0 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.9 C=CC(C=C)OC 34a_100000033096_200000210301 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.9 C=CC(C=C)O[13CH3] 34a_100000033096_200025704644 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [0,0,0,0,0,0|2,0,0]=2 20 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [0,0,0,0,0,0|2,0,0]=2 24 B6R0.9 CCN(CC)CC 2230a_100000724800_100000210202 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.9 CCN(CC)CC 269956a_100000042499_100000210202 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.9 CCN(CC)CC 269982a_100000724800_100000204670 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.9 CCN(CC)CF 269956a_100000042499_100015361967 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.9 CCN(CC)CF 269982a_100000724800_100015361967 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.9 COC(CCl)CCl 7a_100000737055_200000210301 [0,0,0,0,0,0|3,0,1]=4 36 B6R0.9 COC(CF)CF 34a_100000032261_200000210301 [0,0,0,0,0,0|3,0,1]=4 37 B6R0.9 COC(CF)CF 7a_100000032261_200000210301 [0,0,0,0,0,0|3,0,1]=4 38 B6R0.9 COC(CN)CN 34a_100000031598_200000210301 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.9 CO[C@@H](CF)CCl 34a_100015614560_200000210301 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.9 CO[C@@H](CF)CCl 7a_100015614560_200000210301 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [0,0,0,0,0,0|2,0,1]=3 43 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.9 [13CH3]OC(CCl)CCl 7a_100000737055_200025704644 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.9 [13CH3]OC(CF)CF 34a_100000032261_200025704644 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.9 [13CH3]OC(CF)CF 7a_100000032261_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.9 [13CH3]OC(CN)CN 34a_100000031598_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.9 [13CH3]O[C@@H](CF)CCl 34a_100015614560_200025704644 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.9 [13CH3]O[C@@H](CF)CCl 7a_100015614560_200025704644 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [1,0,0,0,0,0|0,0,3]=4 53 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|0,0,3]=4 66 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,0]=3 70 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [1,0,0,0,0,0|0,0,1]=2 79 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 83 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 84 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|1,0,1]=3 93 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|1,0,1]=3 94 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|1,0,1]=3 95 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|1,0,1]=3 96 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|1,0,1]=3 98 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|1,0,1]=3 102 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 103 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.3 CNC(=O)NC 2708a_100102657272_106832991635 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.3 CNC(=O)NC 273464a_100102657272_100102657272 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.3 CNC(=O)NC 512a_106832991638_100102657272 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,2]=4 116 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,2]=4 117 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,2]=4 118 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 122 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|1,0,2]=4 131 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|1,0,2]=4 132 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,2]=4 133 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|1,0,2]=4 134 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.12 C#CC(CC)OCC 34a_100000758843_100000210202 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.12 C#CC(CC)OCC 7a_100000758843_100000210202 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.12 C#CC(CC)OCF 34a_100000758843_100015361967 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.12 C#CC(CC)OCF 7a_100000758843_100015361967 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [0,1,0,0,0,0|2,0,1]=4 141 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [0,1,0,0,0,0|2,0,1]=4 144 B7R0.12 C#CCC(CC)OC 34a_200011217983_200000210301 [0,1,0,0,0,0|2,0,1]=4 145 B7R0.12 C#CCC(CC)OC 7a_200011217983_200000210301 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.12 C#CCC(CC)O[13CH3] 34a_200011217983_200025704644 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.12 C#CCC(CC)O[13CH3] 7a_200011217983_200025704644 [0,1,0,0,0,0|2,0,1]=4 148 B7R0.12 C#CCN(CC)CC 2230a_100000724800_100000038162 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.12 C#CCN(CC)CC 2230a_100000744766_100000210202 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.12 C#CCN(CC)CC 269956a_100000042499_100000184674 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.12 C#CCN(CC)CC 269982a_100000744766_100000204670 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.12 C=CC(C=C)OCC 34a_100000033096_100000210202 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.12 C=CC(CC)OCF 34a_100000766422_100015361967 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.12 C=CC(CC)OCF 7a_100000766422_100015361967 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [0,1,0,0,0,0|2,0,0]=3 158 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [0,1,0,0,0,0|2,0,0]=3 159 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.12 C=CCC(C=C)OC 34a_100000038011_200000210301 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.12 C=CCC(C=C)OC 7a_100000038011_200000210301 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.12 C=CCC(C=C)O[13CH3] 34a_100000038011_200025704644 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.12 C=CCC(C=C)O[13CH3] 7a_100000038011_200025704644 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.12 C=CCN(CC)CC 2230a_100000724800_100000210623 [0,1,0,0,0,0|2,0,0]=3 166 B7R0.12 C=CCN(CC)CC 269956a_100000042499_100000210623 [0,1,0,0,0,0|2,0,0]=3 167 B7R0.12 C=CCN(CC)CC 269982a_100000724800_100000210623 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [0,1,0,0,0,0|2,0,0]=3 171 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [0,1,0,0,0,0|2,0,0]=3 172 B7R0.12 C=C[C@@H](CO)NCF 34a_100016989147_100015361967 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.12 CC#CC(CC)OC 34a_200011219922_200000210301 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.12 CC#CC(CC)OC 7a_200011219922_200000210301 [0,1,0,0,0,0|2,0,1]=4 175 B7R0.12 CC#CC(CC)O[13CH3] 34a_200011219922_200025704644 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.12 CC#CC(CC)O[13CH3] 7a_200011219922_200025704644 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [0,1,0,0,0,0|1,0,1]=3 178 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [0,1,0,0,0,0|1,0,1]=3 179 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [0,1,0,0,0,0|1,0,1]=3 180 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [0,1,0,0,0,0|1,0,1]=3 181 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [0,1,0,0,0,0|1,0,1]=3 184 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [0,1,0,0,0,0|0,0,2]=3 186 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [0,1,0,0,0,0|0,0,2]=3 187 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [0,1,0,0,0,0|0,1,1]=3 188 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [0,1,0,0,0,0|0,1,1]=3 189 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [0,1,0,0,0,0|0,1,1]=3 190 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [0,1,0,0,0,0|0,1,1]=3 191 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.12 CCC(CC)SCF 62a_100000210505_100015361967 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.12 CCC(CC)SCF 62a_100015361967_100000210505 [0,1,0,0,0,0|1,0,1]=3 194 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [0,1,0,0,0,0|2,0,0]=3 195 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [0,1,0,0,0,0|2,0,0]=3 196 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [0,1,0,0,0,0|2,0,0]=3 197 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [0,1,0,0,0,0|2,0,0]=3 198 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [0,1,0,0,0,0|2,0,0]=3 199 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [0,1,0,0,0,0|2,0,0]=3 201 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [0,1,0,0,0,0|2,0,0]=3 202 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [0,1,0,0,0,0|2,0,0]=3 203 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [0,1,0,0,0,0|2,0,1]=4 204 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [0,1,0,0,0,0|2,0,1]=4 205 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [0,1,0,0,0,0|2,0,1]=4 207 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [0,1,0,0,0,0|2,0,0]=3 208 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [0,1,0,0,0,0|2,0,0]=3 209 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [0,1,0,0,0,0|2,0,0]=3 210 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [0,1,0,0,0,0|2,0,0]=3 212 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [0,1,0,0,0,0|2,0,0]=3 213 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [0,1,0,0,0,0|2,0,0]=3 215 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [0,1,0,0,0,0|2,0,0]=3 216 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [0,1,0,0,0,0|2,0,0]=3 217 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [0,1,0,0,0,0|2,0,1]=4 222 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [0,1,0,0,0,0|2,0,1]=4 224 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [0,1,0,0,0,0|2,0,1]=4 225 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [0,1,0,0,0,0|1,0,2]=4 227 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [0,1,0,0,0,0|1,0,2]=4 228 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.12 CCN(CC)CC#N 2230a_100000724800_100011215382 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.12 CCN(CC)CC#N 269956a_100000042499_100011215382 