0 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [0,0,0,0,0,0|1,1,1]=3 7 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [0,0,0,0,0,0|1,1,1]=3 8 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [0,0,0,0,0,0|1,0,1]=2 13 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [0,0,0,0,0,0|1,1,1]=3 15 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [0,0,0,0,0,0|1,1,1]=3 16 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [0,0,0,0,0,0|2,1,0]=3 19 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [0,0,0,0,0,0|2,1,0]=3 20 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [0,0,0,0,0,0|2,0,0]=2 30 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [0,0,0,0,0,0|1,0,0]=1 35 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [0,0,0,0,0,0|1,1,0]=2 38 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [0,0,0,0,0,0|1,1,0]=2 39 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [0,0,0,0,0,0|1,1,0]=2 40 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [0,0,0,0,0,0|1,1,0]=2 41 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [0,0,0,0,0,0|3,0,0]=3 48 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [0,0,0,0,0,0|3,0,0]=3 56 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [0,0,0,0,0,0|3,0,0]=3 58 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [0,0,0,0,0,0|3,0,0]=3 59 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [0,0,0,0,0,0|2,0,0]=2 61 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [0,0,0,0,0,0|2,0,0]=2 62 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [0,0,0,0,0,0|0,1,0]=1 66 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [0,0,0,0,0,0|0,1,0]=1 67 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [0,0,0,0,0,0|0,1,0]=1 68 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [0,0,0,0,0,0|0,1,0]=1 69 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [0,0,0,0,0,0|2,1,0]=3 70 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [0,0,0,0,0,0|2,1,0]=3 71 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [0,0,0,0,0,0|2,1,0]=3 72 B5R0.3 CSC(F)C#N 62a_200000117898_200000210301 [0,0,0,0,0,0|3,1,0]=4 73 B5R0.3 CSC(F)C#N 62a_200000210301_200000117898 [0,0,0,0,0,0|3,1,0]=4 74 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [0,0,0,0,0,0|2,1,0]=3 75 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [0,0,0,0,0,0|2,1,0]=3 76 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [0,0,0,0,0,0|2,1,0]=3 78 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [0,0,0,0,0,0|2,1,0]=3 79 B5R0.3 [13CH3]SC(F)C#N 62a_200000117898_200025704644 [0,0,0,0,0,0|3,1,0]=4 80 B5R0.3 [13CH3]SC(F)C#N 62a_200025704644_200000117898 [0,0,0,0,0,0|3,1,0]=4 81 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [1,0,0,0,0,0|1,0,0]=2 82 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [1,0,0,0,0,0|1,0,0]=2 83 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [1,0,0,0,0,0|0,0,0]=1 84 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [1,0,0,0,0,0|0,1,0]=2 85 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [1,0,0,0,0,0|0,1,0]=2 86 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [1,0,0,0,0,0|1,0,2]=4 88 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [1,0,0,0,0,0|2,0,0]=3 93 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CN(C)CF 269982a_100102631434_100015361967 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [1,0,0,0,0,0|1,0,2]=4 98 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [1,0,0,0,0,0|1,0,2]=4 99 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [1,0,0,0,0,0|1,0,2]=4 100 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [1,0,0,0,0,0|1,0,0]=2 101 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [1,0,0,0,0,0|1,0,0]=2 103 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 COC(C)C 34a_100000212225_200000210301 [1,0,0,0,0,0|0,0,0]=1 106 B4R0.1 COC(C)C 34a_100138415774_100000210206 [1,0,0,0,0,0|0,0,0]=1 107 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [1,0,0,0,0,0|0,1,0]=2 108 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [1,0,0,0,0,0|0,1,0]=2 109 B4R0.2 C#CCNC 2230a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 C#CCNC 34a_100000212058_200000210301 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.2 C#CCNC 34a_100102657272_100000184674 [1,0,0,0,0,0|2,0,1]=4 112 B4R0.2 C#CCNC 7a_106832991635_100000038162 [1,0,0,0,0,0|2,0,1]=4 113 B4R0.2 C#CCN[13CH3] 34a_100000212058_200025704644 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.2 C#CCOC 34a_100000210247_200000210301 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.2 C#CCOC 34a_100138415774_100000184674 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.2 C#CCO[13CH3] 34a_100000210247_200025704644 [1,0,0,0,0,0|1,0,1]=3 117 B4R0.2 C#CCSC 62a_100000038162_200000210301 [1,0,0,0,0,0|1,1,1]=4 118 B4R0.2 C#CCS[13CH3] 62a_100000038162_200025704644 [1,0,0,0,0,0|1,1,1]=4 119 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [1,0,0,0,0,0|2,0,1]=4 121 B4R0.2 C=CCNC 34a_100102657272_100015514636 [1,0,0,0,0,0|2,0,1]=4 122 B4R0.2 C=CCNC 7a_106832991635_100015514636 [1,0,0,0,0,0|2,0,1]=4 123 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [1,0,0,0,0,0|2,0,1]=4 124 B4R0.2 C=CCOC 34a_100138415774_100015514636 [1,0,0,0,0,0|1,0,1]=3 125 B4R0.2 C=CCOC 34a_200000210373_200000210301 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.2 C=CCSC 62a_100000210623_200000210301 [1,0,0,0,0,0|1,1,1]=4 128 B4R0.2 C=CCSC 62a_200000210301_100000210623 [1,0,0,0,0,0|1,1,1]=4 129 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [1,0,0,0,0,0|1,1,1]=4 130 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [1,0,0,0,0,0|1,1,1]=4 131 B4R0.2 CCCNC 2230a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 132 B4R0.2 CCCNC 34a_100102657272_100000210303 [1,0,0,0,0,0|2,0,0]=3 133 B4R0.2 CCCNC 7a_106832991635_100000210303 [1,0,0,0,0,0|2,0,0]=3 134 B4R0.2 CCCOC 34a_100000210258_200000210301 [1,0,0,0,0,0|1,0,0]=2 135 B4R0.2 CCCOC 34a_100138415774_100000210303 [1,0,0,0,0,0|1,0,0]=2 136 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [1,0,0,0,0,0|1,0,0]=2 137 B4R0.2 CCCSC 62a_100000210303_200000210301 [1,0,0,0,0,0|1,1,0]=3 138 B4R0.2 CCCSC 62a_200000210301_100000210303 [1,0,0,0,0,0|1,1,0]=3 139 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [1,0,0,0,0,0|1,1,0]=3 140 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [1,0,0,0,0,0|1,1,0]=3 141 B4R0.2 CCNCC 2230a_100015525214_100000210202 [1,0,0,0,0,0|3,0,0]=4 142 B4R0.2 CCOCC 34a_100121572206_100000210202 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.2 CCSCC 62a_100000210202_100000210202 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.2 CNCC#N 2230a_106832991635_100011215382 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.2 CNCC#N 7a_106832991635_100011215382 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.2 CNCC=O 34a_100102657272_200009817547 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.2 CNCC=O 7a_106832991635_200015260668 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.2 CNCCF 2230a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.2 CNCCF 34a_100000724931_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.2 CNCCF 34a_100102657272_100011217306 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.2 CNCCF 7a_106832991635_100011217306 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.2 CNCCO 2230a_100016997473_200000210301 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 CNCCO 2230a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 CNCCO 34a_100016990907_200000210301 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.2 CNCCO 34a_100102657272_100000211926 [1,0,0,0,0,0|3,0,0]=4 157 B4R0.2 CNCCO 7a_106832991635_100000211926 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.2 CNCOC 2230a_106832991635_100000766300 [1,0,0,0,0,0|1,0,0]=2 159 B4R0.2 CNCSC 2230a_106832991635_100011218213 [1,0,0,0,0,0|1,1,0]=3 160 B4R0.2 CNCSC 34a_100102657272_100011218213 [1,0,0,0,0,0|1,1,0]=3 161 B4R0.2 COCC=O 34a_100138415774_200009817547 [1,0,0,0,0,0|2,0,0]=3 162 B4R0.2 COCCBr 34a_100000211926_200000210301 [1,0,0,0,0,0|2,0,0]=3 163 B4R0.2 COCCF 34a_100138415774_100011217306 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.2 COCCN 34a_100000210304_200000210301 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.2 COCCO 34a_100138415774_100000211926 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.2 COCSC 34a_100138415774_100011218213 [1,0,0,0,0,0|0,1,0]=2 167 B4R0.2 COCSC 62a_100000766300_200000210301 [1,0,0,0,0,0|0,1,0]=2 168 B4R0.2 COCSC 62a_200000210301_100000766300 [1,0,0,0,0,0|0,1,0]=2 169 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [1,0,0,0,0,0|0,1,0]=2 170 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [1,0,0,0,0,0|0,1,0]=2 171 B4R0.2 CSCC#N 62a_100011215382_200000210301 [1,0,0,0,0,0|2,1,0]=4 172 B4R0.2 CSCC#N 62a_200000210301_100011215382 [1,0,0,0,0,0|2,1,0]=4 173 B4R0.2 CSCC=O 62a_200000210301_200015260668 [1,0,0,0,0,0|2,1,0]=4 174 B4R0.2 CSCC=O 62a_200015260668_200000210301 [1,0,0,0,0,0|2,1,0]=4 175 B4R0.2 CSCCF 62a_100011217306_200000210301 [1,0,0,0,0,0|2,1,0]=4 176 B4R0.2 CSCCF 62a_200000210301_100011217306 [1,0,0,0,0,0|2,1,0]=4 177 B4R0.2 CSCCO 62a_100000211926_200000210301 [1,0,0,0,0,0|2,1,0]=4 178 B4R0.2 CSCCO 62a_200000210301_100000211926 [1,0,0,0,0,0|2,1,0]=4 179 B4R0.2 CSCSC 62a_100011218213_200000210301 [1,0,0,0,0,0|0,2,0]=3 180 B4R0.2 CSCSC 62a_200000210301_100011218213 [1,0,0,0,0,0|0,2,0]=3 181 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [1,0,0,0,0,0|0,2,0]=3 182 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [1,0,0,0,0,0|0,2,0]=3 183 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B4R0.2 [13CH3]SCC#N 62a_100011215382_200025704644 [1,0,0,0,0,0|2,1,0]=4 189 B4R0.2 [13CH3]SCC#N 62a_200025704644_100011215382 [1,0,0,0,0,0|2,1,0]=4 190 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [1,0,0,0,0,0|2,1,0]=4 191 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [1,0,0,0,0,0|2,1,0]=4 192 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [1,0,0,0,0,0|2,1,0]=4 193 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [1,0,0,0,0,0|2,1,0]=4 194 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [1,0,0,0,0,0|2,1,0]=4 195 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [1,0,0,0,0,0|2,1,0]=4 196 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.1 C#CC(C)NCF 34a_100000707721_100015361967 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [0,1,0,0,0,0|1,1,1]=4 201 B6R0.1 C#CC(C)SCF 62a_200000035995_100015361967 [0,1,0,0,0,0|1,1,1]=4 202 B6R0.1 C#CCC(C)OC 34a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 203 B6R0.1 C#CCC(C)OC 7a_100000685586_200000210301 [0,1,0,0,0,0|1,0,1]=3 204 B6R0.1 C#CCC(C)O[13CH3] 34a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 205 B6R0.1 C#CCC(C)O[13CH3] 7a_100000685586_200025704644 [0,1,0,0,0,0|1,0,1]=3 206 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [0,1,0,0,0,0|1,0,1]=3 208 B6R0.1 C#C[C@@H](C)OCF 34a_100009815206_100015361967 [0,1,0,0,0,0|1,0,1]=3 209 B6R0.1 C#C[C@@H](C)OCF 7a_100009815206_100015361967 [0,1,0,0,0,0|1,0,1]=3 210 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 215 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [0,1,0,0,0,0|1,0,1]=3 216 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [0,1,0,0,0,0|1,0,1]=3 217 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [0,1,0,0,0,0|1,0,1]=3 218 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [0,1,0,0,0,0|1,1,1]=4 219 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [0,1,0,0,0,0|1,1,1]=4 220 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [0,1,0,0,0,0|1,0,1]=3 222 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [0,1,0,0,0,0|1,0,1]=3 225 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 227 B6R0.1 CC#CC(C)OC 34a_100011216543_200000210301 [0,1,0,0,0,0|1,0,0]=2 228 B6R0.1 CC#CC(C)O[13CH3] 34a_100011216543_200025704644 [0,1,0,0,0,0|1,0,0]=2 229 B6R0.1 CC(C#N)OCF 34a_100011218135_100015361967 [0,1,0,0,0,0|2,0,0]=3 230 B6R0.1 CC(C#N)SCF 62a_100000703298_100015361967 [0,1,0,0,0,0|2,1,0]=4 231 B6R0.1 CC(C#N)SCF 62a_100015361967_100000703298 [0,1,0,0,0,0|2,1,0]=4 232 B6R0.1 CC(CC#N)S[13CH3] 62a_100009813641_200025704644 [0,1,0,0,0,0|1,1,1]=4 233 B6R0.1 CC(CC#N)S[13CH3] 62a_200025704644_100009813641 [0,1,0,0,0,0|1,1,1]=4 234 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [0,1,0,0,0,0|1,1,0]=3 236 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [0,1,0,0,0,0|1,1,0]=3 237 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [0,1,0,0,0,0|2,0,0]=3 239 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [0,1,0,0,0,0|2,0,0]=3 241 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [0,1,0,0,0,0|2,1,0]=4 243 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [0,1,0,0,0,0|2,0,1]=4 246 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [0,1,0,0,0,0|2,0,0]=3 247 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [0,1,0,0,0,0|2,0,0]=3 250 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [0,1,0,0,0,0|1,0,0]=2 253 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [0,1,0,0,0,0|1,1,0]=3 254 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [0,1,0,0,0,0|1,1,0]=3 255 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [0,1,0,0,0,0|1,1,0]=3 256 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [0,1,0,0,0,0|1,1,0]=3 257 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [0,1,0,0,0,0|1,1,0]=3 259 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [0,1,0,0,0,0|1,1,0]=3 260 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 262 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [0,1,0,0,0,0|3,0,0]=4 263 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [0,1,0,0,0,0|3,0,0]=4 264 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [0,1,0,0,0,0|3,0,0]=4 265 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [0,1,0,0,0,0|2,0,0]=3 266 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [0,1,0,0,0,0|2,1,0]=4 267 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [0,1,0,0,0,0|2,1,0]=4 268 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [0,1,0,0,0,0|2,1,0]=4 269 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [0,1,0,0,0,0|2,1,0]=4 270 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [0,1,0,0,0,0|2,0,0]=3 271 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [0,1,0,0,0,0|2,0,0]=3 274 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [0,1,0,0,0,0|2,0,0]=3 275 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [0,1,0,0,0,0|1,0,0]=2 278 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [0,1,0,0,0,0|1,0,0]=2 279 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [0,1,0,0,0,0|1,0,0]=2 281 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [0,1,0,0,0,0|1,1,0]=3 282 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [0,1,0,0,0,0|1,1,0]=3 283 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [0,1,0,0,0,0|1,1,0]=3 284 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [0,1,0,0,0,0|1,1,0]=3 285 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 286 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [0,1,0,0,0,0|3,0,0]=4 288 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [0,1,0,0,0,0|3,0,0]=4 290 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 292 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [0,1,0,0,0,0|3,0,0]=4 295 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 298 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [0,1,0,0,0,0|3,0,0]=4 299 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [0,1,0,0,0,0|3,0,0]=4 300 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [0,1,0,0,0,0|3,0,0]=4 301 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [0,1,0,0,0,0|2,0,0]=3 303 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [0,1,0,0,0,0|2,1,0]=4 304 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [0,1,0,0,0,0|2,1,0]=4 305 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [0,1,0,0,0,0|3,0,0]=4 309 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [0,1,0,0,0,0|3,0,0]=4 312 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [0,1,0,0,0,0|3,0,0]=4 313 