.8 CSCN1CCCOC1 2230a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 3437 B9R1.8 CSCN1CCCOC1 269982a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 3438 B9R1.8 CSCN1CCCOC1 34a_100000131196_100011218213 [0,1,0,1,0,0|2,0,0]=4 3439 B9R1.8 CSCN1CCOCC1 2230a_100015191051_100011218213 [0,1,0,1,0,0|0,0,0]=2 3440 B9R1.8 CSCN1CCOCC1 269982a_100015191051_100011218213 [0,1,0,1,0,0|0,0,0]=2 3441 B9R1.8 CSCN1CCOCC1 34a_100015191051_100011218213 [0,1,0,1,0,0|0,0,0]=2 3442 B9R1.8 CSCN1CCSCC1 2230a_100000737611_100011218213 [0,1,0,1,0,0|0,1,0]=3 3443 B9R1.8 CSCN1CCSCC1 269982a_100000737611_100011218213 [0,1,0,1,0,0|0,1,0]=3 3444 B9R1.8 FCCN1CC=CCC1 2230a_100000698166_100011217306 [0,1,0,1,0,0|1,0,1]=4 3445 B9R1.8 FCCN1CC=CCC1 269982a_100000698166_100011217306 [0,1,0,1,0,0|1,0,1]=4 3446 B9R1.8 FCCN1CC=CCC1 34a_100000698166_100011217306 [0,1,0,1,0,0|1,0,1]=4 3447 B9R1.8 FCCN1CCCOC1 2230a_100000131196_100011217306 [0,1,0,1,0,0|1,0,0]=3 3448 B9R1.8 FCCN1CCCOC1 269982a_100000131196_100011217306 [0,1,0,1,0,0|1,0,0]=3 3449 B9R1.8 FCCN1CCCOC1 34a_100000131196_100011217306 [0,1,0,1,0,0|1,0,0]=3 3450 B9R1.8 FCCN1CCOCC1 2230a_100015191051_100011217306 [0,1,0,1,0,0|0,0,0]=2 3451 B9R1.8 FCCN1CCOCC1 269982a_100015191051_100011217306 [0,1,0,1,0,0|0,0,0]=2 3452 B9R1.8 FCCN1CCOCC1 34a_100015191051_100011217306 [0,1,0,1,0,0|0,0,0]=2 3453 B9R1.8 FCCN1CCSCC1 2230a_100000737611_100011217306 [0,1,0,1,0,0|0,1,0]=3 3454 B9R1.8 FCCN1CCSCC1 269982a_100000737611_100011217306 [0,1,0,1,0,0|0,1,0]=3 3455 B9R1.8 FCNC1CCOCC1 34a_100000741149_100015361967 [0,1,0,1,0,0|2,0,0]=4 3456 B9R1.8 FCOC1CCOCC1 34a_100000744328_100015361967 [0,1,0,1,0,0|2,0,0]=4 3457 B9R1.8 FCSC1CCOCC1 62a_100015361967_100011324220 [0,1,0,1,0,0|2,0,0]=4 3458 B9R1.8 N#CCN1CCCOC1 2230a_100000131196_100011215382 [0,1,0,1,0,0|1,0,1]=4 3459 B9R1.8 N#CCN1CCCOC1 269982a_100000131196_100011214920 [0,1,0,1,0,0|1,0,1]=4 3460 B9R1.8 N#CCN1CCOCC1 2230a_100015191051_100011215382 [0,1,0,1,0,0|0,0,1]=3 3461 B9R1.8 N#CCN1CCOCC1 269982a_100015191051_100011214920 [0,1,0,1,0,0|0,0,1]=3 3462 B9R1.8 N#CCN1CCSCC1 2230a_100000737611_100011215382 [0,1,0,1,0,0|0,1,1]=4 3463 B9R1.8 N#CCN1CCSCC1 269982a_100000737611_100011214920 [0,1,0,1,0,0|0,1,1]=4 3464 B9R1.8 O=CCN1CCCOC1 2230a_100000131196_200015260668 [0,1,0,1,0,0|0,0,2]=4 3465 B9R1.8 O=CCN1CCCOC1 269982a_100000131196_200015260668 [0,1,0,1,0,0|0,0,2]=4 3466 B9R1.8 O=CCN1CCCOC1 34a_100000131196_200009817547 [0,1,0,1,0,0|0,0,2]=4 3467 B9R1.8 O=CCN1CCOCC1 2230a_100015191051_200015260668 [0,1,0,1,0,0|0,0,1]=3 3468 B9R1.8 O=CCN1CCOCC1 269982a_100015191051_200015260668 [0,1,0,1,0,0|0,0,1]=3 3469 B9R1.8 O=CCN1CCOCC1 34a_100015191051_200009817547 [0,1,0,1,0,0|0,0,1]=3 3470 B9R1.8 O=CCN1CCSCC1 2230a_100000737611_200015260668 [0,1,0,1,0,0|0,0,2]=4 3471 B9R1.8 O=CCN1CCSCC1 269982a_100000737611_200015260668 [0,1,0,1,0,0|0,0,2]=4 3472 B9R1.8 OCCN1CC=CCC1 2230a_100000698166_100000211926 [0,1,0,1,0,0|0,0,1]=3 3473 B9R1.8 OCCN1CC=CCC1 269982a_100000698166_100000211926 [0,1,0,1,0,0|0,0,1]=3 3474 B9R1.8 OCCN1CC=CCC1 34a_100000698166_100000211926 [0,1,0,1,0,0|0,0,1]=3 3475 B9R1.8 OCCN1CCCOC1 2230a_100000131196_100000211926 [0,1,0,1,0,0|0,0,0]=2 3476 B9R1.8 OCCN1CCCOC1 269982a_100000131196_100000211926 [0,1,0,1,0,0|0,0,0]=2 3477 B9R1.8 OCCN1CCCOC1 34a_100000131196_100000211926 [0,1,0,1,0,0|0,0,0]=2 3478 B9R1.8 OCCN1CCOCC1 2230a_100015191051_100000211926 [0,1,0,1,0,0|0,0,0]=2 3479 B9R1.8 OCCN1CCOCC1 269982a_100015191051_100000211926 [0,1,0,1,0,0|0,0,0]=2 3480 B9R1.8 OCCN1CCOCC1 34a_100015191051_100000211926 [0,1,0,1,0,0|0,0,0]=2 3481 B9R1.8 OCCN1CCSCC1 2230a_100000737611_100000211926 [0,1,0,1,0,0|0,0,0]=2 3482 B9R1.8 OCCN1CCSCC1 269982a_100000737611_100000211926 [0,1,0,1,0,0|0,0,0]=2 3483 B9R1.8 [13CH3]NCC1CCCCC1 2230a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 3484 B9R1.8 [13CH3]NCC1CCCCC1 34a_100000210473_200025704644 [0,1,0,1,0,0|2,0,0]=4 3485 B9R1.8 [13CH3]NCC1CCOCC1 2230a_100000746373_200025704644 [0,1,0,1,0,0|1,0,0]=3 3486 B9R1.8 [13CH3]NCC1CCOCC1 34a_100000746373_200025704644 [0,1,0,1,0,0|1,0,0]=3 3487 B9R1.8 [13CH3]NCC1CCSCC1 2230a_100015188806_200025704644 [0,1,0,1,0,0|1,1,0]=4 3488 B9R1.8 [13CH3]NCC1CCSCC1 34a_100015188806_200025704644 [0,1,0,1,0,0|1,1,0]=4 3489 B9R1.8 [13CH3]OCC1CCCCC1 34a_100000212181_200025704644 [0,1,0,1,0,0|2,0,0]=4 3490 B9R1.8 [13CH3]OCC1CCCCC1 7a_100000212181_200025704644 [0,1,0,1,0,0|2,0,0]=4 3491 B9R1.8 [13CH3]OCC1CCNCC1 34a_100000738675_200025704644 [0,1,0,1,0,0|2,0,0]=4 3492 B9R1.8 [13CH3]OCC1CCOCC1 34a_100000749013_200025704644 [0,1,0,1,0,0|1,0,0]=3 3493 B9R1.8 [13CH3]OCC1CCSCC1 34a_100000070558_200025704644 [0,1,0,1,0,0|1,1,0]=4 3494 B9R1.8 [13CH3]OCC1CCSCC1 7a_100000070558_200025704644 [0,1,0,1,0,0|1,1,0]=4 3495 B9R1.8 [13CH3]SCC1CCCCC1 62a_100000211423_200025704644 [0,1,0,1,0,0|2,0,0]=4 3496 B9R1.8 [13CH3]SCC1CCCCC1 62a_200025704644_100000211423 [0,1,0,1,0,0|2,0,0]=4 3497 B9R1.8 [13CH3]SCC1CCOCC1 62a_100000754603_200025704644 [0,1,0,1,0,0|1,0,0]=3 3498 B9R1.8 [13CH3]SCC1CCOCC1 62a_200025704644_100000749018 [0,1,0,1,0,0|1,0,0]=3 3499 B9R1.23 CCN1C[C@@H]([C@H](C1)F)O 2230a_100020590056_100000210202 [0,1,0,1,0,0|0,0,0]=2 3500 B9R1.23 CCN1C[C@@H]([C@H](C1)F)O 269982a_100020590056_100000204670 [0,1,0,1,0,0|0,0,0]=2 3501 B9R1.23 CCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100000204670 [0,1,0,1,0,0|1,0,0]=3 3502 B9R1.23 CCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100000210202 [0,1,0,1,0,0|1,0,0]=3 3503 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,1,0,1,0,0|0,0,0]=2 3504 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,1,0,1,0,0|0,0,0]=2 3505 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210202 [0,1,0,1,0,0|0,0,0]=2 3506 B9R1.23 CCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000204670 [0,1,0,1,0,0|0,0,0]=2 3507 B9R1.23 C[C@@H]1CN(C[C@@H]1O)CF 269982a_200015306588_100015361967 [0,1,0,1,0,0|1,0,0]=3 3508 B9R1.23 FCN1C[C@H]([C@H](C1)F)F 269982a_100103146936_100015361967 [0,1,0,1,0,0|2,0,0]=4 3509 B9R1.23 FCN1C[C@H]([C@H](C1)F)F 34a_100103146936_100015361967 [0,1,0,1,0,0|2,0,0]=4 3510 B9R1.23 O[C@@H]1CN(C[C@@H]1O)CF 269982a_100015207562_100015361967 [0,1,0,1,0,0|1,0,0]=3 3511 B9R1.23 O[C@H]1CN(C[C@@H]1F)CF 269982a_100020590056_100015361967 [0,1,0,1,0,0|1,0,0]=3 3512 B9R1.135 C#CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000038162 [0,1,0,1,0,0|0,0,1]=3 3513 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210623 [0,1,0,1,0,0|0,0,1]=3 3514 B9R1.135 C=CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210623 [0,1,0,1,0,0|0,0,1]=3 3515 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|0,0,0]=2 3516 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|0,0,0]=2 3517 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766300 [0,1,0,1,0,0|0,0,0]=2 3518 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766300 [0,1,0,1,0,0|0,0,0]=2 3519 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218213 [0,1,0,1,0,0|0,0,0]=2 3520 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218213 [0,1,0,1,0,0|0,0,0]=2 3521 B9R1.135 C[C@H]1[C@H](CN1CC#N)O 2230a_206633788156_100011215382 [0,1,0,1,0,0|0,0,1]=3 3522 B9R1.135 C[C@H]1[C@H](CN1CC#N)O 269982a_206633788156_100011214920 [0,1,0,1,0,0|0,0,1]=3 3523 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 2230a_206633788156_200015260668 [0,1,0,1,0,0|0,0,1]=3 3524 B9R1.135 C[C@H]1[C@H](CN1CC=O)O 269982a_206633788156_200015260668 [0,1,0,1,0,0|0,0,1]=3 3525 B9R1.135 C[C@H]1[C@H](CN1CCF)O 2230a_206633788156_100011217306 [0,1,0,1,0,0|0,0,0]=2 3526 B9R1.135 C[C@H]1[C@H](CN1CCF)O 269982a_206633788156_100011217306 [0,1,0,1,0,0|0,0,0]=2 3527 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,1,0,1,0,0|0,0,0]=2 3528 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,1,0,1,0,0|0,0,0]=2 3529 B9R1.175 CCC1(CCC1)CNC 2230a_100000685557_200000210301 [0,1,0,1,0,0|2,0,0]=4 3530 B9R1.175 CCC1(CCC1)CN[13CH3] 2230a_100000685557_200025704644 [0,1,0,1,0,0|2,0,0]=4 3531 B9R1.182 CCCC1(CC1)NCC 2230a_100015185929_100000210202 [0,1,0,1,0,0|2,0,0]=4 3532 B9R1.118 CC1(CCOCC1)N[13CH3] 2230a_100000692449_200025704644 [0,1,0,1,0,0|2,0,0]=4 3533 B9R1.118 CC1(CCOCC1)N[13CH3] 34a_100000692449_200025704644 [0,1,0,1,0,0|2,0,0]=4 3534 B9R1.118 CC1(CCOCC1)O[13CH3] 34a_100011827762_200025704644 [0,1,0,1,0,0|2,0,0]=4 3535 B9R1.118 CC1(CCOCC1)O[13CH3] 7a_100011827762_200025704644 [0,1,0,1,0,0|2,0,0]=4 3536 B9R1.118 CNC1(CCOCC1)C 2230a_100000692449_200000210301 [0,1,0,1,0,0|2,0,0]=4 3537 B9R1.118 CNC1(CCOCC1)C 34a_100000692449_200000210301 [0,1,0,1,0,0|2,0,0]=4 3538 B9R1.118 COC1(CCOCC1)C 34a_100011827762_200000210301 [0,1,0,1,0,0|2,0,0]=4 3539 B9R1.118 COC1(CCOCC1)C 7a_100011827762_200000210301 [0,1,0,1,0,0|2,0,0]=4 3540 B9R2.47 CCN1CC2CC2C1 2230a_100000741873_100000210202 [0,0,0,2,0,0|1,0,0]=3 3541 B9R2.47 CCN1CC2CC2C1 269982a_100000741873_100000204670 [0,0,0,2,0,0|1,0,0]=3 3542 B9R2.47 CCN1CC2CC2C1 34a_100000741873_100000210202 [0,0,0,2,0,0|1,0,0]=3 3543 B9R2.47 FCN1CC2CC2C1 269982a_100000741873_100015361967 [0,0,0,2,0,0|2,0,0]=4 3544 B9R2.47 FCN1CC2CC2C1 34a_100000741873_100015361967 [0,0,0,2,0,0|2,0,0]=4 3545 B9R2.65 CNC1C2C1COC2 2230a_100000702821_200000210301 [0,0,0,2,0,0|2,0,0]=4 3546 B9R2.65 CNC1C2C1COC2 34a_100000702821_200000210301 [0,0,0,2,0,0|2,0,0]=4 3547 B9R2.65 [13CH3]NC1C2C1COC2 2230a_100000702821_200025704644 [0,0,0,2,0,0|2,0,0]=4 3548 B9R2.65 [13CH3]NC1C2C1COC2 34a_100000702821_200025704644 [0,0,0,2,0,0|2,0,0]=4 3549 B9R2.2 C1CCN(C1)C2CC2 269982a_100000188435_100000211595 [0,0,0,2,0,0|1,0,0]=3 3550 B9R2.2 C1CN(CS1)C2CC2 269982a_100011215254_100000211595 [0,0,0,2,0,0|2,0,0]=4 3551 B9R2.36 CC1CCN1C2CC2 269982a_100000755817_100000211595 [0,0,0,2,0,0|1,0,0]=3 3552 B9R2.36 CC1CCN1C2CC2 34a_100000755817_100000211595 [0,0,0,2,0,0|1,0,0]=3