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.12 CCN(CC)CC#N 269982a_100000724800_100011214920 [0,1,0,0,0,0|2,0,1]=4 232 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [0,1,0,0,0,0|1,0,0]=2 233 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [0,1,0,0,0,0|1,0,0]=2 234 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [0,1,0,0,0,0|1,0,0]=2 235 B7R0.12 CCN(CC)CCF 2230a_100000724800_100011217306 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.12 CCN(CC)CCF 269956a_100000042499_100011217306 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.12 CCN(CC)CCF 269982a_100000724800_100011217306 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.12 CCN(CC)COC 2230a_100000724800_100000766300 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.12 CCN(CC)COC 269956a_100000042499_100000766300 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.12 CCN(CC)COC 269982a_100000724800_100000766300 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.12 CCN(CC)COC 7a_200015374951_200000210301 [0,1,0,0,0,0|1,0,2]=4 247 B7R0.12 CCN(CC)CO[13CH3] 7a_200015374951_200025704644 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.12 CCN(CC)CSC 2230a_100000724800_100011218213 [0,1,0,0,0,0|1,1,1]=4 249 B7R0.12 CCN(CC)CSC 269956a_100000042499_100011218213 [0,1,0,0,0,0|1,1,1]=4 250 B7R0.12 CCN(CC)CSC 269982a_100000724800_100011218213 [0,1,0,0,0,0|1,1,1]=4 251 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.12 CCNC(C=O)C=O 2230a_100015525214_100000736813 [0,1,0,0,0,0|1,0,1]=3 253 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [0,1,0,0,0,0|1,0,1]=3 255 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [0,1,0,0,0,0|0,0,2]=3 257 B7R0.12 CCOC(C=O)C=O 34a_100121572206_100000736813 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [0,1,0,0,0,0|1,0,1]=3 259 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [0,1,0,0,0,0|2,0,1]=4 260 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 264 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [0,1,0,0,0,0|2,0,1]=4 265 B7R0.12 CCSC(C=O)C=O 62a_100000210202_100000736813 [0,1,0,0,0,0|1,0,1]=3 266 B7R0.12 CCSC(C=O)C=O 62a_100000736813_100000210202 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [0,1,0,0,0,0|1,0,1]=3 268 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.12 CC[C@H](CC#N)NC 2230a_200009818565_200000210301 [0,1,0,0,0,0|2,0,1]=4 270 B7R0.12 CC[C@H](CC#N)N[13CH3] 2230a_200009818565_200025704644 [0,1,0,0,0,0|2,0,1]=4 271 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.12 CNCC(OC)OC 2230a_106832991635_100000751394 [0,1,0,0,0,0|3,0,0]=4 274 B7R0.12 CNCC(OC)OC 270004a_106832991635_100000752162 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.12 CNCC(OC)OC 34a_100102657272_100000211822 [0,1,0,0,0,0|3,0,0]=4 276 B7R0.12 CNCC(OC)OC 7a_106832991635_100000751394 [0,1,0,0,0,0|3,0,0]=4 277 B7R0.12 COC(CO[13CH3])OC 34a_100011216393_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B7R0.12 COC(CSC)OC 62a_100000751394_200000210301 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.12 COC(CSC)OC 62a_200000210301_100000751394 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.12 COC(CS[13CH3])OC 62a_100000751394_200025704644 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.12 COC(CS[13CH3])OC 62a_200025704644_100000751394 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [0,1,0,0,0,0|2,0,1]=4 283 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [0,1,0,0,0,0|2,0,1]=4 284 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [0,1,0,0,0,0|2,0,1]=4 285 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [0,1,0,0,0,0|2,0,1]=4 286 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.12 COCC(OC)OC 34a_100011216393_200000210301 [0,1,0,0,0,0|3,0,0]=4 289 B7R0.12 COCC(OC)OC 34a_100138415774_100000211822 [0,1,0,0,0,0|3,0,0]=4 290 B7R0.12 O=CC(C=O)SCF 62a_100000736813_100015361967 [0,1,0,0,0,0|2,0,1]=4 291 B7R0.12 O=CC(C=O)SCF 62a_100015361967_100000736813 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [0,1,0,0,0,0|2,0,1]=4 293 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [0,1,0,0,0,0|2,0,0]=3 298 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [0,1,0,0,0,0|2,0,0]=3 299 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [0,1,0,0,0,0|2,0,0]=3 300 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [0,1,0,0,0,0|2,0,1]=4 305 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [0,1,0,0,0,0|1,0,2]=4 306 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [0,1,0,0,0,0|1,0,2]=4 307 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|0,0,0]=1 308 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|0,0,0]=1 309 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|0,0,0]=1 310 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,0,0,0,0|2,0,0]=3 315 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|1,0,0]=2 317 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|1,0,0]=2 318 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|1,0,0]=2 319 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|1,0,0]=2 320 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|1,0,0]=2 321 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,0]=3 322 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|1,0,0]=2 323 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|1,0,0]=2 327 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|2,0,0]=3 328 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|2,0,0]=3 329 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,0,0]=2 332 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,0,0]=2 333 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,0,0]=2 334 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,0,0]=2 335 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|1,0,0]=2 336 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|1,0,0]=2 337 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|1,0,0]=2 338 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [0,1,0,0,0,0|2,0,1]=4 340 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [0,1,0,0,0,0|2,0,1]=4 342 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [0,1,0,0,0,0|2,0,1]=4 343 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [0,1,0,0,0,0|2,0,1]=4 344 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|1,0,0]=2 347 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|2,0,0]=3 348 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|2,0,0]=3 349 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [0,1,0,0,0,0|2,0,1]=4 352 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,0,0,0,0|2,0,1]=4 353 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|2,0,0]=3 354 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 355 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 356 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,0,0|1,0,2]=4 359 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,0,0|1,0,2]=4 360 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [0,1,0,0,0,0|2,0,1]=4 363 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,0,0|2,0,0]=3 364 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,0,0|2,0,0]=3 365 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,0,0|1,0,2]=4 366 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,0,0,0,0|2,0,1]=4 368 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 370 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [0,1,0,0,0,0|2,0,1]=4 373 B7R0.18 C#CC(C)(CC)OC 34a_100000686493_200000210301 [0,1,0,0,0,0|2,0,1]=4 374 B7R0.18 C#CC(C)(CC)OC 7a_100000686493_200000210301 [0,1,0,0,0,0|2,0,1]=4 375 B7R0.18 C#CC(C)(CC)O[13CH3] 34a_100000686493_200025704644 [0,1,0,0,0,0|2,0,1]=4 376 B7R0.18 C#CC(C)(CC)O[13CH3] 7a_100000686493_200025704644 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.18 CCC(C)(C#N)OC 7a_100000760259_200000210301 [0,1,0,0,0,0|2,0,1]=4 378 B7R0.18 CCC(C)(C#N)O[13CH3] 7a_100000760259_200025704644 [0,1,0,0,0,0|2,0,1]=4 379 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [0,1,0,0,0,0|2,0,0]=3 380 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [0,1,0,0,0,0|2,0,0]=3 383 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [0,1,0,0,0,0|2,0,0]=3 384 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [0,1,0,0,0,0|2,0,0]=3 385 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [0,1,0,0,0,0|2,0,0]=3 386 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [0,0,0,1,0,0|2,0,1]=4 388 B7R1.1 CCN1CCSC1 2230a_100011215254_100000210202 [0,0,0,1,0,0|1,1,1]=4 389 B7R1.1 CCN1CCSC1 269982a_100011215254_100000204670 [0,0,0,1,0,0|1,1,1]=4 390 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 391 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [0,0,0,1,0,0|2,0,0]=3 393 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [0,0,0,1,0,0|2,0,0]=3 394 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [0,0,0,1,0,0|2,0,0]=3 396 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [0,0,0,1,0,0|1,0,2]=4 397 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [0,0,0,1,0,0|1,0,2]=4 398 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [0,0,0,1,0,0|1,0,2]=4 399 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [0,0,0,1,0,0|1,0,2]=4 400 B7R1.1 CNC1CCSC1 270004a_106832991635_100000212027 [0,0,0,1,0,0|1,1,1]=4 401 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [0,0,0,1,0,0|1,0,2]=4 402 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [0,0,0,1,0,0|1,0,2]=4 403 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [0,0,0,1,0,0|1,0,2]=4 404 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 405 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [0,0,0,1,0,0|2,0,0]=3 406 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [0,0,0,1,0,0|2,0,0]=3 407 B7R1.1 COC1CCCO1 34a_100000085407_200000210301 [0,0,0,1,0,0|3,0,0]=4 408 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [0,0,0,1,0,0|1,0,2]=4 409 B7R1.1 COC1CCSC1 7a_100011232664_200000210301 [0,0,0,1,0,0|1,1,1]=4 410 