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [0,1,0,0,0,0|1,0,0]=2 315 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [0,1,0,0,0,0|2,1,0]=4 321 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [0,1,0,0,0,0|2,1,0]=4 322 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [0,1,0,0,0,0|1,1,0]=3 323 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [0,1,0,0,0,0|1,1,0]=3 324 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [0,1,0,0,0,0|2,1,0]=4 325 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [0,1,0,0,0,0|0,1,0]=2 326 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [0,1,0,0,0,0|0,1,0]=2 327 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [0,1,0,0,0,0|2,1,0]=4 328 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [0,1,0,0,0,0|2,1,0]=4 329 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 330 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [0,1,0,0,0,0|2,0,0]=3 331 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [0,1,0,0,0,0|1,0,0]=2 333 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [0,1,0,0,0,0|1,0,0]=2 335 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [0,1,0,0,0,0|1,1,0]=3 336 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [0,1,0,0,0,0|1,1,0]=3 337 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [0,1,0,0,0,0|1,1,0]=3 338 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [0,1,0,0,0,0|1,1,0]=3 339 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.1 CNC(C)CC#N 2230a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.1 CNC(C)CC#N 7a_106832991635_100009813641 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [0,1,0,0,0,0|2,0,0]=3 349 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [0,1,0,0,0,0|2,0,0]=3 350 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [0,1,0,0,0,0|2,0,0]=3 351 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [0,1,0,0,0,0|1,0,0]=2 352 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [0,1,0,0,0,0|1,0,0]=2 353 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [0,1,0,0,0,0|1,0,0]=2 354 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [0,1,0,0,0,0|1,0,0]=2 355 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [0,1,0,0,0,0|1,1,0]=3 356 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [0,1,0,0,0,0|2,0,1]=4 357 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [0,1,0,0,0,0|2,0,1]=4 358 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [0,1,0,0,0,0|2,0,1]=4 359 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [0,1,0,0,0,0|3,0,0]=4 360 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 361 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [0,1,0,0,0,0|3,0,0]=4 362 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [0,1,0,0,0,0|3,0,0]=4 363 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [0,1,0,0,0,0|1,0,0]=2 364 B6R0.1 CN[C@@H](C)CC#N 2230a_100016994482_200000210301 [0,1,0,0,0,0|2,0,1]=4 365 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [0,1,0,0,0,0|2,0,0]=3 366 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [0,1,0,0,0,0|2,0,0]=3 367 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [0,1,0,0,0,0|1,0,0]=2 368 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [0,1,0,0,0,0|1,1,1]=4 369 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [0,1,0,0,0,0|1,1,1]=4 370 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [0,1,0,0,0,0|1,1,1]=4 371 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [0,1,0,0,0,0|1,1,1]=4 372 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [0,1,0,0,0,0|1,0,0]=2 373 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [0,1,0,0,0,0|1,0,0]=2 374 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [0,1,0,0,0,0|0,0,0]=1 375 B6R0.1 COC(C)SCF 62a_100009879195_100015361967 [0,1,0,0,0,0|0,1,0]=2 376 B6R0.1 COC(C)SCF 62a_100015361967_100009879195 [0,1,0,0,0,0|0,1,0]=2 377 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [0,1,0,0,0,0|1,0,1]=3 378 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [0,1,0,0,0,0|2,0,0]=3 379 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [0,1,0,0,0,0|0,0,0]=1 380 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [0,1,0,0,0,0|0,0,0]=1 381 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [0,1,0,0,0,0|0,1,0]=2 382 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [0,1,0,0,0,0|0,1,0]=2 383 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [0,1,0,0,0,0|0,1,0]=2 384 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [0,1,0,0,0,0|0,1,0]=2 385 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [0,1,0,0,0,0|3,0,0]=4 386 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [0,1,0,0,0,0|3,0,0]=4 387 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [0,1,0,0,0,0|1,0,0]=2 389 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [0,1,0,0,0,0|0,0,0]=1 390 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [0,1,0,0,0,0|0,0,0]=1 391 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [0,1,0,0,0,0|3,0,0]=4 393 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [0,1,0,0,0,0|3,0,0]=4 394 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [0,1,0,0,0,0|1,0,0]=2 395 B6R0.1 CSC(C)CC#N 62a_100009813641_200000210301 [0,1,0,0,0,0|1,1,1]=4 396 B6R0.1 CSC(C)CC#N 62a_200000210301_100009813641 [0,1,0,0,0,0|1,1,1]=4 397 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [0,1,0,0,0,0|1,1,0]=3 398 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [0,1,0,0,0,0|1,1,0]=3 399 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [0,1,0,0,0,0|2,1,0]=4 400 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [0,1,0,0,0,0|2,1,0]=4 401 B6R0.1 C[C@@H](CC#N)N[13CH3] 2230a_100016994482_200025704644 [0,1,0,0,0,0|2,0,1]=4 402 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [0,1,0,0,0,0|2,1,0]=4 403 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [0,1,0,0,0,0|2,1,0]=4 404 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [0,1,0,0,0,0|2,0,0]=3 406 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [0,1,0,0,0,0|2,1,0]=4 407 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [0,1,0,0,0,0|2,1,0]=4 408 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [0,1,0,0,0,0|3,0,0]=4 410 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,1,0,0,0,0|2,0,1]=4 411 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,1,0,0,0,0|2,0,1]=4 412 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,1,0,0,0,0|2,0,1]=4 413 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,1,0,0,0,0|2,0,0]=3 414 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,1,0,0,0,0|2,0,1]=4 415 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,1,0,0,0,0|2,0,1]=4 416 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [0,1,0,0,0,0|2,0,1]=4 417 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,1,0,0,0,0|3,0,0]=4 418 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,1,0,0,0,0|3,0,0]=4 419 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,1,0,0,0,0|1,0,0]=2 420 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,1,0,0,0,0|1,1,0]=3 421 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,1,0,0,0,0|1,1,0]=3 422 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,1,0,0,0,0|3,0,0]=4 423 B6R0.3 CC(C#N)N(C)C 2230a_100102631434_100000184139 [0,1,0,0,0,0|3,0,0]=4 424 B6R0.3 CC(C#N)N(C)C 269982a_100102631434_100000703298 [0,1,0,0,0,0|3,0,0]=4 425 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,1,0,0,0,0|2,0,0]=3 426 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,1,0,0,0,0|1,0,0]=2 427 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,1,0,0,0,0|3,0,0]=4 428 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,1,0,0,0,0|3,0,0]=4 429 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,1,0,0,0,0|3,0,0]=4 430 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,1,0,0,0,0|3,0,0]=4 431 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,1,0,0,0,0|3,0,0]=4 432 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,1,0,0,0,0|2,1,0]=4 433 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,1,0,0,0,0|2,1,0]=4 434 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,1,0,0,0,0|2,0,0]=3 435 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,1,0,0,0,0|2,0,0]=3 437 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 439 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,1,0,0,0,0|2,0,0]=3 441 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 442 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,1,0,0,0,0|3,0,0]=4 444 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,1,0,0,0,0|3,0,0]=4 445 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 446 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 447 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,1,0,0,0,0|3,0,0]=4 448 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,1,0,0,0,0|3,0,0]=4 449 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 450 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 451 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,1,0,0,0,0|3,0,0]=4 452 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,1,0,0,0,0|3,0,0]=4 453 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,1,0,0,0,0|3,0,0]=4 454 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 455 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,1,0,0,0,0|3,0,0]=4 456 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,1,0,0,0,0|2,0,0]=3 457 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,1,0,0,0,0|2,0,0]=3 458 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 459 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,1,0,0,0,0|3,0,0]=4 460 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,1,0,0,0,0|3,0,0]=4 461 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,1,0,0,0,0|2,0,0]=3 462 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,1,0,0,0,0|3,0,0]=4 463 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 464 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,1,0,0,0,0|3,0,0]=4 465 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,1,0,0,0,0|1,0,0]=2 466 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,1,0,0,0,0|1,0,0]=2 467 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,1,0,0,0,0|2,0,0]=3 468 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,1,0,0,0,0|1,0,0]=2 469 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,1,0,0,0,0|1,0,0]=2 470 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,1,0,0,0,0|1,0,0]=2 471 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,1,0,0,0,0|3,0,0]=4 472 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,1,0,0,0,0|3,0,0]=4 473 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,1,0,0,0,0|2,0,0]=3 474 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,1,0,0,0,0|2,0,0]=3 475 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,1,0,0,0,0|2,0,0]=3 476 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,1,0,0,0,0|1,1,0]=3 477 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,1,0,0,0,0|1,1,0]=3 478 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,1,0,0,0,0|1,1,0]=3 479 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,1,0,0,0,0|2,1,0]=4 480 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,1,0,0,0,0|2,1,0]=4 481 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,1,0,0,0,0|1,1,0]=3 482 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 483 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,1,0,0,0,0|3,0,0]=4 484 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,1,0,0,0,0|2,0,0]=3 485 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,1,0,0,0,0|2,0,0]=3 486 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,1,0,0,0,0|3,0,0]=4 487 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,1,0,0,0,0|3,0,0]=4 488 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B6R0.8 C#CC(C)(C)NC 34a_100000054563_200000210301 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.8 C#CC(C)(C)NC 34a_100102657272_100000038118 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.8 C#CC(C)(C)N[13CH3] 34a_100000054563_200025704644 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.8 C#CC(C)(C)OC 34a_100000189450_200000210301 [0,1,0,0,0,0|1,0,1]=3 493 B6R0.8 C#CC(C)(C)OC 34a_100138415774_100000038118 [0,1,0,0,0,0|1,0,1]=3 494 B6R0.8 C#CC(C)(C)OC 7a_100000189450_200000210301 [0,1,0,0,0,0|1,0,1]=3 495 B6R0.8 C#CC(C)(C)O[13CH3] 34a_100000189450_200025704644 [0,1,0,0,0,0|1,0,1]=3 496 B6R0.8 C#CC(C)(C)O[13CH3] 7a_100000189450_200025704644 [0,1,0,0,0,0|1,0,1]=3 497 B6R0.8 C#CC(C)(C)SC 62a_100000038118_200000210301 [0,1,0,0,0,0|1,1,1]=4 498 B6R0.8 C#CC(C)(C)SC 62a_200000210301_100000038118 [0,1,0,0,0,0|1,1,1]=4 499 B6R0.8 C#CC(C)(C)S[13CH3] 62a_100000038118_200025704644 [0,1,0,0,0,0|1,1,1]=4 500 B6R0.8 C#CC(C)(C)S[13CH3] 62a_200025704644_100000038118 [0,1,0,0,0,0|1,1,1]=4 501 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [0,1,0,0,0,0|1,0,1]=3 502 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.8 CC(C)(C#N)O[13CH3] 34a_200015195151_200025704644 [0,1,0,0,0,0|2,0,0]=3 506 B6R0.8 CC(C)(C#N)S[13CH3] 62a_100011162410_200025704644 [0,1,0,0,0,0|2,1,0]=4 507 B6R0.8 CC(C)(C#N)S[13CH3] 62a_200025704644_100011162410 [0,1,0,0,0,0|2,1,0]=4 508 B6R0.8 CC(C)(CCl)O[13CH3] 7a_100000764493_200025704644 [0,1,0,0,0,0|2,0,0]=3 509 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [0,1,0,0,0,0|3,0,0]=4 510 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [0,1,0,0,0,0|2,0,0]=3 511 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [0,1,0,0,0,0|2,0,0]=3 512 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [0,1,0,0,0,0|2,0,0]=3 513 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [0,1,0,0,0,0|1,0,0]=2 514 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [0,1,0,0,0,0|1,0,0]=2 515 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [0,1,0,0,0,0|1,1,0]=3 516 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [0,1,0,0,0,0|1,1,0]=3 517 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [0,1,0,0,0,0|1,1,0]=3 518 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [0,1,0,0,0,0|1,1,0]=3 519 B6R0.8 CNC(C)(C)C#N 34a_100102657272_100011162410 [0,1,0,0,0,0|3,0,0]=4 520 B6R0.8 CNC(C)(C)C#N 7a_106832991635_100011162410 [0,1,0,0,0,0|3,0,0]=4 521 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [0,1,0,0,0,0|3,0,0]=4 522 B6R0.8 COC(C)(C)C#N 34a_100138415774_100011162410 [0,1,0,0,0,0|2,0,0]=3 523 B6R0.8 COC(C)(C)C#N 34a_200015195151_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B6R0.8 COC(C)(C)CCl 7a_100000764493_200000210301 [0,1,0,0,0,0|2,0,0]=3 525 B6R0.8 CSC(C)(C)C#N 62a_100011162410_200000210301 [0,1,0,0,0,0|2,1,0]=4 526 B6R0.8 CSC(C)(C)C#N 62a_200000210301_100011162410 [0,1,0,0,0,0|2,1,0]=4 527 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,1,0,0,0,0|1,0,1]=3 528 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,1,0,0,0,0|1,0,1]=3 530 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,1,0,0,0,0|1,0,1]=3 531 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,1,0,0,0,0|1,0,2]=4 532 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,1,0,0,0,0|1,0,2]=4 533 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,1,0,0,0,0|1,0,1]=3 534 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,1,0,0,0,0|1,0,1]=3 535 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,1,0,0,0,0|1,0,1]=3 536 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,1,0,0,0,0|1,0,1]=3 537 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,1,0,0,0,0|2,0,0]=3 542 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,1,0,0,0,0|2,0,0]=3 543 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,1,0,0,0,0|2,0,0]=3 544 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,1,0,0,0,0|1,0,0]=2 546 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,1,0,0,0,0|1,0,0]=2 547 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,1,0,0,0,0|1,1,0]=3 548 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,1,0,0,0,0|1,1,0]=3 549 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,1,0,0,0,0|1,1,0]=3 550 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,1,0,0,0,0|1,1,0]=3 551 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,1,0,0,0,0|3,0,0]=4 552 