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [0,0,0,1,0,0|1,0,2]=4 411 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [0,0,0,1,0,0|2,0,0]=3 412 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [0,0,0,1,0,0|2,0,0]=3 413 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [0,0,0,1,0,0|1,0,2]=4 414 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [0,0,0,1,0,0|2,0,1]=4 415 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 416 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [0,0,0,1,0,0|2,0,0]=3 417 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [0,0,0,1,0,0|1,0,2]=4 418 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [0,0,0,1,0,0|1,0,2]=4 419 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [0,0,0,1,0,0|1,0,2]=4 420 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 421 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [0,0,0,1,0,0|2,0,0]=3 422 B7R1.1 [13CH3]OC1CCCO1 34a_100000085407_200025704644 [0,0,0,1,0,0|3,0,0]=4 423 B7R1.1 [13CH3]OC1CCSC1 7a_100011232664_200025704644 [0,0,0,1,0,0|1,1,1]=4 424 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [0,0,0,1,0,0|1,0,2]=4 425 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [0,0,0,1,0,0|2,0,0]=3 426 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [0,0,0,1,0,0|2,0,0]=3 427 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [0,0,0,1,0,0|1,0,2]=4 428 B7R1.8 CC1CCN1CF 269982a_100000755817_100015361967 [0,0,0,1,0,0|2,0,1]=4 429 B7R1.8 CC1CCN1CF 34a_100000755817_100015361967 [0,0,0,1,0,0|2,0,1]=4 430 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [0,0,0,1,0,0|2,0,1]=4 431 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [0,0,0,1,0,0|2,0,1]=4 432 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|1,0,0]=2 433 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|1,0,0]=2 434 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|1,0,0]=2 435 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|1,0,0]=2 436 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|1,0,0]=2 437 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|1,0,0]=2 438 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|1,0,0]=2 439 B7R1.29 C#CC1(CC1)NC 34a_100020639468_200000210301 [0,0,0,1,0,0|2,0,1]=4 440 B7R1.29 C#CC1(CC1)N[13CH3] 34a_100020639468_200025704644 [0,0,0,1,0,0|2,0,1]=4 441 B7R1.29 CCC1(CC1)NC 2230a_100000732774_200000210301 [0,0,0,1,0,0|2,0,0]=3 442 B7R1.29 CCC1(CC1)N[13CH3] 2230a_100000732774_200025704644 [0,0,0,1,0,0|2,0,0]=3 443 B7R1.29 CNC1(CC1)C#N 2230a_100000756336_200000210301 [0,0,0,1,0,0|2,0,1]=4 444 B7R1.29 CNC1(CC1)C#N 34a_100000756336_200000210301 [0,0,0,1,0,0|2,0,1]=4 445 B7R1.29 CNC1(CC1)C#N 34a_100102657272_100009889376 [0,0,0,1,0,0|2,0,1]=4 446 B7R1.29 CNC1(CC1)CF 2230a_100000054953_200000210301 [0,0,0,1,0,0|2,0,1]=4 447 B7R1.29 CNC1(CC1)CF 34a_100000054953_200000210301 [0,0,0,1,0,0|2,0,1]=4 448 B7R1.29 COC1(CC1)C#N 34a_100138415774_100009889376 [0,0,0,1,0,0|2,0,1]=4 449 B7R1.29 CSC1(CC1)C#N 62a_100009889376_200000210301 [0,0,0,1,0,0|2,0,1]=4 450 B7R1.29 CSC1(CC1)C#N 62a_200000210301_100009889376 [0,0,0,1,0,0|2,0,1]=4 451 B7R1.29 [13CH3]NC1(CC1)C#N 2230a_100000756336_200025704644 [0,0,0,1,0,0|2,0,1]=4 452 B7R1.29 [13CH3]NC1(CC1)C#N 34a_100000756336_200025704644 [0,0,0,1,0,0|2,0,1]=4 453 B7R1.29 [13CH3]NC1(CC1)CF 2230a_100000054953_200025704644 [0,0,0,1,0,0|2,0,1]=4 454 B7R1.29 [13CH3]NC1(CC1)CF 34a_100000054953_200025704644 [0,0,0,1,0,0|2,0,1]=4 455 B7R1.29 [13CH3]SC1(CC1)C#N 62a_100009889376_200025704644 [0,0,0,1,0,0|2,0,1]=4 456 B7R1.29 [13CH3]SC1(CC1)C#N 62a_200025704644_100009889376 [0,0,0,1,0,0|2,0,1]=4 457 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 459 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 460 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 462 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 463 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 464 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 465 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 466 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 467 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 469 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 477 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 478 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 481 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 482 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 483 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 484 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 485 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 486 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 487 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 488 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 489 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 490 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 491 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 492 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 493 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 496 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 497 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 499 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 500 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|1,0,0]=3 501 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|1,0,0]=3 502 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|1,0,0]=3 503 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|1,0,0]=3 504 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|1,0,0]=3 505 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|1,0,0]=3 506 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|1,0,0]=3 507 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|1,0,0]=3 508 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|1,0,0]=3 509 B4R0.2 CCNCC 2230a_100015525214_100000210202 [2,0,0,0,0,0|1,0,0]=3 510 B4R0.2 CCOCC 34a_100121572206_100000210202 [2,0,0,0,0,0|1,0,0]=3 511 B4R0.2 CCOCF 34a_100121572206_100015361967 [2,0,0,0,0,0|2,0,0]=4 512 B4R0.2 CCSCC 62a_100000210202_100000210202 [2,0,0,0,0,0|1,0,0]=3 513 B4R0.2 CCSCF 62a_100000210202_100015361967 [2,0,0,0,0,0|2,0,0]=4 514 B4R0.2 CCSCF 62a_100015361967_100000210202 [2,0,0,0,0,0|2,0,0]=4 515 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 516 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 517 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 518 B4R0.2 CNCCF 2230a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 519 B4R0.2 CNCCF 34a_100000724931_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B4R0.2 CNCCF 34a_100102657272_100011217306 [2,0,0,0,0,0|2,0,0]=4 521 B4R0.2 CNCCF 7a_106832991635_100011217306 [2,0,0,0,0,0|2,0,0]=4 522 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|2,0,0]=4 523 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 524 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|2,0,0]=4 525 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|2,0,0]=4 526 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|2,0,0]=4 527 B4R0.2 CNCOC 2230a_106832991635_100000766300 [2,0,0,0,0,0|2,0,0]=4 528 B4R0.2 CNCSC 2230a_106832991635_100011218213 [2,0,0,0,0,0|2,0,0]=4 529 B4R0.2 CNCSC 34a_100102657272_100011218213 [2,0,0,0,0,0|2,0,0]=4 530 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 COCCBr 34a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 532 B4R0.2 COCCF 34a_100138415774_100011217306 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.2 COCCN 34a_100000210304_200000210301 [2,0,0,0,0,0|2,0,0]=4 534 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 COCSC 34a_100138415774_100011218213 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 COCSC 62a_100000766300_200000210301 [2,0,0,0,0,0|2,0,0]=4 537 B4R0.2 COCSC 62a_200000210301_100000766300 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 COCS[13CH3] 62a_100000766300_200025704644 [2,0,0,0,0,0|2,0,0]=4 539 B4R0.2 COCS[13CH3] 62a_200025704644_100000766300 [2,0,0,0,0,0|2,0,0]=4 540 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 541 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 542 B4R0.2 CSCCF 62a_100011217306_200000210301 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 CSCCF 62a_200000210301_100011217306 [2,0,0,0,0,0|2,0,0]=4 544 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|2,0,0]=4 545 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|2,0,0]=4 546 B4R0.2 CSCSC 62a_100011218213_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B4R0.2 CSCSC 62a_200000210301_100011218213 [2,0,0,0,0,0|2,0,0]=4 548 B4R0.2 CSCS[13CH3] 62a_100011218213_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B4R0.2 CSCS[13CH3] 62a_200025704644_100011218213 [2,0,0,0,0,0|2,0,0]=4 550 B4R0.2 [13CH3]NCCF 34a_100000724931_200025704644 [2,0,0,0,0,0|2,0,0]=4 551 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|2,0,0]=4 552 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|2,0,0]=4 553 B4R0.2 [13CH3]OCCBr 34a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 554 B4R0.2 [13CH3]OCCN 34a_100000210304_200025704644 [2,0,0,0,0,0|2,0,0]=4 555 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 556 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 557 B4R0.2 [13CH3]SCCF 62a_100011217306_200025704644 [2,0,0,0,0,0|2,0,0]=4 558 B4R0.2 [13CH3]SCCF 62a_200025704644_100011217306 [2,0,0,0,0,0|2,0,0]=4 559 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|2,0,0]=4 560 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|2,0,0]=4 561 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,1,0,0,0,0|1,0,1]=4 563 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,1,0,0,0,0|1,0,1]=4 564 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,1,0,0,0,0|1,0,1]=4 565 B6R0.1 C#CCC(=O)CC 1458a_100000210414_100000184674 [1,1,0,0,0,0|0,0,2]=4 566 B6R0.1 C#CCC(=O)CC 1458a_100011220946_100000210202 [1,1,0,0,0,0|0,0,2]=4 567 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.1 C/C=C/C(C)OC 34a_200102604097_200000210301 [1,1,0,0,0,0|2,0,0]=4 570 B6R0.1 C/C=C/C(C)O[13CH3] 34a_200102604097_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,1,0,0,0,0|1,0,0]=3 572 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,1,0,0,0,0|1,0,0]=3 573 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,1,0,0,0,0|1,0,0]=3 574 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,1,0,0,0,0|1,0,0]=3 575 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,1,0,0,0,0|1,0,0]=3 576 B6R0.1 C=CC(C)OCF 34a_100000695699_100015361967 [1,1,0,0,0,0|2,0,0]=4 577 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,1,0,0,0,0|1,0,0]=3 578 B6R0.1 C=CC(C)SCF 62a_100011215867_100015361967 [1,1,0,0,0,0|2,0,0]=4 579 B6R0.1 C=CC(O)CNC 2230a_106832991635_100000730141 [1,1,0,0,0,0|2,0,0]=4 580 B6R0.1 C=CC(O)CNC 34a_100102657272_100000730141 [1,1,0,0,0,0|2,0,0]=4 581 B6R0.1 C=CC(O)CNC 7a_106832991635_100000730141 [1,1,0,0,0,0|2,0,0]=4 582 B6R0.1 C=CC(O)COC 34a_100138415774_100000730141 [1,1,0,0,0,0|2,0,0]=4 583 B6R0.1 C=CC(O)CSC 62a_100000730141_200000210301 [1,1,0,0,0,0|2,0,0]=4 584 B6R0.1 C=CC(O)CSC 62a_200000210301_100000730141 [1,1,0,0,0,0|2,0,0]=4 585 B6R0.1 C=CC(O)CS[13CH3] 62a_100000730141_200025704644 [1,1,0,0,0,0|2,0,0]=4 586 B6R0.1 C=CC(O)CS[13CH3] 62a_200025704644_100000730141 [1,1,0,0,0,0|2,0,0]=4 587 B6R0.1 C=CCC(=O)CC 1458a_100000210193_100000210202 [1,1,0,0,0,0|0,0,2]=4 588 B6R0.1 C=CCC(=O)CC 1458a_100000210414_100000210623 [1,1,0,0,0,0|0,0,2]=4 589 B6R0.1 C=CCN(C)CC 2230a_100000225617_100000210202 [1,1,0,0,0,0|2,0,0]=4 590 B6R0.1 C=CCN(C)CC 2230a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 591 B6R0.1 C=CCN(C)CC 269982a_100000225617_100000204670 [1,1,0,0,0,0|2,0,0]=4 592 B6R0.1 C=CCN(C)CC 269982a_100000225621_100000210623 [1,1,0,0,0,0|2,0,0]=4 593 B6R0.1 C=CC[C@@H](C)OC 34a_100000731007_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B6R0.1 C=CC[C@@H](C)OC 7a_100000731007_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B6R0.1 C=CC[C@@H](C)O[13CH3] 34a_100000731007_200025704644 [1,1,0,0,0,0|2,0,0]=4 596 B6R0.1 C=CC[C@@H](C)O[13CH3] 7a_100000731007_200025704644 [1,1,0,0,0,0|2,0,0]=4 597 B6R0.1 C=C[C@H](N)COC 34a_100016989147_200000210301 [1,1,0,0,0,0|2,0,0]=4 598 B6R0.1 C=C[C@H](N)CO[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|2,0,0]=4 599 B6R0.1 CC#CC(=O)CC 1458a_100000763181_100000210202 [1,1,0,0,0,0|0,0,2]=4 600 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,1,0,0,0,0|1,0,1]=4 602 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,1,0,0,0,0|0,0,2]=4 605 B6R0.1 CC=CC(=O)CC 1458a_100000210699_100000210202 [1,1,0,0,0,0|0,0,2]=4 606 B6R0.1 CCC(=O)CC#N 1458a_100000210414_100011214920 [1,1,0,0,0,0|0,0,2]=4 607 B6R0.1 CCC(=O)CC#N 1458a_100051588842_100000210202 [1,1,0,0,0,0|0,0,2]=4 608 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|0,0,1]=3 609 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|0,0,1]=3 610 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|0,0,1]=3 611 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|0,0,1]=3 612 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|0,0,1]=3 613 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|0,0,1]=3 614 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|0,0,1]=3 615 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|0,0,1]=3 616 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|0,0,1]=3 617 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|0,0,1]=3 619 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|0,0,1]=3 620 B6R0.1 CCC(=O)NNC 22a_100016993582_100000210414 [1,1,0,0,0,0|1,0,1]=4 621 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,1,0,0,0,0|0,0,1]=3 622 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,1,0,0,0,0|0,0,1]=3 623 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,1,0,0,0,0|0,0,1]=3 624 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,1,0,0,0,0|0,0,1]=3 625 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,1,0,0,0,0|0,0,1]=3 626 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,1,0,0,0,0|0,0,1]=3 627 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,1,0,0,0,0|0,0,1]=3 628 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,1,0,0,0,0|0,0,1]=3 629 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,1,0,0,0,0|0,0,1]=3 630 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,1,0,0,0,0|0,0,1]=3 631 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,1,0,0,0,0|0,0,1]=3 632 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,1,0,0,0,0|1,0,1]=4 634 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,1,0,0,0,0|1,0,1]=4 635 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,1,0,0,0,0|0,0,1]=3 636 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,1,0,0,0,0|0,0,1]=3 637 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,1,0,0,0,0|0,0,1]=3 638 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,1,0,0,0,0|0,0,1]=3 639 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,1,0,0,0,0|0,0,1]=3 640 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,1,0,0,0,0|0,0,1]=3 642 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,1,0,0,0,0|0,0,1]=3 643 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,1,0,0,0,0|0,0,1]=3 644 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,1,0,0,0,0|0,0,1]=3 645 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|0,0,1]=3 646 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|0,0,1]=3 647 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,1]=4 648 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|1,0,1]=4 649 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 652 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 655 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,1,0,0,0,0|1,0,1]=4 656 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,1,0,0,0,0|1,0,1]=4 659 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 660 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 662 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,1,0,0,0,0|1,0,1]=4 665 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,1,0,0,0,0|1,0,1]=4 674 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,1,0,0,0,0|1,0,1]=4 676 B6R0.1 CCN(C)CC=O 2230a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 677 B6R0.1 CCN(C)CC=O 269982a_100000225621_200015260668 [1,1,0,0,0,0|1,0,0]=3 678 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,1,0,0,0,0|1,0,1]=4 681 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,1,0,0,0,0|1,0,1]=4 683 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,1,0,0,0,0|1,0,1]=4 684 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,1,0,0,0,0|1,0,1]=4 685 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,1,0,0,0,0|1,0,1]=4 691 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,1,0,0,0,0|1,0,1]=4 692 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|0,0,1]=3 693 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|0,0,1]=3 694 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|0,0,1]=3 695 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 696 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,1]=4 697 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|1,0,1]=4 701 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|1,0,1]=4 702 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,1,0,0,0,0|1,0,1]=4 704 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,1,0,0,0,0|1,0,1]=4 705 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,1,0,0,0,0|0,0,1]=3 706 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,1,0,0,0,0|0,0,1]=3 707 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,1,0,0,0,0|0,0,2]=4 708 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,1,0,0,0,0|0,0,2]=4 709 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,1,0,0,0,0|1,0,1]=4 710 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,1,0,0,0,0|0,0,1]=3 711 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,1,0,0,0,0|0,0,1]=3 712 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,1,0,0,0,0|1,0,1]=4 713 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,1,0,0,0,0|1,0,1]=4 714 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 715 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,1,0,0,0,0|0,0,2]=4 716 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,1,0,0,0,0|1,0,1]=4 717 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,1,0,0,0,0|1,0,1]=4 718 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,1,0,0,0,0|0,0,1]=3 719 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,1,0,0,0,0|0,0,1]=3 720 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,1,0,0,0,0|0,0,2]=4 721 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,1,0,0,0,0|1,0,1]=4 722 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,1,0,0,0,0|1,0,1]=4 723 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,1,0,0,0,0|0,0,2]=4 724 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,1,0,0,0,0|0,0,2]=4 725 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,1,0,0,0,0|0,0,1]=3 726 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,1,0,0,0,0|0,0,1]=3 727 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,1,0,0,0,0|0,0,1]=3 728 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,1,0,0,0,0|0,0,1]=3 729 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,1,0,0,0,0|0,0,1]=3 730 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,1,0,0,0,0|0,0,1]=3 731 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,1,0,0,0,0|0,0,1]=3 732 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,1,0,0,0,0|0,0,1]=3 733 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,1,0,0,0,0|0,0,1]=3 734 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,1,0,0,0,0|0,0,1]=3 735 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|1,0,1]=4 736 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|1,0,1]=4 737 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|1,0,1]=4 