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,1,0,0,0,0|3,0,0]=4 553 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,1,0,0,0,0|3,0,0]=4 554 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,1,0,0,0,0|3,0,0]=4 555 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,1,0,0,0,0|3,0,0]=4 556 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,1,0,0,0,0|2,0,0]=3 558 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,1,0,0,0,0|3,0,0]=4 559 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,1,0,0,0,0|2,0,0]=3 561 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,1,0,0,0,0|2,0,0]=3 562 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,1,0,0,0,0|2,0,0]=3 563 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,1,0,0,0,0|2,0,0]=3 564 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,1,0,0,0,0|2,0,0]=3 565 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,1,0,0,0,0|2,0,0]=3 566 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,1,0,0,0,0|3,0,0]=4 567 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,1,0,0,0,0|2,0,0]=3 568 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,1,0,0,0,0|2,0,0]=3 569 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,1,0,0,0,0|2,0,0]=3 570 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,1,0,0,0,0|2,0,0]=3 571 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,1,0,0,0,0|2,0,0]=3 572 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,1,0,0,0,0|2,0,0]=3 573 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 574 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [0,0,0,1,0,0|3,0,0]=4 575 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 576 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [0,0,0,1,0,0|3,0,0]=4 577 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 578 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [0,0,0,1,0,0|2,0,0]=3 579 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 580 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [0,0,0,1,0,0|2,0,0]=3 581 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [0,0,0,1,0,0|3,0,0]=4 582 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 583 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [0,0,0,1,0,0|2,0,0]=3 584 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [0,0,0,1,0,0|2,0,0]=3 585 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [0,0,0,1,0,0|2,0,0]=3 586 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [0,0,0,1,0,0|3,0,0]=4 587 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [0,0,0,1,0,0|3,0,0]=4 588 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [0,0,0,1,0,0|3,0,0]=4 589 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [0,0,0,1,0,0|1,0,0]=2 590 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [0,0,0,1,0,0|1,0,0]=2 591 B6R1.6 COC1COC1 34a_100138415774_100009818527 [0,0,0,1,0,0|2,0,0]=3 592 B6R1.6 COC1CSC1 7a_100000072292_200000210301 [0,0,0,1,0,0|2,0,0]=3 593 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [0,0,0,1,0,0|1,1,0]=3 594 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [0,0,0,1,0,0|2,1,0]=4 595 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 596 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [0,0,0,1,0,0|2,0,0]=3 597 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [0,0,0,1,0,0|3,0,0]=4 598 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [0,0,0,1,0,0|1,0,0]=2 599 B6R1.6 [13CH3]OC1CSC1 7a_100000072292_200025704644 [0,0,0,1,0,0|2,0,0]=3 600 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [0,0,0,1,0,0|1,1,0]=3 601 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [0,0,0,1,0,0|2,1,0]=4 602 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [0,0,0,1,0,0|2,0,0]=3 603 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [0,0,0,1,0,0|1,0,0]=2 604 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [0,0,0,1,0,0|2,0,0]=3 605 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [0,0,0,1,0,0|1,0,0]=2 606 B6R1.8 CN[C@@H]1C[C@@H]1F 2230a_100015190264_200000210301 [0,0,0,1,0,0|3,0,0]=4 607 B6R1.8 CN[C@@H]1C[C@H]1F 2230a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 608 B6R1.8 CN[C@@H]1C[C@H]1F 34a_100025746932_200000210301 [0,0,0,1,0,0|3,0,0]=4 609 B6R1.8 [13CH3]N[C@@H]1C[C@@H]1F 2230a_100015190264_200025704644 [0,0,0,1,0,0|3,0,0]=4 610 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 2230a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 611 B6R1.8 [13CH3]N[C@@H]1C[C@H]1F 34a_100025746932_200025704644 [0,0,0,1,0,0|3,0,0]=4 612 B3R0.1 CCNC 2230a_100015525214_200000210301 [2,0,0,0,0,0|1,0,0]=3 613 B3R0.1 CCNC 2230a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 614 B3R0.1 CCNC 34a_100102657272_100000210202 [2,0,0,0,0,0|1,0,0]=3 615 B3R0.1 CCNC 7a_106832991635_100000210202 [2,0,0,0,0,0|1,0,0]=3 616 B3R0.1 CCN[13CH3] 2230a_100015525214_200025704644 [2,0,0,0,0,0|1,0,0]=3 617 B3R0.1 CCOC 34a_100121572206_200000210301 [2,0,0,0,0,0|0,0,0]=2 618 B3R0.1 CCOC 34a_100138415774_100000210202 [2,0,0,0,0,0|0,0,0]=2 619 B3R0.1 CCO[13CH3] 34a_100121572206_200025704644 [2,0,0,0,0,0|0,0,0]=2 620 B3R0.1 CCSC 62a_100000210202_200000210301 [2,0,0,0,0,0|0,1,0]=3 621 B3R0.1 CCSC 62a_200000210301_100000210202 [2,0,0,0,0,0|0,1,0]=3 622 B3R0.1 CCS[13CH3] 62a_100000210202_200025704644 [2,0,0,0,0,0|0,1,0]=3 623 B3R0.1 CCS[13CH3] 62a_200025704644_100000210202 [2,0,0,0,0,0|0,1,0]=3 624 B3R0.1 CNCF 34a_100102657272_100015361967 [2,0,0,0,0,0|2,0,0]=4 625 B3R0.1 CNCF 7a_106832991635_100015361967 [2,0,0,0,0,0|2,0,0]=4 626 B3R0.1 COCF 34a_100138415774_100015361967 [2,0,0,0,0,0|1,0,0]=3 627 B3R0.1 CSCF 62a_100015361967_200000210301 [2,0,0,0,0,0|1,1,0]=4 628 B3R0.1 CSCF 62a_200000210301_100015361967 [2,0,0,0,0,0|1,1,0]=4 629 B3R0.1 [13CH3]SCF 62a_100015361967_200025704644 [2,0,0,0,0,0|1,1,0]=4 630 B3R0.1 [13CH3]SCF 62a_200025704644_100015361967 [2,0,0,0,0,0|1,1,0]=4 631 B3R0.2 CC(=O)C 1458a_100000070787_200000210301 [2,0,0,0,0,0|0,0,2]=4 632 B3R0.2 CC(=O)[13CH3] 1458a_100000070787_200025704644 [2,0,0,0,0,0|0,0,2]=4 633 B3R0.2 CN(C)C 2230a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 634 B3R0.2 CN(C)C 269982a_100102631434_200000210301 [2,0,0,0,0,0|1,0,0]=3 635 B3R0.2 CN(C)[13CH3] 2230a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 636 B3R0.2 CN(C)[13CH3] 269982a_100102631434_200025704644 [2,0,0,0,0,0|1,0,0]=3 637 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,1,0,0,0,0|0,0,2]=4 638 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,1,0,0,0,0|0,0,2]=4 639 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,1,0,0,0,0|0,0,2]=4 640 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,1,0,0,0,0|0,0,2]=4 641 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [1,1,0,0,0,0|1,0,0]=3 642 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 643 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [1,1,0,0,0,0|1,0,0]=3 644 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [1,1,0,0,0,0|0,0,0]=2 645 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [1,1,0,0,0,0|0,1,0]=3 646 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [1,1,0,0,0,0|0,1,0]=3 647 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [1,1,0,0,0,0|1,0,0]=3 648 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [1,1,0,0,0,0|0,0,0]=2 649 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [1,1,0,0,0,0|0,1,0]=3 650 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [1,1,0,0,0,0|0,1,0]=3 651 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,1,0,0,0,0|0,1,0]=3 655 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,1,0,0,0,0|0,1,0]=3 656 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 657 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 658 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,1,0,0,0,0|2,0,0]=4 659 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,1,0,0,0,0|2,0,0]=4 660 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 661 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,1,0,0,0,0|2,0,0]=4 662 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [1,1,0,0,0,0|1,0,0]=3 663 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 664 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [1,1,0,0,0,0|0,0,0]=2 666 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [1,1,0,0,0,0|0,0,0]=2 667 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [1,1,0,0,0,0|0,1,0]=3 668 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [1,1,0,0,0,0|0,1,0]=3 669 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [1,1,0,0,0,0|2,0,0]=4 671 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 672 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 673 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 679 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [1,1,0,0,0,0|1,0,0]=3 681 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [1,1,0,0,0,0|1,0,0]=3 682 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [1,1,0,0,0,0|1,0,0]=3 683 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,1,0,0,0,0|1,0,0]=3 686 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 689 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,1,0,0,0,0|1,0,0]=3 691 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,1,0,0,0,0|0,0,2]=4 692 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,1,0,0,0,0|0,0,2]=4 693 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,1,0,0,0,0|0,0,2]=4 694 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [1,1,0,0,0,0|1,0,0]=3 695 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [1,1,0,0,0,0|0,0,0]=2 696 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [1,1,0,0,0,0|0,0,0]=2 697 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [1,1,0,0,0,0|1,0,0]=3 698 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,1,0,0,0,0|0,0,0]=2 699 B5R0.1 COCC(F)F 34a_100000743014_200000210301 [1,1,0,0,0,0|2,0,0]=4 700 B5R0.1 COCC(F)F 34a_100138415774_100011934356 [1,1,0,0,0,0|2,0,0]=4 701 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 702 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [1,1,0,0,0,0|1,0,0]=3 703 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [1,1,0,0,0,0|1,0,0]=3 704 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [1,1,0,0,0,0|1,0,0]=3 705 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,1,0,0,0,0|0,0,0]=2 706 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [1,1,0,0,0,0|0,1,0]=3 707 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [1,1,0,0,0,0|0,1,0]=3 708 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,1,0,0,0,0|0,1,0]=3 709 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,1,0,0,0,0|0,1,0]=3 710 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [1,1,0,0,0,0|1,1,0]=4 711 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [1,1,0,0,0,0|1,1,0]=4 712 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,1,0,0,0,0|0,1,0]=3 713 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,1,0,0,0,0|0,1,0]=3 714 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [1,1,0,0,0,0|1,0,0]=3 715 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [1,1,0,0,0,0|1,0,0]=3 716 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,1,0,0,0,0|0,1,0]=3 717 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,1,0,0,0,0|0,1,0]=3 718 B5R0.1 [13CH3]OCC(F)F 34a_100000743014_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B5R0.4 CC(C)(C)N[13CH3] 2230a_100000715429_200025704644 [1,1,0,0,0,0|1,0,0]=3 720 B5R0.4 CC(C)(C)O[13CH3] 34a_100015890283_200025704644 [1,1,0,0,0,0|0,0,0]=2 721 B5R0.4 CC(C)(C)O[13CH3] 7a_100015890283_200025704644 [1,1,0,0,0,0|0,0,0]=2 722 B5R0.4 CC(C)(C)S[13CH3] 62a_100000211941_200025704644 [1,1,0,0,0,0|0,1,0]=3 723 B5R0.4 CC(C)(C)S[13CH3] 62a_200025704644_100000211941 [1,1,0,0,0,0|0,1,0]=3 724 B5R0.4 CNC(C)(C)C 2230a_100000715429_200000210301 [1,1,0,0,0,0|1,0,0]=3 725 B5R0.4 CNC(C)(C)C 34a_100102657272_100000210625 [1,1,0,0,0,0|1,0,0]=3 726 B5R0.4 COC(C)(C)C 34a_100015890283_200000210301 [1,1,0,0,0,0|0,0,0]=2 727 B5R0.4 COC(C)(C)C 34a_100138415774_100000210625 [1,1,0,0,0,0|0,0,0]=2 728 B5R0.4 COC(C)(C)C 7a_100015890283_200000210301 [1,1,0,0,0,0|0,0,0]=2 729 B5R0.4 COC(F)(F)F 34a_100138415774_200103152311 [1,1,0,0,0,0|2,0,0]=4 730 B5R0.4 CSC(C)(C)C 62a_100000211941_200000210301 [1,1,0,0,0,0|0,1,0]=3 731 B5R0.4 CSC(C)(C)C 62a_200000210301_100000211941 [1,1,0,0,0,0|0,1,0]=3 732 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,1,0,0,0,0|1,0,0]=3 733 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,1,0,0,0,0|1,0,0]=3 734 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,1,0,0,0,0|2,0,0]=4 735 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,1,0,0,0,0|2,0,0]=4 736 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 737 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 738 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,1,0,0,0,0|2,0,0]=4 739 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,1,0,0,0,0|2,0,0]=4 740 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,1,0,0,0,0|1,0,0]=3 741 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 742 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,1,0,0,0,0|1,0,0]=3 743 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,1,0,0,0,0|1,0,0]=3 744 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,1,0,0,0,0|1,0,0]=3 745 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,1,0,0,0,0|1,0,0]=3 746 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,1,0,0,0,0|1,0,0]=3 747 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,1,0,0,0,0|2,0,0]=4 748 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,1,0,0,0,0|1,0,0]=3 749 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 750 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,1,0,0,0,0|2,0,0]=4 751 B5R0.2 C#CCCOC 34a_100011215631_200000210301 [1,1,0,0,0,0|1,0,1]=4 752 B5R0.2 C#CCCOC 34a_100138415774_100000688953 [1,1,0,0,0,0|1,0,1]=4 753 B5R0.2 C#CCCO[13CH3] 34a_100011215631_200025704644 [1,1,0,0,0,0|1,0,1]=4 754 B5R0.2 C#CCOCC 34a_100000210247_100000210202 [1,1,0,0,0,0|1,0,1]=4 755 B5R0.2 C#CCOCC 34a_100121572206_100000184674 [1,1,0,0,0,0|1,0,1]=4 756 B5R0.2 C#CCOCF 34a_100000210247_100015361967 [1,1,0,0,0,0|1,0,1]=4 757 B5R0.2 C/C=C/CNC 34a_100102657272_100102629194 [1,1,0,0,0,0|2,0,0]=4 758 B5R0.2 C/C=C/CNC 7a_106832991635_100102629194 [1,1,0,0,0,0|2,0,0]=4 759 B5R0.2 C/C=C/COC 34a_100016270725_200000210301 [1,1,0,0,0,0|1,0,0]=3 760 B5R0.2 C/C=C/COC 34a_100138415774_100102629194 [1,1,0,0,0,0|1,0,0]=3 761 B5R0.2 C/C=C/CO[13CH3] 34a_100016270725_200025704644 [1,1,0,0,0,0|1,0,0]=3 762 B5R0.2 C/C=C/CSC 62a_100102629194_200000210301 [1,1,0,0,0,0|1,1,0]=4 763 B5R0.2 C/C=C/CSC 62a_200000210301_100102629194 [1,1,0,0,0,0|1,1,0]=4 764 B5R0.2 C/C=C/CS[13CH3] 62a_100102629194_200025704644 [1,1,0,0,0,0|1,1,0]=4 765 B5R0.2 C/C=C/CS[13CH3] 62a_200025704644_100102629194 [1,1,0,0,0,0|1,1,0]=4 766 B5R0.2 C=CCCOC 34a_100011205117_200000210301 [1,1,0,0,0,0|1,0,1]=4 767 B5R0.2 C=CCCOC 34a_100138415774_100000754431 [1,1,0,0,0,0|1,0,1]=4 768 B5R0.2 C=CCCO[13CH3] 34a_100011205117_200025704644 [1,1,0,0,0,0|1,0,1]=4 769 B5R0.2 C=CCOCC 34a_100121572206_100015514636 [1,1,0,0,0,0|1,0,1]=4 770 B5R0.2 C=CCOCC 34a_200000210373_100000210202 [1,1,0,0,0,0|1,0,1]=4 771 B5R0.2 C=CCOCF 34a_200000210373_100015361967 [1,1,0,0,0,0|1,0,1]=4 772 B5R0.2 CC#CCNC 2230a_100000685387_200000210301 [1,1,0,0,0,0|2,0,0]=4 773 B5R0.2 CC#CCNC 2230a_106832991635_100000748600 [1,1,0,0,0,0|2,0,0]=4 774 B5R0.2 CC#CCNC 34a_100000685387_200000210301 [1,1,0,0,0,0|2,0,0]=4 775 B5R0.2 CC#CCNC 34a_100102657272_100000748600 [1,1,0,0,0,0|2,0,0]=4 776 B5R0.2 CC#CCNC 7a_106832991635_100000748600 [1,1,0,0,0,0|2,0,0]=4 777 B5R0.2 CC#CCN[13CH3] 2230a_100000685387_200025704644 [1,1,0,0,0,0|2,0,0]=4 778 B5R0.2 CC#CCN[13CH3] 34a_100000685387_200025704644 [1,1,0,0,0,0|2,0,0]=4 779 B5R0.2 CC#CCOC 34a_100000761923_200000210301 [1,1,0,0,0,0|1,0,0]=3 780 B5R0.2 CC#CCOC 34a_100138415774_100000748600 [1,1,0,0,0,0|1,0,0]=3 781 B5R0.2 CC#CCO[13CH3] 34a_100000761923_200025704644 [1,1,0,0,0,0|1,0,0]=3 782 B5R0.2 CC#CCSC 62a_100000748600_200000210301 [1,1,0,0,0,0|1,1,0]=4 783 B5R0.2 CC#CCSC 62a_200000210301_100000748600 [1,1,0,0,0,0|1,1,0]=4 784 B5R0.2 CC#CCS[13CH3] 