738 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 739 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 740 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|1,0,1]=4 741 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|1,0,1]=4 742 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|1,0,1]=4 743 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|1,0,1]=4 745 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 747 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|1,0,1]=4 750 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|1,0,1]=4 751 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|1,0,1]=4 752 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 753 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,1,0,0,0,0|1,0,1]=4 756 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,1,0,0,0,0|1,0,1]=4 757 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,1,0,0,0,0|1,0,1]=4 759 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,1,0,0,0,0|1,0,1]=4 760 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|1,0,1]=4 761 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 762 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|1,0,1]=4 763 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|1,0,1]=4 764 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 765 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,1]=4 766 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,1]=4 767 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,1,0,0,0,0|0,0,2]=4 768 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 769 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,1,0,0,0,0|1,0,1]=4 770 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,1,0,0,0,0|1,0,1]=4 771 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,1,0,0,0,0|0,0,2]=4 772 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,1,0,0,0,0|0,0,2]=4 773 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,1,0,0,0,0|0,0,2]=4 774 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,1,0,0,0,0|1,0,1]=4 775 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,1,0,0,0,0|2,0,0]=4 776 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,1,0,0,0,0|1,0,1]=4 777 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,1,0,0,0,0|1,0,1]=4 778 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,1,0,0,0,0|1,0,1]=4 779 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 780 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,1,0,0,0,0|1,0,1]=4 781 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,1,0,0,0,0|1,0,1]=4 782 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,1,0,0,0,0|1,0,1]=4 783 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 784 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,1,0,0,0,0|1,0,1]=4 785 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,1,0,0,0,0|1,0,1]=4 786 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,1]=4 787 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,1]=4 788 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,1]=4 789 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,1]=4 790 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 791 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,1,0,0,0,0|1,0,1]=4 792 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,1,0,0,0,0|1,0,1]=4 793 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|1,0,1]=4 794 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,1]=4 795 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,1,0,0,0,0|1,0,1]=4 796 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,1,0,0,0,0|1,0,1]=4 797 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,1,0,0,0,0|1,0,1]=4 798 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,1,0,0,0,0|1,0,1]=4 799 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,1,0,0,0,0|2,0,0]=4 803 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,1,0,0,0,0|0,0,2]=4 805 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,1,0,0,0,0|1,0,1]=4 806 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,1,0,0,0,0|1,0,1]=4 807 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,1,0,0,0,0|1,0,1]=4 808 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,1,0,0,0,0|1,0,1]=4 809 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,1,0,0,0,0|1,0,1]=4 810 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,1,0,0,0,0|2,0,0]=4 811 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,1,0,0,0,0|1,0,1]=4 812 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,1,0,0,0,0|1,0,1]=4 813 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,1,0,0,0,0|1,0,1]=4 814 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|1,0,1]=4 815 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,1,0,0,0,0|1,0,1]=4 816 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,1,0,0,0,0|1,0,1]=4 817 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,1,0,0,0,0|0,0,2]=4 818 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,1,0,0,0,0|0,0,2]=4 819 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,1,0,0,0,0|1,0,1]=4 820 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,1,0,0,0,0|1,0,1]=4 821 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,1,0,0,0,0|1,0,1]=4 822 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,1,0,0,0,0|0,0,2]=4 824 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,1,0,0,0,0|0,0,2]=4 825 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 826 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,1,0,0,0,0|1,0,1]=4 827 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,1]=4 830 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,1,0,0,0,0|2,0,0]=4 831 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,1,0,0,0,0|1,0,1]=4 832 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,1,0,0,0,0|2,0,0]=4 833 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,1,0,0,0,0|2,0,0]=4 834 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,1,0,0,0,0|1,0,1]=4 835 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,1,0,0,0,0|1,0,1]=4 836 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,1,0,0,0,0|1,0,1]=4 837 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,1,0,0,0,0|1,0,1]=4 838 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,1,0,0,0,0|1,0,1]=4 839 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,1,0,0,0,0|1,0,1]=4 840 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,1,0,0,0,0|0,0,2]=4 841 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,1,0,0,0,0|0,0,2]=4 842 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,1,0,0,0,0|0,0,2]=4 843 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,1,0,0,0,0|0,0,2]=4 844 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,1,0,0,0,0|2,0,0]=4 845 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,1,0,0,0,0|0,0,2]=4 846 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,1,0,0,0,0|0,0,2]=4 847 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,1,0,0,0,0|2,0,0]=4 848 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,1,0,0,0,0|1,0,1]=4 849 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,1,0,0,0,0|1,0,1]=4 850 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,1,0,0,0,0|1,0,0]=3 851 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,1,0,0,0,0|1,0,0]=3 852 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,1,0,0,0,0|1,0,0]=3 853 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,1,0,0,0,0|2,0,0]=4 854 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,1,0,0,0,0|1,0,1]=4 855 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,1,0,0,0,0|1,0,1]=4 856 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,1,0,0,0,0|1,0,1]=4 857 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,1,0,0,0,0|1,0,1]=4 858 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,1,0,0,0,0|1,0,1]=4 859 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,1,0,0,0,0|1,0,1]=4 860 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,1,0,0,0,0|1,0,0]=3 861 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,1,0,0,0,0|1,0,0]=3 862 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,1,0,0,0,0|0,0,1]=3 863 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,1,0,0,0,0|0,0,1]=3 864 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,1,0,0,0,0|0,0,1]=3 865 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,1,0,0,0,0|1,0,1]=4 866 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 867 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 868 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 869 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,1,0,0,0,0|1,0,1]=4 870 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,1,0,0,0,0|0,0,1]=3 871 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,1,0,0,0,0|0,0,1]=3 872 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,1,0,0,0,0|0,0,0]=2 873 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,1,0,0,0,0|0,0,0]=2 874 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,1,0,0,0,0|0,0,0]=2 875 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 876 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 877 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,1,0,0,0,0|1,0,1]=4 879 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 880 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,1,0,0,0,0|1,0,1]=4 881 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,1,0,0,0,0|1,0,0]=3 882 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,1,0,0,0,0|1,0,0]=3 883 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 884 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 885 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,1,0,0,0,0|1,0,0]=3 886 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,1,0,0,0,0|1,0,0]=3 887 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,1,0,0,0,0|1,0,1]=4 892 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 893 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 896 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 897 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,1,0,0,0,0|1,0,1]=4 898 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,1,0,0,0,0|1,0,1]=4 899 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,1,0,0,0,0|1,0,1]=4 900 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,1,0,0,0,0|1,0,1]=4 901 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,1,0,0,0,0|1,0,1]=4 902 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,1,0,0,0,0|1,0,1]=4 904 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,1,0,0,0,0|1,0,1]=4 905 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,1,0,0,0,0|1,0,0]=3 906 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,1,0,0,0,0|1,0,0]=3 907 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,1,0,0,0,0|1,0,0]=3 908 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,1,0,0,0,0|1,0,0]=3 909 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,1,0,0,0,0|1,0,0]=3 910 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,1,0,0,0,0|1,0,1]=4 911 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 912 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,1,0,0,0,0|2,0,0]=4 913 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,1,0,0,0,0|2,0,0]=4 914 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,1,0,0,0,0|2,0,0]=4 915 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,1,0,0,0,0|1,0,0]=3 916 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,1,0,0,0,0|1,0,0]=3 917 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,1,0,0,0,0|1,0,0]=3 918 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,1,0,0,0,0|1,0,0]=3 919 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,1,0,0,0,0|1,0,0]=3 920 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,1,0,0,0,0|1,0,0]=3 921 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,1,0,0,0,0|1,0,0]=3 922 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,1,0,0,0,0|1,0,1]=4 923 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,1,0,0,0,0|2,0,0]=4 924 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,1,0,0,0,0|1,0,0]=3 926 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,1,0,0,0,0|1,0,0]=3 927 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,1,0,0,0,0|1,0,0]=3 928 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,1,0,0,0,0|1,0,0]=3 929 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,1,0,0,0,0|1,0,0]=3 930 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,1,0,0,0,0|1,0,0]=3 931 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,1,0,0,0,0|1,0,0]=3 932 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,1,0,0,0,0|1,0,0]=3 933 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,1,0,0,0,0|1,0,0]=3 934 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,1,0,0,0,0|2,0,0]=4 935 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,1,0,0,0,0|2,0,0]=4 936 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,1,0,0,0,0|2,0,0]=4 937 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,1,0,0,0,0|2,0,0]=4 938 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,1,0,0,0,0|1,0,0]=3 939 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,1,0,0,0,0|1,0,0]=3 940 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,1,0,0,0,0|1,0,1]=4 941 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,1,0,0,0,0|1,0,0]=3 942 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,1,0,0,0,0|1,0,0]=3 943 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,1,0,0,0,0|1,0,0]=3 944 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,1,0,0,0,0|1,0,1]=4 945 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,1,0,0,0,0|1,0,0]=3 946 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,1,0,0,0,0|2,0,0]=4 947 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,1,0,0,0,0|2,0,0]=4 948 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,1,0,0,0,0|2,0,0]=4 951 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 952 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 953 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 954 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|1,0,1]=4 956 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|1,0,1]=4 957 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|1,0,1]=4 961 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|1,0,1]=4 962 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|1,0,1]=4 963 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.8 CCS(=O)(=O)NC 270084a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 965 B6R0.8 CCS(=O)(=O)NC 274078a_100102657272_100000211323 [1,1,0,0,0,0|2,0,0]=4 966 B6R0.8 CCS(=O)(=O)NC 40a_100102657272_100000053943 [1,1,0,0,0,0|2,0,0]=4 967 B8R0.11 C#CC(CC)OCC=O 34a_100000758843_200009817547 [0,2,0,0,0,0|0,0,2]=4 968 B8R0.11 C#CC(CC)OCC=O 7a_100000758843_200015260668 [0,2,0,0,0,0|0,0,2]=4 969 B8R0.11 C#CC(CC)OCCC 34a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 970 B8R0.11 C#CC(CC)OCCC 7a_100000758843_100000210303 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.11 C#CC(CC)OCCF 34a_100000758843_100011217306 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.11 C#CC(CC)OCCF 7a_100000758843_100011217306 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.11 C#CC(CC)OCCO 34a_100000758843_100000211926 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.11 C#CC(CC)OCCO 7a_100000758843_100000211926 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.11 C#CC(CC)OCSC 34a_100000758843_100011218213 [0,2,0,0,0,0|1,0,1]=4 976 B8R0.11 C#CCNC(CC)CC 2230a_100000199018_100000038162 [0,2,0,0,0,0|1,0,1]=4 977 B8R0.11 C#CCOC(C=C)CC 34a_100000766422_100000184674 [0,2,0,0,0,0|1,0,1]=4 978 B8R0.11 C#CCOC(C=C)CC 7a_100000766422_100000038162 [0,2,0,0,0,0|1,0,1]=4 979 B8R0.11 C#CCOC(CC)CC 7a_100000688536_100000038162 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.11 C#CCSC(CC)CC 62a_100000038162_100000210505 [0,2,0,0,0,0|1,0,1]=4 981 B8R0.11 C/C=C/CN(CC)CC 269956a_100000042499_100102629194 [0,2,0,0,0,0|2,0,0]=4 982 B8R0.11 C/C=C/CN(CC)CC 269982a_100000724800_100102629194 [0,2,0,0,0,0|2,0,0]=4 983 B8R0.11 C=CC(=NNCC)CC 4a_100000756455_100000747743 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.11 C=CC(CC)OCC#N 7a_100000766422_100011215382 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.11 C=CC(CC)OCC=O 34a_100000766422_200009817547 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.11 C=CC(CC)OCC=O 7a_100000766422_200015260668 [0,2,0,0,0,0|0,0,2]=4 987 B8R0.11 C=CC(CC)OCCC 34a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 988 B8R0.11 C=CC(CC)OCCC 7a_100000766422_100000210303 [0,2,0,0,0,0|1,0,0]=3 989 B8R0.11 C=CC(CC)OCCF 34a_100000766422_100011217306 [0,2,0,0,0,0|1,0,0]=3 990 B8R0.11 C=CC(CC)OCCF 7a_100000766422_100011217306 [0,2,0,0,0,0|1,0,0]=3 991 B8R0.11 C=CC(CC)OCCO 34a_100000766422_100000211926 [0,2,0,0,0,0|1,0,0]=3 992 B8R0.11 C=CC(CC)OCCO 7a_100000766422_100000211926 [0,2,0,0,0,0|1,0,0]=3 993 B8R0.11 C=CC(CC)OCSC 34a_100000766422_100011218213 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.11 C=CC(CCCC)OC 34a_200011215037_200000210301 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.11 C=CC(CCCC)OC 7a_200011215037_200000210301 [0,2,0,0,0,0|2,0,0]=4 996 B8R0.11 C=CC(CCCC)O[13CH3] 34a_200011215037_200025704644 [0,2,0,0,0,0|2,0,0]=4 997 B8R0.11 C=CC(CCCC)O[13CH3] 7a_200011215037_200025704644 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.11 C=CCCN(CC)CC 2230a_100000724800_100000754431 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.11 C=CCCN(CC)CC 269956a_100000042499_100000754431 [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.11 C=CCCN(CC)CC 269982a_100000724800_100000754431 [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.11 C=CCNC(CC)CC 2230a_100000199018_100000210623 [0,2,0,0,0,0|1,0,0]=3 1002 B8R0.11 C=CCNC(CC)CC 270004a_100020586998_100000210860 [0,2,0,0,0,0|1,0,0]=3 1003 B8R0.11 C=CCN[C@@H](CC)CO 2230a_100000709445_100000210623 [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.11 C=CCOC(C=C)CC 34a_100000766422_100015514636 [0,2,0,0,0,0|1,0,1]=4 1005 B8R0.11 C=CCOC(C=C)CC 7a_100000766422_100015514636 [0,2,0,0,0,0|1,0,1]=4 1006 B8R0.11 C=CCOC(CC)CC 7a_100000688536_100015514636 [0,2,0,0,0,0|1,0,0]=3 1007 B8R0.11 C=CCSC(CC)CC 62a_100000210505_100000210623 [0,2,0,0,0,0|1,0,0]=3 1008 B8R0.11 C=CCSC(CC)CC 62a_100000210623_100000210505 [0,2,0,0,0,0|1,0,0]=3 1009 B8R0.11 C=C[C@@H](CO)NCCC 2230a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.11 C=C[C@@H](CO)NCCC 34a_100016989147_100000210303 [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.11 C=C[C@@H](CO)NCCF 2230a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.11 C=C[C@@H](CO)NCCF 34a_100016989147_100011217306 [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.11 C=C[C@@H](CO)NCCO 2230a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.11 C=C[C@@H](CO)NCCO 34a_100016989147_100000211926 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.11 C=C[C@@H](CO)NCOC 2230a_100016989147_100000766300 [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.11 C=C[C@@H](CO)NCSC 2230a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.11 C=C[C@@H](CO)NCSC 34a_100016989147_100011218213 [0,2,0,0,0,0|2,0,0]=4 1018 B8R0.11 CC=CCN(CC)CC 2230a_100000724800_100000070051 [0,2,0,0,0,0|2,0,0]=4 1019 B8R0.11 CC=NNC(CC)CC 4a_100000756293_200000210099 [0,2,0,0,0,0|1,0,0]=3 1020 B8R0.11 CCC(CC)COCF 7a_100000703878_100015361967 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.11 CCC(CC)CSCF 62a_100011215472_100015361967 [0,2,0,0,0,0|0,1,1]=4 1022 B8R0.11 CCC(CC)CSCF 62a_100015361967_100011215472 [0,2,0,0,0,0|0,1,1]=4 1023 B8R0.11 CCC(CC)NCC#N 2230a_100000199018_100011215382 [0,2,0,0,0,0|1,0,1]=4 1024 B8R0.11 CCC(CC)NCC=O 2230a_100000199018_200015260668 [0,2,0,0,0,0|0,0,0]=2 1025 B8R0.11 CCC(CC)NCCF 