62a_100000748600_200025704644 [1,1,0,0,0,0|1,1,0]=4 785 B5R0.2 CC#CCS[13CH3] 62a_200025704644_100000748600 [1,1,0,0,0,0|1,1,0]=4 786 B5R0.2 CC=CCNC 2230a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 787 B5R0.2 CC=CCNC 34a_100102657272_100000070051 [1,1,0,0,0,0|2,0,0]=4 788 B5R0.2 CC=CCNC 7a_106832991635_100000070051 [1,1,0,0,0,0|2,0,0]=4 789 B5R0.2 CC=CCOC 34a_100138415774_100000070051 [1,1,0,0,0,0|1,0,0]=3 790 B5R0.2 CC=CCSC 62a_100000070051_200000210301 [1,1,0,0,0,0|1,1,0]=4 791 B5R0.2 CC=CCSC 62a_200000210301_100000070051 [1,1,0,0,0,0|1,1,0]=4 792 B5R0.2 CC=CCS[13CH3] 62a_100000070051_200025704644 [1,1,0,0,0,0|1,1,0]=4 793 B5R0.2 CC=CCS[13CH3] 62a_200025704644_100000070051 [1,1,0,0,0,0|1,1,0]=4 794 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [1,1,0,0,0,0|2,0,0]=4 795 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 796 B5R0.2 CCCCNC 34a_100102657272_100000210210 [1,1,0,0,0,0|2,0,0]=4 797 B5R0.2 CCCCNC 7a_106832991635_100000210211 [1,1,0,0,0,0|2,0,0]=4 798 B5R0.2 CCCCNC 7a_106832991798_200000210301 [1,1,0,0,0,0|2,0,0]=4 799 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [1,1,0,0,0,0|2,0,0]=4 800 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [1,1,0,0,0,0|2,0,0]=4 801 B5R0.2 CCCCOC 34a_100000210227_200000210301 [1,1,0,0,0,0|1,0,0]=3 802 B5R0.2 CCCCOC 34a_100138415774_100000210210 [1,1,0,0,0,0|1,0,0]=3 803 B5R0.2 CCCCOC 7a_100000210227_200000210301 [1,1,0,0,0,0|1,0,0]=3 804 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [1,1,0,0,0,0|1,0,0]=3 805 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [1,1,0,0,0,0|1,0,0]=3 806 B5R0.2 CCCCSC 62a_100000210211_200000210301 [1,1,0,0,0,0|1,1,0]=4 807 B5R0.2 CCCCSC 62a_200000210301_100000210210 [1,1,0,0,0,0|1,1,0]=4 808 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [1,1,0,0,0,0|1,1,0]=4 809 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [1,1,0,0,0,0|1,1,0]=4 810 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [1,1,0,0,0,0|2,0,0]=4 811 B5R0.2 CCCOCC 34a_100000210258_100000210202 [1,1,0,0,0,0|1,0,0]=3 812 B5R0.2 CCCOCC 34a_100121572206_100000210303 [1,1,0,0,0,0|1,0,0]=3 813 B5R0.2 CCCOCF 34a_100000210258_100015361967 [1,1,0,0,0,0|1,0,0]=3 814 B5R0.2 CCCSCC 62a_100000210202_100000210303 [1,1,0,0,0,0|1,1,0]=4 815 B5R0.2 CCCSCC 62a_100000210303_100000210202 [1,1,0,0,0,0|1,1,0]=4 816 B5R0.2 CCCSCF 62a_100000210303_100015361967 [1,1,0,0,0,0|1,1,0]=4 817 B5R0.2 CCCSCF 62a_100015361967_100000210303 [1,1,0,0,0,0|1,1,0]=4 818 B5R0.2 CCNCOC 2230a_100015525214_100000766300 [1,1,0,0,0,0|1,0,0]=3 819 B5R0.2 CCNCSC 2230a_100015525214_100011218213 [1,1,0,0,0,0|1,1,0]=4 820 B5R0.2 CCOCC=O 34a_100121572206_200009817547 [1,1,0,0,0,0|2,0,0]=4 821 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [1,1,0,0,0,0|2,0,0]=4 822 B5R0.2 CCOCCF 34a_100121572206_100011217306 [1,1,0,0,0,0|2,0,0]=4 823 B5R0.2 CCOCCN 34a_100000210304_100000210202 [1,1,0,0,0,0|2,0,0]=4 824 B5R0.2 CCOCCO 34a_100121572206_100000211926 [1,1,0,0,0,0|2,0,0]=4 825 B5R0.2 CCOCSC 34a_100121572206_100011218213 [1,1,0,0,0,0|0,1,0]=3 826 B5R0.2 CCOCSC 62a_100000739092_200000210301 [1,1,0,0,0,0|0,1,0]=3 827 B5R0.2 CCOCSC 62a_200000210301_100000739092 [1,1,0,0,0,0|0,1,0]=3 828 B5R0.2 CCOCS[13CH3] 62a_100000739092_200025704644 [1,1,0,0,0,0|0,1,0]=3 829 B5R0.2 CCOCS[13CH3] 62a_200025704644_100000739092 [1,1,0,0,0,0|0,1,0]=3 830 B5R0.2 CCSCOC 62a_100000210202_100000766300 [1,1,0,0,0,0|0,1,0]=3 831 B5R0.2 CCSCOC 62a_100000766300_100000210202 [1,1,0,0,0,0|0,1,0]=3 832 B5R0.2 CCSCSC 62a_100000210202_100011218213 [1,1,0,0,0,0|0,2,0]=4 833 B5R0.2 CCSCSC 62a_100011218213_100000210202 [1,1,0,0,0,0|0,2,0]=4 834 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [1,1,0,0,0,0|2,0,0]=4 835 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [1,1,0,0,0,0|2,0,0]=4 836 B5R0.2 CNCCCF 34a_100015189416_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B5R0.2 CNCCCF 34a_100102657272_100011934791 [1,1,0,0,0,0|2,0,0]=4 838 B5R0.2 CNCCCF 7a_106832991635_100011934791 [1,1,0,0,0,0|2,0,0]=4 839 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [1,1,0,0,0,0|2,0,0]=4 840 B5R0.2 CNCCCO 34a_100102657272_100000230001 [1,1,0,0,0,0|2,0,0]=4 841 B5R0.2 CNCCCO 7a_106832991635_100011215043 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.2 CNCCOC 2230a_100000209980_200000210301 [1,1,0,0,0,0|1,0,0]=3 843 B5R0.2 CNCCOC 2230a_106832991635_100011201679 [1,1,0,0,0,0|1,0,0]=3 844 B5R0.2 CNCCOC 34a_100102657272_100011201679 [1,1,0,0,0,0|1,0,0]=3 845 B5R0.2 CNCCOC 7a_106832991635_100000233755 [1,1,0,0,0,0|1,0,0]=3 846 B5R0.2 CNCCSC 2230a_100020590264_200000210301 [1,1,0,0,0,0|1,1,0]=4 847 B5R0.2 CNCCSC 2230a_106832991635_100000751147 [1,1,0,0,0,0|1,1,0]=4 848 B5R0.2 CNCCSC 34a_100102657272_100000212216 [1,1,0,0,0,0|1,1,0]=4 849 B5R0.2 CNCCSC 7a_106832991635_100000212216 [1,1,0,0,0,0|1,1,0]=4 850 B5R0.2 COCCCBr 34a_100011217188_200000210301 [1,1,0,0,0,0|1,0,0]=3 851 B5R0.2 COCCCCl 34a_100000230001_200000210301 [1,1,0,0,0,0|1,0,0]=3 852 B5R0.2 COCCCF 34a_100000759539_200000210301 [1,1,0,0,0,0|1,0,0]=3 853 B5R0.2 COCCCF 34a_100138415774_100011934791 [1,1,0,0,0,0|1,0,0]=3 854 B5R0.2 COCCCN 34a_100000182051_200000210301 [1,1,0,0,0,0|1,0,0]=3 855 B5R0.2 COCCCO 34a_100138415774_100000230001 [1,1,0,0,0,0|1,0,0]=3 856 B5R0.2 COCCN[13CH3] 2230a_100000209980_200025704644 [1,1,0,0,0,0|1,0,0]=3 857 B5R0.2 COCCOC 34a_100000210237_200000210301 [1,1,0,0,0,0|0,0,0]=2 858 B5R0.2 COCCOC 34a_100138415774_100011201679 [1,1,0,0,0,0|0,0,0]=2 859 B5R0.2 COCCON 34a_100000700252_200000210301 [1,1,0,0,0,0|1,0,0]=3 860 B5R0.2 COCCO[13CH3] 34a_100000210237_200025704644 [1,1,0,0,0,0|0,0,0]=2 861 B5R0.2 COCCSC 34a_100000230434_200000210301 [1,1,0,0,0,0|0,1,0]=3 862 B5R0.2 COCCSC 34a_100138415774_100000212216 [1,1,0,0,0,0|0,1,0]=3 863 B5R0.2 COCCSC 62a_100000233755_200000210301 [1,1,0,0,0,0|0,1,0]=3 864 B5R0.2 COCCSC 62a_200000210301_100000233755 [1,1,0,0,0,0|0,1,0]=3 865 B5R0.2 COCCSC 7a_100000230434_200000210301 [1,1,0,0,0,0|0,1,0]=3 866 B5R0.2 COCCS[13CH3] 62a_100000233755_200025704644 [1,1,0,0,0,0|0,1,0]=3 867 B5R0.2 COCCS[13CH3] 62a_200025704644_100000233755 [1,1,0,0,0,0|0,1,0]=3 868 B5R0.2 COCSCF 62a_100000766300_100015361967 [1,1,0,0,0,0|0,1,0]=3 869 B5R0.2 COCSCF 62a_100015361967_100000766300 [1,1,0,0,0,0|0,1,0]=3 870 B5R0.2 CSCCCF 62a_100011934791_200000210301 [1,1,0,0,0,0|1,1,0]=4 871 B5R0.2 CSCCCF 62a_200000210301_100011934791 [1,1,0,0,0,0|1,1,0]=4 872 B5R0.2 CSCCCO 62a_100011215043_200000210301 [1,1,0,0,0,0|1,1,0]=4 873 B5R0.2 CSCCCO 62a_200000210301_100011215043 [1,1,0,0,0,0|1,1,0]=4 874 B5R0.2 CSCCN[13CH3] 2230a_100020590264_200025704644 [1,1,0,0,0,0|1,1,0]=4 875 B5R0.2 CSCCO[13CH3] 34a_100000230434_200025704644 [1,1,0,0,0,0|0,1,0]=3 876 B5R0.2 CSCCO[13CH3] 7a_100000230434_200025704644 [1,1,0,0,0,0|0,1,0]=3 877 B5R0.2 CSCCSC 62a_100000212216_200000210301 [1,1,0,0,0,0|0,2,0]=4 878 B5R0.2 CSCCSC 62a_200000210301_100000751147 [1,1,0,0,0,0|0,2,0]=4 879 B5R0.2 CSCCS[13CH3] 62a_100000212216_200025704644 [1,1,0,0,0,0|0,2,0]=4 880 B5R0.2 CSCCS[13CH3] 62a_200025704644_100000751147 [1,1,0,0,0,0|0,2,0]=4 881 B5R0.2 CSCSCF 62a_100011218213_100015361967 [1,1,0,0,0,0|0,2,0]=4 882 B5R0.2 CSCSCF 62a_100015361967_100011218213 [1,1,0,0,0,0|0,2,0]=4 883 B5R0.2 FCOCCBr 34a_100000211926_100015361967 [1,1,0,0,0,0|2,0,0]=4 884 B5R0.2 NCCOCF 34a_100000210304_100015361967 [1,1,0,0,0,0|2,0,0]=4 885 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [1,1,0,0,0,0|2,0,0]=4 886 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [1,1,0,0,0,0|2,0,0]=4 887 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [1,1,0,0,0,0|1,0,0]=3 888 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [1,1,0,0,0,0|1,0,0]=3 889 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [1,1,0,0,0,0|1,0,0]=3 890 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [1,1,0,0,0,0|1,0,0]=3 891 B5R0.2 [13CH3]OCCON 34a_100000700252_200025704644 [1,1,0,0,0,0|1,0,0]=3 892 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [1,1,0,0,0,0|1,1,0]=4 893 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [1,1,0,0,0,0|1,1,0]=4 894 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [1,1,0,0,0,0|1,1,0]=4 895 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [1,1,0,0,0,0|1,1,0]=4 896 B7R0.2 C#CC(C)OC(C)C 34a_100000212225_200000035995 [0,2,0,0,0,0|1,0,1]=4 897 B7R0.2 C#C[C@@H](C)OC(C)C 34a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 898 B7R0.2 C#C[C@@H](C)OC(C)C 7a_100009815206_100000210206 [0,2,0,0,0,0|1,0,1]=4 899 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [0,2,0,0,0,0|1,0,1]=4 900 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,2,0,0,0,0|1,0,0]=3 901 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,2,0,0,0,0|0,1,0]=3 902 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,2,0,0,0,0|0,1,0]=3 903 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [0,2,0,0,0,0|2,0,0]=4 904 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [0,2,0,0,0,0|1,0,0]=3 906 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [0,2,0,0,0,0|1,1,0]=4 907 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [0,2,0,0,0,0|1,1,0]=4 908 B7R0.2 CC(C)OC(C)C#N 34a_100011218135_100000210206 [0,2,0,0,0,0|2,0,0]=4 909 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [0,2,0,0,0,0|2,0,0]=4 910 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [0,2,0,0,0,0|2,0,0]=4 911 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [0,2,0,0,0,0|2,0,0]=4 912 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [0,2,0,0,0,0|2,0,0]=4 913 B7R0.2 CC(CN(C)C)S[13CH3] 62a_100020606517_200025704644 [0,2,0,0,0,0|1,1,0]=4 914 B7R0.2 CC(CN(C)C)S[13CH3] 62a_200025704644_100020606517 [0,2,0,0,0,0|1,1,0]=4 915 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,2,0,0,0,0|2,0,0]=4 916 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,2,0,0,0,0|2,0,0]=4 917 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,2,0,0,0,0|2,0,0]=4 918 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 919 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 920 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,2,0,0,0,0|2,0,0]=4 921 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,2,0,0,0,0|2,0,0]=4 922 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,2,0,0,0,0|2,0,0]=4 923 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 924 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,2,0,0,0,0|2,0,0]=4 925 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,2,0,0,0,0|2,0,0]=4 926 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,2,0,0,0,0|2,0,0]=4 927 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,2,0,0,0,0|2,0,0]=4 928 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,2,0,0,0,0|2,0,0]=4 929 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,2,0,0,0,0|2,0,0]=4 930 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,2,0,0,0,0|2,0,0]=4 931 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,2,0,0,0,0|2,0,0]=4 932 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,2,0,0,0,0|1,0,0]=3 933 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,2,0,0,0,0|1,0,0]=3 934 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,2,0,0,0,0|1,1,0]=4 935 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,2,0,0,0,0|1,1,0]=4 936 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,2,0,0,0,0|2,0,0]=4 937 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 938 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,2,0,0,0,0|2,0,0]=4 939 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [0,2,0,0,0,0|2,0,0]=4 940 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 941 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [0,2,0,0,0,0|2,0,0]=4 942 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [0,2,0,0,0,0|2,0,0]=4 943 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,2,0,0,0,0|1,0,0]=3 944 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [0,2,0,0,0,0|1,0,0]=3 945 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [0,2,0,0,0,0|1,0,0]=3 946 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [0,2,0,0,0,0|1,0,0]=3 947 B7R0.2 COC(C)SC(C)C 62a_100000210206_100009879195 [0,2,0,0,0,0|0,1,0]=3 948 B7R0.2 COC(C)SC(C)C 62a_100009879195_100000210206 [0,2,0,0,0,0|0,1,0]=3 949 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [0,2,0,0,0,0|1,1,0]=4 950 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [0,2,0,0,0,0|1,1,0]=4 951 B7R0.2 CSC(C)CN(C)C 62a_100020606517_200000210301 [0,2,0,0,0,0|1,1,0]=4 952 B7R0.2 CSC(C)CN(C)C 62a_200000210301_100020606517 [0,2,0,0,0,0|1,1,0]=4 953 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,2,0,0,0,0|0,1,0]=3 954 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,2,0,0,0,0|0,1,0]=3 955 B7R0.3 C#CC(C)NCOC 2230a_100000707721_100000766300 [0,2,0,0,0,0|1,0,1]=4 956 B7R0.3 C#CC(C)OCC=C 34a_200000210373_200000035995 [0,2,0,0,0,0|1,0,1]=4 957 B7R0.3 C#CC(C)OCCBr 34a_100000211926_200000035995 [0,2,0,0,0,0|1,0,1]=4 958 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [0,2,0,0,0,0|1,0,1]=4 959 B7R0.3 C#CC(C)OCCN 34a_100000210304_200000035995 [0,2,0,0,0,0|1,0,1]=4 960 B7R0.3 C#CC(C)SCOC 62a_200000035995_100000766300 [0,2,0,0,0,0|1,0,1]=4 961 B7R0.3 C#CCNC(C)CC 2230a_100000209981_100000038162 [0,2,0,0,0,0|2,0,0]=4 962 B7R0.3 C#CCNC(C)CC 34a_100000212058_100011215416 [0,2,0,0,0,0|2,0,0]=4 963 B7R0.3 C#CCOC(C)C#C 34a_100000210247_200000035995 [0,2,0,0,0,0|1,0,1]=4 964 B7R0.3 C#CCOC(C)C#N 34a_100011218135_100000184674 [0,2,0,0,0,0|2,0,0]=4 965 B7R0.3 C#CCOC(C)C=C 34a_100000695699_100000184674 [0,2,0,0,0,0|1,0,1]=4 966 B7R0.3 C#CCOC(C)CC 34a_100000210247_100011215416 [0,2,0,0,0,0|1,0,0]=3 967 B7R0.3 C#CCOC(C)CC 7a_100000210228_100000038162 [0,2,0,0,0,0|1,0,0]=3 968 B7R0.3 C#CCOC(C)CF 34a_100016041109_100000184674 [0,2,0,0,0,0|2,0,0]=4 969 B7R0.3 C#CCOC(C)CF 7a_100016041109_100000038162 [0,2,0,0,0,0|2,0,0]=4 970 B7R0.3 C#CCOC(C)CN 34a_100000210904_100000184674 [0,2,0,0,0,0|2,0,0]=4 971 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [0,2,0,0,0,0|2,0,0]=4 972 B7R0.3 C#CCO[C@H](C)C#C 34a_100009815206_100000184674 [0,2,0,0,0,0|1,0,1]=4 973 B7R0.3 C#CCO[C@H](C)C#C 7a_100009815206_100000038162 [0,2,0,0,0,0|1,0,1]=4 974 B7R0.3 C#CCSC(C)CC 62a_100000038162_100000758301 [0,2,0,0,0,0|1,1,0]=4 975 B7R0.3 C#CCSC(C)OC 62a_100000038162_100009879195 [0,2,0,0,0,0|0,1,0]=3 976 B7R0.3 C#C[C@@H](C)OCC#N 7a_100009815206_100011215382 [0,2,0,0,0,0|1,0,1]=4 977 B7R0.3 C#C[C@@H](C)OCC=C 34a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 978 B7R0.3 C#C[C@@H](C)OCC=C 7a_100009815206_100015514636 [0,2,0,0,0,0|1,0,1]=4 979 B7R0.3 C#C[C@@H](C)OCC=O 34a_100009815206_200009817547 [0,2,0,0,0,0|1,0,1]=4 980 B7R0.3 C#C[C@@H](C)OCC=O 7a_100009815206_200015260668 [0,2,0,0,0,0|1,0,1]=4 981 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 982 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [0,2,0,0,0,0|1,0,1]=4 983 B7R0.3 C#C[C@@H](C)OCCF 34a_100009815206_100011217306 [0,2,0,0,0,0|1,0,1]=4 984 B7R0.3 C#C[C@@H](C)OCCF 7a_100009815206_100011217306 [0,2,0,0,0,0|1,0,1]=4 985 B7R0.3 C#C[C@@H](C)OCCO 34a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 986 B7R0.3 C#C[C@@H](C)OCCO 7a_100009815206_100000211926 [0,2,0,0,0,0|1,0,1]=4 987 B7R0.3 C#C[C@@H](C)OCSC 34a_100009815206_100011218213 [0,2,0,0,0,0|1,0,1]=4 988 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 989 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [0,2,0,0,0,0|1,0,1]=4 990 B7R0.3 C=CC(C)COCF 34a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 991 B7R0.3 C=CC(C)COCF 7a_100011215527_100015361967 [0,2,0,0,0,0|1,0,1]=4 992 B7R0.3 C=CC(C)OCC=O 34a_100000695699_200009817547 [0,2,0,0,0,0|1,0,1]=4 993 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [0,2,0,0,0,0|1,0,1]=4 994 B7R0.3 C=CC(C)OCCF 34a_100000695699_100011217306 [0,2,0,0,0,0|1,0,1]=4 995 B7R0.3 C=CC(C)OCCO 34a_100000695699_100000211926 [0,2,0,0,0,0|1,0,1]=4 996 B7R0.3 C=CC(C)OCSC 34a_100000695699_100011218213 [0,2,0,0,0,0|1,0,1]=4 997 B7R0.3 C=CC(C)SCOC 62a_100011215867_100000766300 [0,2,0,0,0,0|1,0,1]=4 998 B7R0.3 C=CCCC(C)NC 270004a_106832991635_100000762624 [0,2,0,0,0,0|2,0,0]=4 999 B7R0.3 C=CCCC(C)OC 34a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1000 