2230a_100000199018_100011217306 [0,2,0,0,0,0|1,0,1]=4 1026 B8R0.11 CCC(CC)NCCO 2230a_100000199018_100000211926 [0,2,0,0,0,0|0,0,2]=4 1027 B8R0.11 CCC(CC)NCCO 270004a_100000210304_100000210860 [0,2,0,0,0,0|0,0,2]=4 1028 B8R0.11 CCC(CC)NCOC 2230a_100000199018_100000766300 [0,2,0,0,0,0|0,0,2]=4 1029 B8R0.11 CCC(CC)NCSC 2230a_100000199018_100011218213 [0,2,0,0,0,0|0,1,1]=4 1030 B8R0.11 CCC(CC)OCC#N 7a_100000688536_100011215382 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.11 CCC(CC)OCC=O 7a_100000688536_200015260668 [0,2,0,0,0,0|0,0,0]=2 1032 B8R0.11 CCC(CC)OCCF 7a_100000688536_100011217306 [0,2,0,0,0,0|1,0,1]=4 1033 B8R0.11 CCC(CC)OCCO 7a_100000688536_100000211926 [0,2,0,0,0,0|0,0,2]=4 1034 B8R0.11 CCC(CC)SCC#N 62a_100000210505_100011215382 [0,2,0,0,0,0|1,0,1]=4 1035 B8R0.11 CCC(CC)SCC#N 62a_100011215382_100000210505 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.11 CCC(CC)SCC=O 62a_100000210505_200015260668 [0,2,0,0,0,0|0,0,0]=2 1037 B8R0.11 CCC(CC)SCC=O 62a_200015260668_100000210505 [0,2,0,0,0,0|0,0,0]=2 1038 B8R0.11 CCC(CC)SCCF 62a_100000210505_100011217306 [0,2,0,0,0,0|1,0,1]=4 1039 B8R0.11 CCC(CC)SCCF 62a_100011217306_100000210505 [0,2,0,0,0,0|1,0,1]=4 1040 B8R0.11 CCC(CC)SCCO 62a_100000210505_100000211926 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.11 CCC(CC)SCCO 62a_100000211926_100000210505 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.11 CCC(CC)SCOC 62a_100000210505_100000766300 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.11 CCC(CC)SCOC 62a_100000766300_100000210505 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.11 CCC(CC)SCSC 62a_100000210505_100011218213 [0,2,0,0,0,0|0,1,1]=4 1045 B8R0.11 CCC(CC)SCSC 62a_100011218213_100000210505 [0,2,0,0,0,0|0,1,1]=4 1046 B8R0.11 CCC(COCF)OC 34a_100011934954_100015361967 [0,2,0,0,0,0|2,0,0]=4 1047 B8R0.11 CCC(COCF)OC 7a_100011934954_100015361967 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.11 CCCCC(CC)NC 270004a_106832991635_100000753412 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.11 CCCCC(CC)NC 34a_100102657272_200011216223 [0,2,0,0,0,0|2,0,0]=4 1050 B8R0.11 CCCCC(CC)NC 7a_106832991635_200011216223 [0,2,0,0,0,0|2,0,0]=4 1051 B8R0.11 CCCCC(CC)OC 34a_100011215227_200000210301 [0,2,0,0,0,0|2,0,0]=4 1052 B8R0.11 CCCCC(CC)OC 34a_100138415774_200011216223 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.11 CCCCC(CC)OC 7a_100011215227_200000210301 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.11 CCCCC(CC)O[13CH3] 34a_100011215227_200025704644 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.11 CCCCC(CC)O[13CH3] 7a_100011215227_200025704644 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.11 CCCCC(CC)SC 62a_200000210301_200011216223 [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.11 CCCCC(CC)SC 62a_200011216223_200000210301 [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.11 CCCCC(CC)S[13CH3] 62a_200011216223_200025704644 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.11 CCCCC(CC)S[13CH3] 62a_200025704644_200011216223 [0,2,0,0,0,0|2,0,0]=4 1060 B8R0.11 CCCNC(CC)CC 2230a_100000199018_100000210303 [0,2,0,0,0,0|1,0,1]=4 1061 B8R0.11 CCCNC(CC)CC 270004a_100020643023_100000210860 [0,2,0,0,0,0|1,0,1]=4 1062 B8R0.11 CCCN[C@@H](CC)CO 2230a_100000709445_100000210303 [0,2,0,0,0,0|0,0,2]=4 1063 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [0,2,0,0,0,0|1,0,1]=4 1064 B8R0.11 CCCOC(CC)CC 7a_100000688536_100000210303 [0,2,0,0,0,0|1,0,1]=4 1065 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [0,2,0,0,0,0|1,0,1]=4 1066 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [0,2,0,0,0,0|1,0,1]=4 1067 B8R0.11 CCCSC(CC)CC 62a_100000210303_100000210505 [0,2,0,0,0,0|1,0,1]=4 1068 B8R0.11 CCCSC(CC)CC 62a_100000210505_100000210303 [0,2,0,0,0,0|1,0,1]=4 1069 B8R0.11 CCNCC(CC)CC 2230a_100015525214_100011215472 [0,2,0,0,0,0|1,0,1]=4 1070 B8R0.11 CCNCC(CC)CC 2230a_100102946423_100000210202 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.11 CCNCC(CC)CC 269862a_100015525214_100000211137 [0,2,0,0,0,0|1,0,1]=4 1072 B8R0.11 CCNCC(CC)CC 270004a_100015525214_100000211137 [0,2,0,0,0,0|1,0,1]=4 1073 B8R0.11 CCOCC(CC)CC 34a_100121572206_100011215472 [0,2,0,0,0,0|0,0,2]=4 1074 B8R0.11 CCOCC(CC)CC 7a_100000703878_100000210202 [0,2,0,0,0,0|0,0,2]=4 1075 B8R0.11 CCOCC(CC)OC 34a_100011934954_100000210202 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.11 CCOCC(CC)OC 7a_100011934954_100000210202 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.11 CCSCC(CC)CC 62a_100000210202_100011215472 [0,2,0,0,0,0|0,1,1]=4 1078 B8R0.11 CCSCC(CC)CC 62a_100011215472_100000210202 [0,2,0,0,0,0|0,1,1]=4 1079 B8R0.11 CC[C@@H](CO)NCC=O 2230a_100000709445_200015260668 [0,2,0,0,0,0|1,0,0]=3 1080 B8R0.11 CC[C@@H](CO)NCCF 2230a_100000709445_100011217306 [0,2,0,0,0,0|0,0,2]=4 1081 B8R0.11 CC[C@@H](CO)NCCO 2230a_100000709445_100000211926 [0,2,0,0,0,0|0,0,2]=4 1082 B8R0.11 CC[C@@H](CO)NCOC 2230a_100000709445_100000766300 [0,2,0,0,0,0|0,0,2]=4 1083 B8R0.11 CC[C@@H](CO)NCSC 2230a_100000709445_100011218213 [0,2,0,0,0,0|0,0,2]=4 1084 B8R0.11 COCSC(C=O)C=O 62a_100000736813_100000766300 [0,2,0,0,0,0|1,0,1]=4 1085 B8R0.11 COCSC(C=O)C=O 62a_100000766300_100000736813 [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.11 CSCSC(C=O)C=O 62a_100000736813_100011218213 [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.11 CSCSC(C=O)C=O 62a_100011218213_100000736813 [0,2,0,0,0,0|1,0,1]=4 1088 B8R0.11 NCC(CN)OCC=O 34a_100000031598_200009817547 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.11 NCCOC(C=O)C=O 34a_100000210304_100000736813 [0,2,0,0,0,0|1,0,1]=4 1090 B8R0.11 O=CC(C=O)NCCF 34a_100000724931_100000736813 [0,2,0,0,0,0|1,0,1]=4 1091 B8R0.11 O=CC(C=O)NCCO 2230a_100016997473_100000736813 [0,2,0,0,0,0|1,0,1]=4 1092 B8R0.11 O=CC(C=O)NCCO 34a_100016990907_100000736813 [0,2,0,0,0,0|1,0,1]=4 1093 B8R0.11 O=CC(C=O)OCCBr 34a_100000211926_100000736813 [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.11 O=CC(C=O)SCCF 62a_100000736813_100011217306 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.11 O=CC(C=O)SCCF 62a_100011217306_100000736813 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.11 O=CC(C=O)SCCO 62a_100000211926_100000736813 [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.11 O=CC(C=O)SCCO 62a_100000736813_100000211926 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.11 O=CCNC(CO)CO 2230a_100000759517_200015260668 [0,2,0,0,0,0|2,0,0]=4 1099 B8R0.11 O=CCOC(CCl)CCl 7a_100000737055_200015260668 [0,2,0,0,0,0|2,0,0]=4 1100 B8R0.11 O=CCOC(CF)CF 34a_100000032261_200009817547 [0,2,0,0,0,0|2,0,0]=4 1101 B8R0.11 O=CCOC(CF)CF 7a_100000032261_200015260668 [0,2,0,0,0,0|2,0,0]=4 1102 B8R0.11 O=CCO[C@@H](CF)CCl 34a_100015614560_200009817547 [0,2,0,0,0,0|2,0,0]=4 1103 B8R0.11 O=CCO[C@@H](CF)CCl 7a_100015614560_200015260668 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.15 C#CC(OCC)C(C)C 34a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.15 C#CC(OCC)C(C)C 7a_100011217124_100000210202 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,2,0,0,0,0|1,0,1]=4 1107 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,2,0,0,0,0|1,0,1]=4 1109 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,2,0,0,0,0|1,0,1]=4 1110 B8R0.15 C=CC(OCC)C(C)C 34a_100000732651_100000210202 [0,2,0,0,0,0|1,0,0]=3 1111 B8R0.15 C=CC(OCC)C(C)C 7a_100000732651_100000210202 [0,2,0,0,0,0|1,0,0]=3 1112 B8R0.15 C=CC(OCF)C(C)C 34a_100000732651_100015361967 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.15 C=CC(OCF)C(C)C 7a_100000732651_100015361967 [0,2,0,0,0,0|2,0,0]=4 1114 B8R0.15 C=CCC(OC)C(C)C 34a_200011216146_200000210301 [0,2,0,0,0,0|2,0,0]=4 1115 B8R0.15 C=CCC(OC)C(C)C 7a_200011216146_200000210301 [0,2,0,0,0,0|2,0,0]=4 1116 B8R0.15 C=CCC(O[13CH3])C(C)C 34a_200011216146_200025704644 [0,2,0,0,0,0|2,0,0]=4 1117 B8R0.15 C=CCC(O[13CH3])C(C)C 7a_200011216146_200025704644 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.15 C=CCN(CC)C(C)C 2230a_100000223864_100000210623 [0,2,0,0,0,0|2,0,0]=4 1119 B8R0.15 C=CCN(CC)C(C)C 2230a_100000742772_100000210202 [0,2,0,0,0,0|2,0,0]=4 1120 B8R0.15 C=CCN(CC)C(C)C 269982a_100000223864_100000210623 [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.15 C=CCN(CC)C(C)C 269982a_100000742772_100000204670 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|0,0,2]=4 1123 B8R0.15 CC(C)C(CCO)N[13CH3] 2230a_100161115045_200025704644 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.15 CC(C)C(CCO)N[13CH3] 34a_100161115045_200025704644 [0,2,0,0,0,0|2,0,0]=4 1125 B8R0.15 CC(C)C(CN)CO[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|1,0,1]=4 1126 B8R0.15 CC(C)C(CO)CN[13CH3] 34a_100000692819_200025704644 [0,2,0,0,0,0|0,0,2]=4 1127 B8R0.15 CCC(CNC)C(C)C 269862a_106832991636_100011214906 [0,2,0,0,0,0|1,0,1]=4 1128 B8R0.15 CCC(COC)C(C)C 34a_100011995916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1129 B8R0.15 CCC(COC)C(C)C 7a_100011995916_200000210301 [0,2,0,0,0,0|0,0,2]=4 1130 B8R0.15 CCC(COC)N(C)C 270004a_100102631434_100000757811 [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.15 CCC(CO[13CH3])C(C)C 34a_100011995916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1132 B8R0.15 CCC(CO[13CH3])C(C)C 7a_100011995916_200025704644 [0,2,0,0,0,0|0,0,2]=4 1133 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,2,0,0,0,0|1,0,0]=3 1134 B8R0.15 CCC(OCF)C(C)C 34a_100011218073_100015361967 [0,2,0,0,0,0|1,0,1]=4 1135 B8R0.15 CCC(OCF)C(C)C 7a_100011218073_100015361967 [0,2,0,0,0,0|1,0,1]=4 1136 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,2,0,0,0,0|1,0,0]=3 1137 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,2,0,0,0,0|1,0,0]=3 1138 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|0,0,0]=2 1139 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|0,0,0]=2 1140 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|0,0,0]=2 1141 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 1144 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 