B7R0.3 C=CCCC(C)OC 7a_100000765329_200000210301 [0,2,0,0,0,0|1,0,0]=3 1001 B7R0.3 C=CCCC(C)O[13CH3] 34a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1002 B7R0.3 C=CCCC(C)O[13CH3] 7a_100000765329_200025704644 [0,2,0,0,0,0|1,0,0]=3 1003 B7R0.3 C=CCNC(C)CC 2230a_100000209981_100000210623 [0,2,0,0,0,0|2,0,0]=4 1004 B7R0.3 C=CCNC(C)CC 2230a_100020586998_100000758301 [0,2,0,0,0,0|2,0,0]=4 1005 B7R0.3 C=CCOC(C)C#N 34a_100011218135_100015514636 [0,2,0,0,0,0|2,0,0]=4 1006 B7R0.3 C=CCOC(C)C=C 34a_100000695699_100015514636 [0,2,0,0,0,0|1,0,1]=4 1007 B7R0.3 C=CCOC(C)CC 34a_200000210373_100011215416 [0,2,0,0,0,0|1,0,0]=3 1008 B7R0.3 C=CCOC(C)CC 7a_100000210228_100015514636 [0,2,0,0,0,0|1,0,0]=3 1009 B7R0.3 C=CCOC(C)CF 34a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1010 B7R0.3 C=CCOC(C)CF 7a_100016041109_100015514636 [0,2,0,0,0,0|2,0,0]=4 1011 B7R0.3 C=CCOC(C)CN 34a_100000210904_100015514636 [0,2,0,0,0,0|2,0,0]=4 1012 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [0,2,0,0,0,0|2,0,0]=4 1013 B7R0.3 C=CCSC(C)CC 62a_100000210623_100000758301 [0,2,0,0,0,0|1,1,0]=4 1014 B7R0.3 C=CCSC(C)CC 62a_100000758301_100000210623 [0,2,0,0,0,0|1,1,0]=4 1015 B7R0.3 C=CCSC(C)OC 62a_100000210623_100009879195 [0,2,0,0,0,0|0,1,0]=3 1016 B7R0.3 C=CCSC(C)OC 62a_100009879195_100000210623 [0,2,0,0,0,0|0,1,0]=3 1017 B7R0.3 CC(C#N)OCC=O 34a_100011218135_200009817547 [0,2,0,0,0,0|2,0,0]=4 1018 B7R0.3 CC(C#N)OCCF 34a_100011218135_100011217306 [0,2,0,0,0,0|2,0,0]=4 1019 B7R0.3 CC(C#N)OCCO 34a_100011218135_100000211926 [0,2,0,0,0,0|2,0,0]=4 1020 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1021 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [0,2,0,0,0,0|1,0,0]=3 1022 B7R0.3 CC(CF)OCC#N 7a_100016041109_100011215382 [0,2,0,0,0,0|2,0,0]=4 1023 B7R0.3 CC(CF)OCC=O 34a_100016041109_200009817547 [0,2,0,0,0,0|2,0,0]=4 1024 B7R0.3 CC(CF)OCC=O 7a_100016041109_200015260668 [0,2,0,0,0,0|2,0,0]=4 1025 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [0,2,0,0,0,0|2,0,0]=4 1026 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [0,2,0,0,0,0|2,0,0]=4 1027 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [0,2,0,0,0,0|2,0,0]=4 1029 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.3 CC(CN)OCC=O 34a_100000210904_200009817547 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [0,2,0,0,0,0|2,0,0]=4 1032 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [0,2,0,0,0,0|2,0,0]=4 1033 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [0,2,0,0,0,0|2,0,0]=4 1034 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [0,2,0,0,0,0|2,0,0]=4 1035 B7R0.3 CC=NNC(C)CC 4a_100000718999_200000210099 [0,2,0,0,0,0|2,0,0]=4 1036 B7R0.3 CCC#CC(C)OC 34a_100000033903_200000210301 [0,2,0,0,0,0|1,0,0]=3 1037 B7R0.3 CCC#CC(C)OC 7a_100000033903_200000210301 [0,2,0,0,0,0|1,0,0]=3 1038 B7R0.3 CCC#CC(C)O[13CH3] 34a_100000033903_200025704644 [0,2,0,0,0,0|1,0,0]=3 1039 B7R0.3 CCC#CC(C)O[13CH3] 7a_100000033903_200025704644 [0,2,0,0,0,0|1,0,0]=3 1040 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [0,2,0,0,0,0|2,0,0]=4 1041 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [0,2,0,0,0,0|2,0,0]=4 1042 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [0,2,0,0,0,0|1,0,0]=3 1043 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [0,2,0,0,0,0|1,0,0]=3 1044 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [0,2,0,0,0,0|1,1,0]=4 1045 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [0,2,0,0,0,0|1,1,0]=4 1046 B7R0.3 CCC(C)NCC#N 2230a_100000209981_100011215382 [0,2,0,0,0,0|2,0,0]=4 1047 B7R0.3 CCC(C)NCC=O 2230a_100000209981_200015260668 [0,2,0,0,0,0|2,0,0]=4 1048 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [0,2,0,0,0,0|2,0,0]=4 1049 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [0,2,0,0,0,0|2,0,0]=4 1050 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [0,2,0,0,0,0|2,0,0]=4 1051 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [0,2,0,0,0,0|2,0,0]=4 1052 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [0,2,0,0,0,0|2,0,0]=4 1053 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [0,2,0,0,0,0|1,0,0]=3 1054 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [0,2,0,0,0,0|1,1,0]=4 1055 B7R0.3 CCC(C)OCC#N 7a_100000210228_100011215382 [0,2,0,0,0,0|1,0,0]=3 1056 B7R0.3 CCC(C)OCC=O 7a_100000210228_200015260668 [0,2,0,0,0,0|1,0,0]=3 1057 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [0,2,0,0,0,0|1,0,0]=3 1058 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [0,2,0,0,0,0|1,0,0]=3 1059 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [0,2,0,0,0,0|1,0,0]=3 1060 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [0,2,0,0,0,0|1,0,0]=3 1061 B7R0.3 CCC(C)SCC#N 62a_100000758301_100011215382 [0,2,0,0,0,0|1,1,0]=4 1062 B7R0.3 CCC(C)SCC#N 62a_100011215382_100000758301 [0,2,0,0,0,0|1,1,0]=4 1063 B7R0.3 CCC(C)SCC=O 62a_100000758301_200015260668 [0,2,0,0,0,0|1,1,0]=4 1064 B7R0.3 CCC(C)SCC=O 62a_200015260668_100000758301 [0,2,0,0,0,0|1,1,0]=4 1065 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [0,2,0,0,0,0|1,1,0]=4 1066 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [0,2,0,0,0,0|1,1,0]=4 1067 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [0,2,0,0,0,0|1,1,0]=4 1068 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [0,2,0,0,0,0|1,1,0]=4 1069 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [0,2,0,0,0,0|1,0,0]=3 1070 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [0,2,0,0,0,0|1,0,0]=3 1071 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [0,2,0,0,0,0|1,1,0]=4 1072 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [0,2,0,0,0,0|1,1,0]=4 1073 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [0,2,0,0,0,0|2,0,0]=4 1074 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1075 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [0,2,0,0,0,0|2,0,0]=4 1076 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [0,2,0,0,0,0|2,0,0]=4 1077 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [0,2,0,0,0,0|2,0,0]=4 1079 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [0,2,0,0,0,0|1,0,0]=3 1080 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [0,2,0,0,0,0|1,0,0]=3 1081 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [0,2,0,0,0,0|1,0,0]=3 1082 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [0,2,0,0,0,0|1,0,0]=3 1083 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [0,2,0,0,0,0|1,0,0]=3 1084 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [0,2,0,0,0,0|1,1,0]=4 1085 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [0,2,0,0,0,0|1,1,0]=4 1086 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [0,2,0,0,0,0|1,1,0]=4 1087 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [0,2,0,0,0,0|1,1,0]=4 1088 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [0,2,0,0,0,0|2,0,0]=4 1089 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [0,2,0,0,0,0|2,0,0]=4 1090 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [0,2,0,0,0,0|1,0,0]=3 1091 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [0,2,0,0,0,0|1,0,0]=3 1092 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [0,2,0,0,0,0|2,0,0]=4 1096 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [0,2,0,0,0,0|1,1,0]=4 1097 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [0,2,0,0,0,0|1,1,0]=4 1098 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [0,2,0,0,0,0|0,1,0]=3 1099 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [0,2,0,0,0,0|0,1,0]=3 1100 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [0,2,0,0,0,0|2,0,0]=4 1101 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1102 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [0,2,0,0,0,0|2,0,0]=4 1103 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [0,2,0,0,0,0|2,0,0]=4 1104 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [0,2,0,0,0,0|2,0,0]=4 1106 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1107 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [0,2,0,0,0,0|2,0,0]=4 1108 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [0,2,0,0,0,0|2,0,0]=4 1109 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [0,2,0,0,0,0|2,0,0]=4 1110 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [0,2,0,0,0,0|2,0,0]=4 1111 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [0,2,0,0,0,0|2,0,0]=4 1112 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [0,2,0,0,0,0|1,0,0]=3 1113 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [0,2,0,0,0,0|1,0,0]=3 1115 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [0,2,0,0,0,0|0,0,0]=2 1117 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [0,2,0,0,0,0|0,0,0]=2 1118 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [0,2,0,0,0,0|0,0,0]=2 1119 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [0,2,0,0,0,0|0,0,0]=2 1120 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [0,2,0,0,0,0|0,0,0]=2 1121 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [0,2,0,0,0,0|2,0,0]=4 1122 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [0,2,0,0,0,0|2,0,0]=4 1123 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [0,2,0,0,0,0|1,0,0]=3 1124 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [0,2,0,0,0,0|1,0,0]=3 1125 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [0,2,0,0,0,0|1,1,0]=4 1127 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [0,2,0,0,0,0|1,1,0]=4 1128 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [0,2,0,0,0,0|1,1,0]=4 1129 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [0,2,0,0,0,0|1,1,0]=4 1130 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [0,2,0,0,0,0|1,1,0]=4 1131 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [0,2,0,0,0,0|1,0,0]=3 1132 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [0,2,0,0,0,0|1,1,0]=4 1133 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [0,2,0,0,0,0|1,1,0]=4 1134 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [0,2,0,0,0,0|1,0,0]=3 1135 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [0,2,0,0,0,0|1,1,0]=4 1136 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [0,2,0,0,0,0|1,0,1]=4 1137 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [0,2,0,0,0,0|1,0,1]=4 1138 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1139 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [0,2,0,0,0,0|1,0,0]=3 1140 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [0,2,0,0,0,0|0,0,0]=2 1141 B7R0.3 COC(C)COCF 34a_100000690652_100015361967 [0,2,0,0,0,0|0,0,0]=2 1142 B7R0.3 COC(C)SCC#N 62a_100009879195_100011215382 [0,2,0,0,0,0|0,1,0]=3 1143 B7R0.3 COC(C)SCC#N 62a_100011215382_100009879195 [0,2,0,0,0,0|0,1,0]=3 1144 B7R0.3 COC(C)SCC=O 62a_100009879195_200015260668 [0,2,0,0,0,0|0,1,0]=3 1145 B7R0.3 COC(C)SCC=O 62a_200015260668_100009879195 [0,2,0,0,0,0|0,1,0]=3 1146 B7R0.3 COC(C)SCCF 62a_100009879195_100011217306 [0,2,0,0,0,0|0,1,0]=3 1147 B7R0.3 COC(C)SCCF 62a_100011217306_100009879195 [0,2,0,0,0,0|0,1,0]=3 1148 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [0,2,0,0,0,0|0,1,0]=3 1149 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [0,2,0,0,0,0|0,1,0]=3 1150 B7R0.3 COC(C)SCSC 62a_100009879195_100011218213 [0,2,0,0,0,0|0,1,0]=3 1151 B7R0.3 COC(C)SCSC 62a_100011218213_100009879195 [0,2,0,0,0,0|0,1,0]=3 1152 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [0,2,0,0,0,0|1,0,1]=4 1153 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [0,2,0,0,0,0|0,0,0]=2 1154 B7R0.3 COCNC(C)C#N 2230a_100000737613_100000766300 [0,2,0,0,0,0|2,0,0]=4 1155 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [0,2,0,0,0,0|2,0,0]=4 1156 B7R0.3 COCSC(C)C#N 62a_100000703298_100000766300 [0,2,0,0,0,0|2,0,0]=4 1157 B7R0.3 COCSC(C)C#N 62a_100000766300_100000703298 [0,2,0,0,0,0|2,0,0]=4 1158 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [0,2,0,0,0,0|2,0,0]=4 1159 B7R0.3 COCSC(C)OC 62a_100000766300_100009879195 [0,2,0,0,0,0|0,0,0]=2 1160 B7R0.3 COCSC(C)OC 62a_100009879195_100000766300 [0,2,0,0,0,0|0,0,0]=2 1161 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [0,2,0,0,0,0|2,0,0]=4 1162 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [0,2,0,0,0,0|2,0,0]=4 1163 B7R0.3 CSCOC(C)C#N 34a_100011218135_100011218213 [0,2,0,0,0,0|2,0,0]=4 1164 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [0,2,0,0,0,0|2,0,0]=4 1166 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,2,0,0,0,0|2,0,0]=4 1167 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,2,0,0,0,0|2,0,0]=4 1168 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1169 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,2,0,0,0,0|1,0,0]=3 1170 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,2,0,0,0,0|1,0,0]=3 1171 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,2,0,0,0,0|1,1,0]=4 1172 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,2,0,0,0,0|1,1,0]=4 1173 B7R0.5 CC(C)C(C)OCF 7a_100000748068_100015361967 [0,2,0,0,0,0|1,0,0]=3 1174 B7R0.5 CC(C)[C@@H](N)CO[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,2,0,0,0,0|2,0,0]=4 1176 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,2,0,0,0,0|2,0,0]=4 1177 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,2,0,0,0,0|2,0,0]=4 1178 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,2,0,0,0,0|2,0,0]=4 1179 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,2,0,0,0,0|2,0,0]=4 1180 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,2,0,0,0,0|2,0,0]=4 1181 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1182 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,2,0,0,0,0|2,0,0]=4 1183 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,2,0,0,0,0|2,0,0]=4 1184 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,2,0,0,0,0|2,0,0]=4 1185 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1187 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,2,0,0,0,0|2,0,0]=4 1188 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,2,0,0,0,0|2,0,0]=4 1189 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,2,0,0,0,0|1,0,0]=3 1192 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,2,0,0,0,0|1,0,0]=3 1193 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,2,0,0,0,0|2,0,0]=4 1194 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,2,0,0,0,0|1,0,0]=3 1195 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,2,0,0,0,0|1,0,0]=3 1196 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,2,0,0,0,0|2,0,0]=4 1197 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1198 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,2,0,0,0,0|2,0,0]=4 1199 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,2,0,0,0,0|1,1,0]=4 1200 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,2,0,0,0,0|1,1,0]=4 1201 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,2,0,0,0,0|1,1,0]=4 1202 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,2,0,0,0,0|1,1,0]=4 1203 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,2,0,0,0,0|1,0,1]=4 1204 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,2,0,0,0,0|1,0,1]=4 1205 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,2,0,0,0,0|1,0,0]=3 1206 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,2,0,0,0,0|1,0,0]=3 1207 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1208 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,2,0,0,0,0|1,0,0]=3 1209 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,2,0,0,0,0|1,0,0]=3 1213 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,2,0,0,0,0|2,0,0]=4 1215 B7R0.5 COCN(C)C(C)C 269982a_200000211004_100000766300 [0,2,0,0,0,0|2,0,0]=4 1216 B7R0.5 COC[C@H](N)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 1217 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,2,0,0,0,0|1,1,0]=4 1218 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,2,0,0,0,0|1,1,0]=4 1219 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,2,0,0,0,0|1,1,0]=4 1220 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1221 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,2,0,0,0,0|2,0,0]=4 1222 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,2,0,0,0,0|2,0,0]=4 1223 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1224 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [0,2,0,0,0,0|1,0,1]=4 1225 B7R0.7 C#CCC(C)OCF 34a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1226 B7R0.7 C#CCC(C)OCF 7a_100000685586_100015361967 [0,2,0,0,0,0|1,0,1]=4 1227 B7R0.7 C/C=C/C(C)OCC 34a_200102604097_100000210202 [0,2,0,0,0,0|1,0,0]=3 1228 B7R0.7 C/C=C/C(C)OCF 34a_200102604097_100015361967 [0,2,0,0,0,0|1,0,0]=3 1229 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1230 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [0,2,0,0,0,0|1,0,1]=4 1231 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1232 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [0,2,0,0,0,0|1,0,1]=4 1233 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1234 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [0,2,0,0,0,0|1,0,1]=4 1235 B7R0.7 C=CC[C@@H](C)OCF 34a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 1236 B7R0.7 C=CC[C@@H](C)OCF 7a_100000731007_100015361967 [0,2,0,0,0,0|1,0,1]=4 1237 B7R0.7 CC#CC(C)OCC 34a_100011216543_100000210202 [0,2,0,0,0,0|1,0,0]=3 1238 B7R0.7 CC#CC(C)OCF 34a_100011216543_100015361967 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [0,2,0,0,0,0|1,0,0]=3 1240 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [0,2,0,0,0,0|1,0,0]=3 1241 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [0,2,0,0,0,0|1,1,0]=4 1242 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [0,2,0,0,0,0|1,1,0]=4 1243 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1244 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [0,2,0,0,0,0|2,0,0]=4 1245 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [0,2,0,0,0,0|2,0,0]=4 1246 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [0,2,0,0,0,0|2,0,0]=4 1247 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [0,2,0,0,0,0|1,0,0]=3 1248 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [0,2,0,0,0,0|1,0,0]=3 1249 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [0,2,0,0,0,0|1,0,0]=3 1250 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [0,2,0,0,0,0|1,0,0]=3 1251 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [0,2,0,0,0,0|1,0,0]=3 1252 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [0,2,0,0,0,0|1,1,0]=4 1253 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [0,2,0,0,0,0|1,1,0]=4 1254 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [0,2,0,0,0,0|1,1,0]=4 1255 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [0,2,0,0,0,0|1,1,0]=4 1256 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [0,2,0,0,0,0|2,0,0]=4 1257 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [0,2,0,0,0,0|2,0,0]=4 1258 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [0,2,0,0,0,0|2,0,0]=4 1259 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [0,2,0,0,0,0|1,0,0]=3 1260 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [0,2,0,0,0,0|1,0,0]=3 1261 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [0,2,0,0,0,0|1,0,0]=3 1262 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [0,2,0,0,0,0|1,0,0]=3 1263 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [0,2,0,0,0,0|1,0,0]=3 1264 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [0,2,0,0,0,0|1,1,0]=4 1265 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [0,2,0,0,0,0|1,1,0]=4 1266 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [0,2,0,0,0,0|1,1,0]=4 1267 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [0,2,0,0,0,0|1,1,0]=4 1268 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1269 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [0,2,0,0,0,0|2,0,0]=4 1270 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1271 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1272 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [0,2,0,0,0,0|2,0,0]=4 1273 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [0,2,0,0,0,0|1,0,0]=3 1274 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [0,2,0,0,0,0|1,0,0]=3 1275 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [0,2,0,0,0,0|1,1,0]=4 1276 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 1277 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [0,2,0,0,0,0|2,0,0]=4 1278 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [0,2,0,0,0,0|1,0,0]=3 1279 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [0,2,0,0,0,0|1,0,1]=4 1280 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [0,2,0,0,0,0|1,0,0]=3 1281 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [0,2,0,0,0,0|1,0,0]=3 1282 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [0,2,0,0,0,0|0,0,0]=2 1283 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [0,2,0,0,0,0|0,0,0]=2 1284 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [0,2,0,0,0,0|1,1,0]=4 1285 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [0,2,0,0,0,0|1,1,0]=4 1286 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [0,2,0,0,0,0|0,1,0]=3 1287 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [0,2,0,0,0,0|0,1,0]=3 1288 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [0,2,0,0,0,0|2,0,0]=4 1291 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [0,2,0,0,0,0|2,0,0]=4 1292 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [0,2,0,0,0,0|1,0,0]=3 1293 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [0,2,0,0,0,0|0,1,0]=3 1294 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [0,2,0,0,0,0|0,1,0]=3 1295 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,0,0]=3 1296 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1298 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|2,0,0]=4 1299 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [0,2,0,0,0,0|1,0,0]=3 1300 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [0,2,0,0,0,0|1,1,0]=4 1301 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [0,2,0,0,0,0|1,1,0]=4 1302 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [0,2,0,0,0,0|1,1,0]=4 1303 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [0,2,0,0,0,0|1,1,0]=4 1304 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [0,2,0,0,0,0|2,0,0]=4 1305 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [0,2,0,0,0,0|2,0,0]=4 1306 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [0,2,0,0,0,0|0,0,0]=2 1307 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [0,2,0,0,0,0|2,0,0]=4 1308 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1310 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,2,0,0,0,0|1,0,0]=3 1311 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1312 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,2,0,0,0,0|1,0,0]=3 1313 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,2,0,0,0,0|2,0,0]=4 1314 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,2,0,0,0,0|2,0,0]=4 1315 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,2,0,0,0,0|2,0,0]=4 1316 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 1317 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,2,0,0,0,0|2,0,0]=4 1318 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,2,0,0,0,0|1,0,0]=3 1319 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,2,0,0,0,0|1,1,0]=4 1320 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,2,0,0,0,0|1,1,0]=4 1321 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,2,0,0,0,0|1,1,0]=4 1322 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,2,0,0,0,0|1,1,0]=4 1323 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,2,0,0,0,0|1,1,0]=4 1324 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,2,0,0,0,0|2,0,0]=4 1325 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,2,0,0,0,0|2,0,0]=4 1326 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,2,0,0,0,0|2,0,0]=4 1327 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 1328 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 1329 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,2,0,0,0,0|2,0,0]=4 1330 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,2,0,0,0,0|2,0,0]=4 1331 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,2,0,0,0,0|2,0,0]=4 1332 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,2,0,0,0,0|1,0,0]=3 1333 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,2,0,0,0,0|1,0,0]=3 1334 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 1335 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1336 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,2,0,0,0,0|2,0,0]=4 1337 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,2,0,0,0,0|2,0,0]=4 1338 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,2,0,0,0,0|2,0,0]=4 1339 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,2,0,0,0,0|2,0,0]=4 1340 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,2,0,0,0,0|2,0,0]=4 1341 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1342 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,2,0,0,0,0|2,0,0]=4 1343 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,2,0,0,0,0|1,0,0]=3 1344 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,2,0,0,0,0|2,0,0]=4 1345 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,2,0,0,0,0|2,0,0]=4 1346 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,2,0,0,0,0|2,0,0]=4 1347 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,2,0,0,0,0|1,0,0]=3 1348 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1349 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1350 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,2,0,0,0,0|1,0,0]=3 1351 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,2,0,0,0,0|1,0,0]=3 1352 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,2,0,0,0,0|1,1,0]=4 1353 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,2,0,0,0,0|1,1,0]=4 1354 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,2,0,0,0,0|1,1,0]=4 1355 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,2,0,0,0,0|1,1,0]=4 1356 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,2,0,0,0,0|1,1,0]=4 1357 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,2,0,0,0,0|1,1,0]=4 1358 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,2,0,0,0,0|1,1,0]=4 1359 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,2,0,0,0,0|1,1,0]=4 1360 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,2,0,0,0,0|2,0,0]=4 1361 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1362 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,2,0,0,0,0|2,0,0]=4 1363 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1364 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,2,0,0,0,0|2,0,0]=4 1365 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1366 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,2,0,0,0,0|1,0,0]=3 1367 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,2,0,0,0,0|1,0,0]=3 1368 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,2,0,0,0,0|0,0,0]=2 1369 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,2,0,0,0,0|0,0,0]=2 1370 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,2,0,0,0,0|0,0,0]=2 1371 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,2,0,0,0,0|0,1,0]=3 1372 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,2,0,0,0,0|0,1,0]=3 1373 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,2,0,0,0,0|0,1,0]=3 1374 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,2,0,0,0,0|0,1,0]=3 1375 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,2,0,0,0,0|1,0,0]=3 1376 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,2,0,0,0,0|2,0,0]=4 1377 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,2,0,0,0,0|1,1,0]=4 1378 B7R0.11 C#CC(C)(C)OCC 34a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 1379 B7R0.11 C#CC(C)(C)OCC 34a_100121572206_100000038118 [0,2,0,0,0,0|1,0,1]=4 1380 B7R0.11 C#CC(C)(C)OCC 7a_100000189450_100000210202 [0,2,0,0,0,0|1,0,1]=4 1381 B7R0.11 C#CC(C)(C)OCF 34a_100000189450_100015361967 [0,2,0,0,0,0|1,0,1]=4 1382 B7R0.11 C#CC(C)(C)OCF 7a_100000189450_100015361967 [0,2,0,0,0,0|1,0,1]=4 1383 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 1384 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [0,2,0,0,0,0|1,0,1]=4 1385 B7R0.11 C=CC(C)(C)OCF 34a_100011215311_100015361967 [0,2,0,0,0,0|1,0,1]=4 1386 B7R0.11 C=CC(C)(C)OCF 7a_100011215311_100015361967 [0,2,0,0,0,0|1,0,1]=4 1387 B7R0.11 C=CCC(C)(C)OC 7a_100011995686_200000210301 [0,2,0,0,0,0|1,0,1]=4 1388 B7R0.11 C=CCC(C)(C)O[13CH3] 7a_100011995686_200025704644 [0,2,0,0,0,0|1,0,1]=4 1389 B7R0.11 CC(C)(C#N)OCF 34a_200015195151_100015361967 [0,2,0,0,0,0|2,0,0]=4 1390 B7R0.11 CC(C)(CCBr)O[13CH3] 7a_100000702414_200025704644 [0,2,0,0,0,0|1,0,0]=3 1391 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [0,2,0,0,0,0|2,0,0]=4 1392 B7R0.11 CC(C)(CCl)OCF 7a_100000764493_100015361967 [0,2,0,0,0,0|2,0,0]=4 1393 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [0,2,0,0,0,0|1,0,0]=3 1394 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [0,2,0,0,0,0|1,0,0]=3 1395 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [0,2,0,0,0,0|1,0,0]=3 1396 B7R0.11 CCC(C)(C)SCF 62a_100000032637_100015361967 [0,2,0,0,0,0|1,1,0]=4 1397 B7R0.11 CCC(C)(C)SCF 62a_100015361967_100000032637 [0,2,0,0,0,0|1,1,0]=4 1398 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [0,2,0,0,0,0|1,0,0]=3 1399 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [0,2,0,0,0,0|1,0,0]=3 1400 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [0,2,0,0,0,0|2,0,0]=4 1401 B7R0.11 CCOC(C)(C)C#N 34a_100121572206_100011162410 [0,2,0,0,0,0|2,0,0]=4 1402 B7R0.11 CCOC(C)(C)C#N 34a_200015195151_100000210202 [0,2,0,0,0,0|2,0,0]=4 1403 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [0,2,0,0,0,0|1,0,0]=3 1404 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [0,2,0,0,0,0|1,1,0]=4 1406 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [0,2,0,0,0,0|1,1,0]=4 1407 B7R0.11 CNC(C)(C)COC 2230a_100000752728_200000210301 [0,2,0,0,0,0|1,0,0]=3 1408 B7R0.11 CNC(C)(C)CSC 2230a_100000759623_200000210301 [0,2,0,0,0,0|1,1,0]=4 1409 B7R0.11 CNC(C)(C)CSC 7a_100000759623_200000210301 [0,2,0,0,0,0|1,1,0]=4 1410 B7R0.11 CNCC(C)(C)OC 2230a_100000763424_200000210301 [0,2,0,0,0,0|1,0,0]=3 1411 B7R0.11 CNCC(C)(C)OC 34a_100102657272_100000701081 [0,2,0,0,0,0|1,0,0]=3 1412 B7R0.11 CNCC(C)(C)SC 270004a_106832991635_100009845794 [0,2,0,0,0,0|1,1,0]=4 1413 B7R0.11 COC(C)(C)CCBr 7a_100000702414_200000210301 [0,2,0,0,0,0|1,0,0]=3 1414 B7R0.11 COC(C)(C)CN[13CH3] 2230a_100000763424_200025704644 [0,2,0,0,0,0|1,0,0]=3 1415 B7R0.11 COC(C)(C)CSC 62a_100000701081_200000210301 [0,2,0,0,0,0|0,1,0]=3 1416 B7R0.11 COC(C)(C)CSC 62a_200000210301_100000701081 [0,2,0,0,0,0|0,1,0]=3 1417 B7R0.11 COC(C)(C)CS[13CH3] 62a_100000701081_200025704644 [0,2,0,0,0,0|0,1,0]=3 1418 B7R0.11 COC(C)(C)CS[13CH3] 62a_200025704644_100000701081 [0,2,0,0,0,0|0,1,0]=3 1419 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [0,2,0,0,0,0|2,0,0]=4 1420 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [0,2,0,0,0,0|2,0,0]=4 1421 B7R0.11 COCC(C)(C)N[13CH3] 2230a_100000752728_200025704644 [0,2,0,0,0,0|1,0,0]=3 1422 B7R0.11 COCC(C)(C)OC 34a_100138415774_100000701081 [0,2,0,0,0,0|0,0,0]=2 1423 B7R0.11 CSCC(C)(C)N[13CH3] 2230a_100000759623_200025704644 [0,2,0,0,0,0|1,1,0]=4 1424 B7R0.11 CSCC(C)(C)N[13CH3] 7a_100000759623_200025704644 [0,2,0,0,0,0|1,1,0]=4 1425 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,2,0,0,0,0|1,0,1]=4 1426 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,2,0,0,0,0|1,0,1]=4 1427 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,2,0,0,0,0|1,0,1]=4 1429 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1430 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1432 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,2,0,0,0,0|1,0,1]=4 1433 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,2,0,0,0,0|1,0,0]=3 1434 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,2,0,0,0,0|1,0,0]=3 1435 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,2,0,0,0,0|1,0,0]=3 1436 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,2,0,0,0,0|1,0,0]=3 1437 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,2,0,0,0,0|1,0,1]=4 1443 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 1444 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,2,0,0,0,0|1,0,1]=4 1445 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1446 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,2,0,0,0,0|1,0,1]=4 1447 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1448 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,2,0,0,0,0|1,0,1]=4 1449 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,2,0,0,0,0|1,0,0]=3 1450 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,2,0,0,0,0|1,0,0]=3 1451 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,2,0,0,0,0|1,0,0]=3 1452 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,2,0,0,0,0|1,0,0]=3 1453 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,2,0,0,0,0|2,0,0]=4 1454 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1455 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,2,0,0,0,0|2,0,0]=4 1456 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,2,0,0,0,0|2,0,0]=4 1457 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,2,0,0,0,0|2,0,0]=4 1458 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,2,0,0,0,0|2,0,0]=4 1459 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,2,0,0,0,0|2,0,0]=4 1460 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,2,0,0,0,0|1,0,0]=3 1461 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,2,0,0,0,0|1,0,0]=3 1462 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,2,0,0,0,0|1,0,0]=3 1463 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,2,0,0,0,0|1,1,0]=4 1464 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,2,0,0,0,0|1,1,0]=4 1465 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,2,0,0,0,0|1,1,0]=4 1466 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,2,0,0,0,0|1,1,0]=4 1467 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,2,0,0,0,0|1,0,0]=3 1468 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,2,0,0,0,0|1,1,0]=4 1469 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,2,0,0,0,0|1,1,0]=4 1470 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,2,0,0,0,0|1,0,0]=3 1471 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,2,0,0,0,0|1,0,0]=3 1472 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,2,0,0,0,0|1,0,0]=3 1473 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,2,0,0,0,0|0,0,0]=2 1474 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,2,0,0,0,0|0,0,0]=2 1475 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,2,0,0,0,0|0,0,0]=2 1476 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,2,0,0,0,0|0,0,0]=2 1477 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,2,0,0,0,0|0,0,0]=2 1478 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,2,0,0,0,0|0,0,0]=2 1479 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1480 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,2,0,0,0,0|1,0,1]=4 1481 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1482 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,2,0,0,0,0|1,0,1]=4 1483 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,2,0,0,0,0|2,0,0]=4 1484 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,2,0,0,0,0|2,0,0]=4 1485 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,2,0,0,0,0|2,0,0]=4 1486 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,2,0,0,0,0|2,0,0]=4 1487 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,2,0,0,0,0|1,0,0]=3 1488 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,2,0,0,0,0|1,0,0]=3 1489 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,2,0,0,0,0|1,0,0]=3 1491 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,2,0,0,0,0|1,1,0]=4 1492 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,2,0,0,0,0|1,1,0]=4 1493 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,2,0,0,0,0|1,1,0]=4 1494 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,2,0,0,0,0|1,1,0]=4 1495 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1496 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,2,0,0,0,0|2,0,0]=4 1497 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1498 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,2,0,0,0,0|2,0,0]=4 1499 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1500 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [0,2,0,0,0,0|2,0,0]=4 1501 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [0,2,0,0,0,0|2,0,0]=4 1502 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [0,2,0,0,0,0|2,0,0]=4 1503 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [0,2,0,0,0,0|2,0,0]=4 1504 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,2,0,0,0,0|2,0,0]=4 1505 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,2,0,0,0,0|2,0,0]=4 1506 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,2,0,0,0,0|2,0,0]=4 1507 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,2,0,0,0,0|1,0,0]=3 1508 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,2,0,0,0,0|2,0,0]=4 1509 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1510 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,2,0,0,0,0|2,0,0]=4 1511 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,2,0,0,0,0|2,0,0]=4 1512 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,2,0,0,0,0|2,0,0]=4 1513 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,2,0,0,0,0|2,0,0]=4 1514 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,2,0,0,0,0|1,1,0]=4 1515 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,2,0,0,0,0|1,1,0]=4 1516 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,2,0,0,0,0|2,0,0]=4 1517 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,2,0,0,0,0|2,0,0]=4 1518 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,2,0,0,0,0|1,0,0]=3 1519 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,2,0,0,0,0|1,0,0]=3 1520 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,2,0,0,0,0|0,0,0]=2 1521 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,2,0,0,0,0|0,0,0]=2 1522 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,2,0,0,0,0|0,0,0]=2 1523 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,2,0,0,0,0|0,0,0]=2 1524 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,2,0,0,0,0|0,0,0]=2 1525 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,2,0,0,0,0|0,0,0]=2 1526 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,2,0,0,0,0|0,0,0]=2 1527 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,2,0,0,0,0|0,0,0]=2 1528 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,2,0,0,0,0|0,0,0]=2 1529 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,2,0,0,0,0|0,0,0]=2 1530 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,2,0,0,0,0|0,0,0]=2 1531 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,2,0,0,0,0|0,0,0]=2 1532 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,2,0,0,0,0|0,0,0]=2 1533 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,2,0,0,0,0|1,0,0]=3 1534 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,2,0,0,0,0|1,0,0]=3 1535 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,2,0,0,0,0|0,0,0]=2 1536 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,2,0,0,0,0|0,0,0]=2 1537 B7R0.12 FCOC(CCl)CCl 7a_100000737055_100015361967 [0,2,0,0,0,0|2,0,0]=4 1538 B7R0.12 FCOC(CF)CF 34a_100000032261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.12 FCOC(CF)CF 7a_100000032261_100015361967 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.12 FCO[C@@H](CF)CCl 34a_100015614560_100015361967 [0,2,0,0,0,0|2,0,0]=4 1541 B7R0.12 FCO[C@@H](CF)CCl 7a_100015614560_100015361967 [0,2,0,0,0,0|2,0,0]=4 1542 B7R0.12 NCC(CN)OCF 34a_100000031598_100015361967 [0,2,0,0,0,0|2,0,0]=4 1543 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1544 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,2,0,0,0,0|1,0,0]=3 1545 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,2,0,0,0,0|1,1,0]=4 1546 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,2,0,0,0,0|1,1,0]=4 1547 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1548 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,2,0,0,0,0|2,0,0]=4 1549 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [0,2,0,0,0,0|2,0,0]=4 1550 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [0,2,0,0,0,0|1,0,0]=3 1551 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,2,0,0,0,0|2,0,0]=4 1552 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,2,0,0,0,0|2,0,0]=4 1553 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,2,0,0,0,0|2,0,0]=4 1555 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,2,0,0,0,0|2,0,0]=4 1556 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 1557 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,2,0,0,0,0|2,0,0]=4 1558 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,2,0,0,0,0|2,0,0]=4 1559 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,2,0,0,0,0|2,0,0]=4 1560 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_200025704644_217856628674 [0,2,0,0,0,0|1,1,0]=4 1561 B7R0.13 CN(C)C(C)(C)S[13CH3] 62a_217856628674_200025704644 [0,2,0,0,0,0|1,1,0]=4 1562 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,2,0,0,0,0|2,0,0]=4 1563 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [0,2,0,0,0,0|2,0,0]=4 1564 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,2,0,0,0,0|1,0,0]=3 1565 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1566 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,2,0,0,0,0|1,0,0]=3 1567 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1568 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,2,0,0,0,0|2,0,0]=4 1569 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,2,0,0,0,0|2,0,0]=4 1570 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,2,0,0,0,0|1,0,0]=3 1571 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [0,2,0,0,0,0|1,0,0]=3 1572 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,2,0,0,0,0|1,1,0]=4 1573 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,2,0,0,0,0|1,1,0]=4 1574 B7R0.13 CSC(C)(C)N(C)C 62a_200000210301_217856628674 [0,2,0,0,0,0|1,1,0]=4 1575 B7R0.13 CSC(C)(C)N(C)C 62a_217856628674_200000210301 [0,2,0,0,0,0|1,1,0]=4 1576 B7R0.14 CC(O[13CH3])C(F)(F)F 34a_100000765112_200025704644 [0,2,0,0,0,0|2,0,0]=4 1577 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,2,0,0,0,0|2,0,0]=4 1578 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,2,0,0,0,0|2,0,0]=4 1579 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [0,2,0,0,0,0|2,0,0]=4 1580 B7R0.14 COC(C)C(F)(F)F 34a_100000765112_200000210301 [0,2,0,0,0,0|2,0,0]=4 1581 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [0,2,0,0,0,0|2,0,0]=4 1582 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,2,0,0,0,0|2,0,0]=4 1583 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 1584 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,2,0,0,0,0|1,0,1]=4 1585 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 1586 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,2,0,0,0,0|1,0,1]=4 1587 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,2,0,0,0,0|1,0,1]=4 1588 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,2,0,0,0,0|1,0,1]=4 1589 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,2,0,0,0,0|1,0,1]=4 1590 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,2,0,0,0,0|1,0,1]=4 1591 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1592 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,2,0,0,0,0|1,0,1]=4 1593 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,2,0,0,0,0|1,0,0]=3 1594 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 1595 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,2,0,0,0,0|2,0,0]=4 1596 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,2,0,0,0,0|2,0,0]=4 1597 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,2,0,0,0,0|2,0,0]=4 1598 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,2,0,0,0,0|2,0,0]=4 1599 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,2,0,0,0,0|2,0,0]=4 1600 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,2,0,0,0,0|2,0,0]=4 1601 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,2,0,0,0,0|2,0,0]=4 1602 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,2,0,0,0,0|2,0,0]=4 1603 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,2,0,0,0,0|2,0,0]=4 1604 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,2,0,0,0,0|2,0,0]=4 1605 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,2,0,0,0,0|2,0,0]=4 1606 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,2,0,0,0,0|1,0,0]=3 1607 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,2,0,0,0,0|1,0,1]=4 1608 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,2,0,0,0,0|1,0,0]=3 1609 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,2,0,0,0,0|1,0,0]=3 1610 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,2,0,0,0,0|1,0,0]=3 1611 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,2,0,0,0,0|1,0,0]=3 1612 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,2,0,0,0,0|1,0,0]=3 1613 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,2,0,0,0,0|2,0,0]=4 1614 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,2,0,0,0,0|2,0,0]=4 1615 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,2,0,0,0,0|2,0,0]=4 1616 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,2,0,0,0,0|2,0,0]=4 1617 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 1618 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,2,0,0,0,0|2,0,0]=4 1619 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,2,0,0,0,0|2,0,0]=4 1620 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,2,0,0,0,0|2,0,0]=4 1621 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1622 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,2,0,0,0,0|1,0,1]=4 1623 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,2,0,0,0,0|1,0,0]=3 1624 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,2,0,0,0,0|0,0,0]=2 1625 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,2,0,0,0,0|0,0,0]=2 1626 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,2,0,0,0,0|2,0,0]=4 1627 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,2,0,0,0,0|2,0,0]=4 1628 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,2,0,0,0,0|2,0,0]=4 1629 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,2,0,0,0,0|2,0,0]=4 1630 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 1631 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,2,0,0,0,0|2,0,0]=4 1632 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,2,0,0,0,0|2,0,0]=4 1633 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,2,0,0,0,0|2,0,0]=4 1634 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 1635 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,2,0,0,0,0|2,0,0]=4 1636 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 1637 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,2,0,0,0,0|2,0,0]=4 1638 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,2,0,0,0,0|2,0,0]=4 1639 B7R0.18 C#CC(C)(C=C)OC 34a_100000033310_200000210301 [0,2,0,0,0,0|1,0,1]=4 1640 B7R0.18 C#CC(C)(C=C)OC 7a_100000033310_200000210301 [0,2,0,0,0,0|1,0,1]=4 1641 B7R0.18 C#CC(C)(C=C)O[13CH3] 34a_100000033310_200025704644 [0,2,0,0,0,0|1,0,1]=4 1642 B7R0.18 C#CC(C)(C=C)O[13CH3] 7a_100000033310_200025704644 [0,2,0,0,0,0|1,0,1]=4 1643 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [0,2,0,0,0,0|2,0,0]=4 1644 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [0,2,0,0,0,0|2,0,0]=4 1645 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,2,0,0,0,0|1,0,0]=3 1646 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,2,0,0,0,0|1,0,0]=3 1647 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,2,0,0,0,0|1,0,0]=3 1648 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,2,0,0,0,0|1,0,0]=3 1651 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,2,0,0,0,0|2,0,0]=4 1652 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,2,0,0,0,0|1,0,0]=3 1653 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,2,0,0,0,0|1,0,0]=3 1654 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,2,0,0,0,0|1,1,0]=4 1655 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,2,0,0,0,0|1,1,0]=4 1656 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,2,0,0,0,0|1,1,0]=4 1657 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,2,0,0,0,0|1,1,0]=4 1658 B5R1.2 CN1CCC1 269982a_100000754969_200000210301 [1,0,0,1,0,0|2,0,0]=4 1659 B5R1.2 [13CH3]N1CCC1 269982a_100000754969_200025704644 [1,0,0,1,0,0|2,0,0]=4 1660 B5R1.3 CNC1CC1 34a_100000212008_200000210301 [1,0,0,1,0,0|1,0,0]=3 1661 B5R1.3 CNC1CC1 34a_100102657272_100000211595 [1,0,0,1,0,0|1,0,0]=3 1662 B5R1.3 COC1CC1 34a_100138415774_100000211595 [1,0,0,1,0,0|0,0,0]=2 1663 B5R1.3 CSC1CC1 62a_200000210301_100000211595 [1,0,0,1,0,0|0,1,0]=3 1664 B5R1.3 [13CH3]NC1CC1 34a_100000212008_200025704644 [1,0,0,1,0,0|1,0,0]=3 1665 B5R1.3 [13CH3]SC1CC1 62a_200025704644_100000211595 [1,0,0,1,0,0|0,1,0]=3 1666 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 1667 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 1668 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,1,0,1,0,0|2,0,0]=4 1669 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,1,0,1,0,0|2,0,0]=4 1670 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,1,0,1,0,0|2,0,0]=4 1671 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,1,0,1,0,0|2,0,0]=4 1672 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,1,0,1,0,0|1,0,0]=3 1673 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,1,0,1,0,0|1,0,0]=3 1674 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,1,0,1,0,0|1,0,0]=3 1675 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,1,0,1,0,0|1,0,0]=3 1676 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,1,0,1,0,0|1,1,0]=4 1677 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,1,0,1,0,0|1,0,0]=3 1678 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,1,0,1,0,0|1,0,0]=3 1679 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,1,0,1,0,0|1,0,0]=3 1680 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,1,0,1,0,0|1,0,0]=3 1681 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,1,0,1,0,0|1,0,0]=3 1682 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,1,0,1,0,0|1,0,0]=3 1683 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,1,0,1,0,0|0,0,0]=2 1684 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,1,0,1,0,0|0,0,0]=2 1685 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,1,0,1,0,0|0,1,0]=3 1686 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,1,0,1,0,0|0,0,0]=2 1687 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,1,0,1,0,0|1,1,0]=4 1688 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,1,0,1,0,0|1,1,0]=4 1689 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,1,0,1,0,0|0,1,0]=3 1690 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 1691 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,1,0,1,0,0|2,0,0]=4 1692 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,1,0,1,0,0|1,0,0]=3 1693 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,1,0,1,0,0|1,0,0]=3 1694 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,1,0,1,0,0|1,0,0]=3 1695 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,1,0,1,0,0|1,0,0]=3 1696 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,1,0,1,0,0|1,0,0]=3 1697 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,1,0,1,0,0|0,0,0]=2 1698 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,1,0,1,0,0|0,1,0]=3 1699 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,1,0,1,0,0|0,0,0]=2 1700 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,1,0,1,0,0|1,1,0]=4 1701 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,1,0,1,0,0|1,1,0]=4 1702 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,1,0,1,0,0|0,1,0]=3 1703 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 1704 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 1705 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [0,1,0,1,0,0|2,0,0]=4 1706 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 1707 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 1708 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [0,1,0,1,0,0|2,0,0]=4 1709 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 1710 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 1711 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [0,1,0,1,0,0|2,0,0]=4 1712 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 1713 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 1714 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [0,1,0,1,0,0|2,0,0]=4 1715 B7R1.4 CC1SCCN1C 2230a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 1716 B7R1.4 CC1SCCN1C 269982a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 1717 B7R1.4 CC1SCCN1C 34a_200011216479_200000210301 [0,1,0,1,0,0|1,1,0]=4 1718 B7R1.4 CC1SCCN1[13CH3] 2230a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 1719 B7R1.4 CC1SCCN1[13CH3] 269982a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 1720 B7R1.4 CC1SCCN1[13CH3] 34a_200011216479_200025704644 [0,1,0,1,0,0|1,1,0]=4 1721 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1722 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1723 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,1,0,1,0,0|2,0,0]=4 1724 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1725 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1726 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,1,0,1,0,0|2,0,0]=4 1727 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 1728 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,1,0,1,0,0|2,0,0]=4 1729 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 1730 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,1,0,1,0,0|2,0,0]=4 1731 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [0,1,0,1,0,0|1,0,0]=3 1732 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [0,1,0,1,0,0|1,0,0]=3 1733 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [0,1,0,1,0,0|1,0,0]=3 1734 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [0,1,0,1,0,0|1,0,0]=3 1735 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 1736 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [0,1,0,1,0,0|2,0,0]=4 1737 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [0,1,0,1,0,0|2,0,0]=4 1738 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [0,1,0,1,0,0|1,0,0]=3 1739 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [0,1,0,1,0,0|1,0,0]=3 1740 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [0,1,0,1,0,0|2,0,0]=4 1741 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [0,1,0,1,0,0|2,0,0]=4 1742 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [0,1,0,1,0,0|1,1,0]=4 1743 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 1744 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 1745 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [0,1,0,1,0,0|2,0,0]=4 1746 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [0,1,0,1,0,0|2,0,0]=4 1747 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [0,1,0,1,0,0|2,0,0]=4 1748 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [0,1,0,1,0,0|2,0,0]=4 1749 B7R1.6 CNCC1CCO1 2230a_106832991635_100000103362 [0,1,0,1,0,0|1,0,0]=3 1750 B7R1.6 CNCC1CCO1 34a_100102657272_100000103362 [0,1,0,1,0,0|1,0,0]=3 1751 B7R1.6 CNCC1CCO1 7a_106832991635_100000103362 [0,1,0,1,0,0|1,0,0]=3 1752 B7R1.6 CNC[C@@H]1CCO1 2230a_100020831831_200000210301 [0,1,0,1,0,0|1,0,0]=3 1753 B7R1.6 CNC[C@@H]1CCO1 34a_100020831831_200000210301 [0,1,0,1,0,0|1,0,0]=3 1754 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [0,1,0,1,0,0|1,0,0]=3 1755 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [0,1,0,1,0,0|1,0,0]=3 1756 B7R1.6 COCC1CCO1 34a_100000039022_200000210301 [0,1,0,1,0,0|0,0,0]=2 1757 B7R1.6 COCC1CCO1 34a_100138415774_100000103362 [0,1,0,1,0,0|0,0,0]=2 1758 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [0,1,0,1,0,0|2,0,0]=4 1759 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [0,1,0,1,0,0|2,0,0]=4 1760 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [0,1,0,1,0,0|2,0,0]=4 1761 B7R1.6 COCN1CCC1 269982a_100000754969_100000766300 [0,1,0,1,0,0|2,0,0]=4 1762 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [0,1,0,1,0,0|1,1,0]=4 1763 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [0,1,0,1,0,0|1,1,0]=4 1764 B7R1.6 CSCC1CCO1 62a_100000103362_200000210301 [0,1,0,1,0,0|0,1,0]=3 1765 B7R1.6 CSCC1CCO1 62a_200000210301_100000103362 [0,1,0,1,0,0|0,1,0]=3 1766 B7R1.6 FCNC1CCC1 34a_100000749019_100015361967 [0,1,0,1,0,0|2,0,0]=4 1767 B7R1.6 FCOC1CCC1 34a_100000748187_100015361967 [0,1,0,1,0,0|1,0,0]=3 1768 B7R1.6 FCOC1CSC1 7a_100000072292_100015361967 [0,1,0,1,0,0|2,0,0]=4 1769 B7R1.6 FCSC1CCC1 62a_100015361967_100000749161 [0,1,0,1,0,0|1,1,0]=4 1770 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 1771 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [0,1,0,1,0,0|2,0,0]=4 1772 B7R1.6 [13CH3]NC[C@@H]1CCO1 2230a_100020831831_200025704644 [0,1,0,1,0,0|1,0,0]=3 1773 B7R1.6 [13CH3]NC[C@@H]1CCO1 34a_100020831831_200025704644 [0,1,0,1,0,0|1,0,0]=3 1774 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [0,1,0,1,0,0|1,0,0]=3 1775 B7R1.6 [13CH3]OCC1CCO1 34a_100000039022_200025704644 [0,1,0,1,0,0|0,0,0]=2 1776 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [0,1,0,1,0,0|2,0,0]=4 1777 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [0,1,0,1,0,0|2,0,0]=4 1778 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [0,1,0,1,0,0|1,1,0]=4 1779 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [0,1,0,1,0,0|1,1,0]=4 1780 B7R1.6 [13CH3]SCC1CCO1 62a_100000103362_200025704644 [0,1,0,1,0,0|0,1,0]=3 1781 B7R1.6 [13CH3]SCC1CCO1 62a_200025704644_100000103362 [0,1,0,1,0,0|0,1,0]=3 1782 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 1783 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,1,0,1,0,0|2,0,0]=4 1784 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,1,0,1,0,0|2,0,0]=4 1785 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,1,0,1,0,0|2,0,0]=4 1786 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,1,0,1,0,0|2,0,0]=4 1787 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,1,0,1,0,0|2,0,0]=4 1788 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,1,0,1,0,0|1,0,0]=3 1789 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,1,0,1,0,0|1,1,0]=4 1790 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,1,0,1,0,0|1,1,0]=4 1791 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,1,0,1,0,0|1,1,0]=4 1792 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,1,0,1,0,0|1,1,0]=4 1793 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 1794 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [0,1,0,1,0,0|2,0,0]=4 1795 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 1796 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [0,1,0,1,0,0|2,0,0]=4 1797 B7R1.10 CNC1CC(C1)F 2230a_100016993743_200000210301 [0,1,0,1,0,0|2,0,0]=4 1798 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [0,1,0,1,0,0|2,0,0]=4 1799 B7R1.10 COC1CN(C1)C 269982a_100000755009_200000210301 [0,1,0,1,0,0|1,0,0]=3 1800 B7R1.10 COC1CN(C1)[13CH3] 269982a_100000755009_200025704644 [0,1,0,1,0,0|1,0,0]=3 1801 B7R1.10 CSC1CN(C1)C 269982a_100016990038_200000210301 [0,1,0,1,0,0|1,1,0]=4 1802 B7R1.10 CSC1CN(C1)[13CH3] 269982a_100016990038_200025704644 [0,1,0,1,0,0|1,1,0]=4 1803 B7R1.10 [13CH3]NC1CC(C1)F 2230a_100016993743_200025704644 [0,1,0,1,0,0|2,0,0]=4 1804 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [0,1,0,1,0,0|2,0,0]=4 1805 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 1806 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,1,0,1,0,0|2,0,0]=4 1807 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 1808 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,1,0,1,0,0|2,0,0]=4 1809 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [0,1,0,1,0,0|2,0,0]=4 1810 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [0,1,0,1,0,0|1,0,0]=3 1811 B7R1.21 CC1(CC1)OCF 7a_100011725673_100015361967 [0,1,0,1,0,0|1,0,0]=3 1812 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [0,1,0,1,0,0|0,1,0]=3 1813 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [0,1,0,1,0,0|0,1,0]=3 1814 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [0,1,0,1,0,0|2,0,0]=4 1815 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [0,1,0,1,0,0|1,0,0]=3 1816 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [0,1,0,1,0,0|2,0,0]=4 1817 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [0,1,0,1,0,0|1,0,0]=3 1818 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [0,1,0,1,0,0|1,0,0]=3 1819 B7R1.21 COCC1(CC1)F 34a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 1820 B7R1.21 COCC1(CC1)F 7a_200000703853_200000210301 [0,1,0,1,0,0|2,0,0]=4 1821 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [0,1,0,1,0,0|0,0,0]=2 1822 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [0,1,0,1,0,0|0,1,0]=3 1823 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [0,1,0,1,0,0|0,1,0]=3 1824 B7R1.21 [13CH3]OCC1(CC1)F 34a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 1825 B7R1.21 [13CH3]OCC1(CC1)F 7a_200000703853_200025704644 [0,1,0,1,0,0|2,0,0]=4 1826 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 1827 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [0,1,0,1,0,0|2,0,0]=4 1828 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [0,1,0,1,0,0|1,0,0]=3 1829 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [0,1,0,1,0,0|1,0,0]=3 1830 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 1831 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [0,1,0,1,0,0|2,0,0]=4 1832 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [0,1,0,1,0,0|2,0,0]=4 1833 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,1,0,1,0,0|1,0,0]=3 1834 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [0,1,0,1,0,0|1,0,0]=3 1835 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [0,1,0,1,0,0|1,0,0]=3 1836 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 1837 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [0,1,0,1,0,0|2,0,0]=4 1838 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [0,1,0,1,0,0|1,0,0]=3 1839 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [0,1,0,1,0,0|1,0,0]=3 1840 B7R1.25 CC1(COC1)N[13CH3] 2230a_100000732644_200025704644 [0,1,0,1,0,0|1,0,0]=3 1841 B7R1.25 CC1(CSC1)O[13CH3] 7a_100016018533_200025704644 [0,1,0,1,0,0|0,1,0]=3 1842 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 1843 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [0,1,0,1,0,0|2,0,0]=4 1844 B7R1.25 CNC1(COC1)C 2230a_100000732644_200000210301 [0,1,0,1,0,0|1,0,0]=3 1845 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [0,1,0,1,0,0|1,0,0]=3 1846 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [0,1,0,1,0,0|1,0,0]=3 1847 B7R1.25 COC1(CSC1)C 7a_100016018533_200000210301 [0,1,0,1,0,0|0,1,0]=3 1848 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,1,0,1,0,0|2,0,0]=4 1849 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,1,0,1,0,0|2,0,0]=4 1850 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,1,0,1,0,0|2,0,0]=4 1851 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,1,0,1,0,0|2,0,0]=4 1852 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,1,0,1,0,0|1,0,0]=3 1853 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1854 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1855 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,1,0,1,0,0|2,0,0]=4 1856 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,1,0,1,0,0|2,0,0]=4 1857 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,1,0,1,0,0|2,0,0]=4 1858 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1859 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1860 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,1,0,1,0,0|2,0,0]=4 1861 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,1,0,1,0,0|2,0,0]=4 1862 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,1,0,1,0,0|1,0,0]=3 1863 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,1,0,1,0,0|2,0,0]=4 1864 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,1,0,1,0,0|2,0,0]=4 1865 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,1,0,1,0,0|2,0,0]=4 1866 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,1,0,1,0,0|2,0,0]=4 1867 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,1,0,1,0,0|2,0,0]=4 1868 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,1,0,1,0,0|2,0,0]=4 1869 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,1,0,1,0,0|1,0,1]=4 1870 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,1,0,1,0,0|2,0,0]=4 1871 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,1,0,1,0,0|2,0,0]=4