1145 B8R0.15 CCCC(OC)C(C)C 34a_200011215069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1146 B8R0.15 CCCC(OC)C(C)C 7a_200011215069_200000210301 [0,2,0,0,0,0|2,0,0]=4 1147 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 1148 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 1149 B8R0.15 CCCC(O[13CH3])C(C)C 34a_200011215069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1150 B8R0.15 CCCC(O[13CH3])C(C)C 7a_200011215069_200025704644 [0,2,0,0,0,0|2,0,0]=4 1151 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 1152 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 1153 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|1,0,0]=3 1154 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|1,0,0]=3 1155 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1156 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1157 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|1,0,0]=3 1158 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1159 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1160 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|1,0,0]=3 1161 B8R0.15 CCN(CC=O)C(C)C 2230a_100000223864_200015260668 [0,2,0,0,0,0|1,0,0]=3 1162 B8R0.15 CCN(CC=O)C(C)C 269982a_100000223864_200015260668 [0,2,0,0,0,0|1,0,0]=3 1163 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,2,0,0,0,0|1,0,0]=3 1164 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,2,0,0,0,0|1,0,0]=3 1165 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|0,0,0]=2 1167 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|0,0,0]=2 1168 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|0,0,0]=2 1169 B8R0.15 CCNC(CC)C(C)C 270004a_100015525214_100000210600 [0,2,0,0,0,0|1,0,1]=4 1170 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|1,0,0]=3 1171 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,2,0,0,0,0|0,0,2]=4 1172 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,2,0,0,0,0|0,0,2]=4 1173 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 1174 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 1175 B8R0.15 CCN[C@@H](CO)C(C)C 2230a_100011830312_100000210202 [0,2,0,0,0,0|0,0,2]=4 1176 B8R0.15 CCN[C@@H](CO)C(C)C 34a_100011830312_100000210202 [0,2,0,0,0,0|0,0,2]=4 1177 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|0,0,0]=2 1178 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,2,0,0,0,0|0,0,2]=4 1179 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,2,0,0,0,0|0,0,2]=4 1180 B8R0.15 CCOC(C#N)C(C)C 34a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 1181 B8R0.15 CCOC(C#N)C(C)C 7a_100000748901_100000210202 [0,2,0,0,0,0|1,0,1]=4 1182 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|0,0,0]=2 1183 B8R0.15 CCOC(CC)C(C)C 34a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 1184 B8R0.15 CCOC(CC)C(C)C 7a_100011218073_100000210202 [0,2,0,0,0,0|1,0,1]=4 1185 B8R0.15 CCOC(CN)C(C)C 34a_100000759067_100000210202 [0,2,0,0,0,0|1,0,1]=4 1186 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|0,0,0]=2 1187 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|0,0,0]=2 1188 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|1,0,0]=3 1189 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,2,0,0,0,0|1,0,1]=4 1190 B8R0.15 CNC(CCO)C(C)C 2230a_100161115045_200000210301 [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.15 CNC(CCO)C(C)C 34a_100161115045_200000210301 [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.15 CNC(COC)C(C)C 2230a_100000760233_200000210301 [0,2,0,0,0,0|2,0,0]=4 1193 B8R0.15 CNCC(CO)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|0,0,2]=4 1194 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|1,0,0]=3 1195 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|1,0,0]=3 1196 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|1,0,0]=3 1197 B8R0.15 COCC(CN)C(C)C 34a_100000692819_200000210301 [0,2,0,0,0,0|1,0,1]=4 1198 B8R0.15 COCC(N[13CH3])C(C)C 2230a_100000760233_200025704644 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|1,0,0]=3 1200 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|1,0,0]=3 1201 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|1,0,0]=3 1202 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 1203 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|2,0,0]=4 1204 B8R0.16 C#CC(CC)OC(C)C 34a_100000758843_100000210206 [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.16 C#CC(CC)OC(C)C 7a_100000758843_100000210206 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.16 C=C(C)CN(CC)CC 2230a_100000211296_100000210202 [0,2,0,0,0,0|2,0,0]=4 1207 B8R0.16 C=C(C)CN(CC)CC 2230a_100000724800_100000748629 [0,2,0,0,0,0|2,0,0]=4 1208 B8R0.16 C=C(C)CN(CC)CC 269956a_100000042499_100000748629 [0,2,0,0,0,0|2,0,0]=4 1209 B8R0.16 C=C(C)CN(CC)CC 269982a_100000211296_100000204670 [0,2,0,0,0,0|2,0,0]=4 1210 B8R0.16 C=C(C)CN(CC)CC 269982a_100000724800_100000748629 [0,2,0,0,0,0|2,0,0]=4 1211 B8R0.16 C=C(F)CN(CC)CC 2230a_100000724800_100009893438 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.16 C=C(F)CN(CC)CC 269956a_100000042499_100000042424 [0,2,0,0,0,0|2,0,0]=4 1213 B8R0.16 C=C(F)CN(CC)CC 269982a_100000724800_100009893438 [0,2,0,0,0,0|2,0,0]=4 1214 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [0,2,0,0,0,0|2,0,0]=4 1215 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [0,2,0,0,0,0|2,0,0]=4 1218 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [0,2,0,0,0,0|1,0,0]=3 1219 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [0,2,0,0,0,0|1,0,0]=3 1220 B8R0.16 C=C[C@@H](CO)NC(C)C 2230a_100016989147_100000210206 [0,2,0,0,0,0|2,0,0]=4 1221 B8R0.16 C=C[C@@H](CO)NC(C)C 34a_100016989147_100000210206 [0,2,0,0,0,0|2,0,0]=4 1222 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,2,0,0,0,0|2,0,0]=4 1223 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,2,0,0,0,0|2,0,0]=4 1224 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 1225 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [0,2,0,0,0,0|1,0,1]=4 1226 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [0,2,0,0,0,0|1,0,1]=4 1227 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [0,2,0,0,0,0|1,0,1]=4 1228 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [0,2,0,0,0,0|1,0,1]=4 1229 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,2,0,0,0,0|0,0,0]=2 1230 B8R0.16 CCC(CC)CN(C)C 2230a_100102631434_100011215472 [0,2,0,0,0,0|1,0,1]=4 1231 B8R0.16 CCC(CC)CN(C)C 269982a_100102631434_100011215472 [0,2,0,0,0,0|1,0,1]=4 1232 B8R0.16 CCC(CC)CN(C)C 270004a_100102631434_100000211137 [0,2,0,0,0,0|1,0,1]=4 1233 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,2,0,0,0,0|0,0,0]=2 1234 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,2,0,0,0,0|0,0,0]=2 1235 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,2,0,0,0,0|0,0,0]=2 1236 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,2,0,0,0,0|0,0,0]=2 1237 B8R0.16 CCC(CC)NC(C)C 2230a_100000199018_100000210206 [0,2,0,0,0,0|1,0,1]=4 1238 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [0,2,0,0,0,0|1,0,1]=4 1239 B8R0.16 CCC(CC)SC(C)C 62a_100000210206_100000210505 [0,2,0,0,0,0|1,0,1]=4 1240 B8R0.16 CCC(CC)SC(C)C 62a_100000210505_100000210206 [0,2,0,0,0,0|1,0,1]=4 1241 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,2,0,0,0,0|1,0,0]=3 1242 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,2,0,0,0,0|1,0,0]=3 1243 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,2,0,0,0,0|1,0,0]=3 1244 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,2,0,0,0,0|1,0,0]=3 1245 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,2,0,0,0,0|1,0,0]=3 1246 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,2,0,0,0,0|1,0,0]=3 1247 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,2,0,0,0,0|1,0,0]=3 1248 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,2,0,0,0,0|1,0,0]=3 1249 B8R0.16 CCN(CC)C[N+](=O)[O-] 269956a_100000042499_100000761209 [0,2,0,0,0,0|1,0,1]=4 1250 B8R0.16 CCN(CC)C[N+](=O)[O-] 269982a_100000724800_100000761209 [0,2,0,0,0,0|1,0,1]=4 1251 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,2,0,0,0,0|2,0,0]=4 1253 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,2,0,0,0,0|1,0,0]=3 1254 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,2,0,0,0,0|1,0,0]=3 1255 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [0,2,0,0,0,0|0,0,2]=4 1256 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,2,0,0,0,0|1,0,0]=3 1257 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,2,0,0,0,0|1,0,0]=3 1258 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,2,0,0,0,0|2,0,0]=4 1259 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,2,0,0,0,0|2,0,0]=4 1260 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,2,0,0,0,0|2,0,0]=4 1261 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,2,0,0,0,0|2,0,0]=4 1263 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|0,0,0]=2 1264 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|0,0,0]=2 1265 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,2,0,0,0,0|1,0,0]=3 1266 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,2,0,0,0,0|1,0,0]=3 1267 B8R0.20 C=CC(C)N(CC)CC 269956a_100000042499_100011215867 [0,2,0,0,0,0|2,0,0]=4 1268 B8R0.20 C=CC(C)N(CC)CC 269982a_100000724800_100011215867 [0,2,0,0,0,0|2,0,0]=4 1269 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|0,0,0]=2 1270 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|0,0,0]=2 1271 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,0]=3 1272 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 1273 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 1274 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 1275 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 1276 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 1278 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 1279 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 1280 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|1,0,0]=3 1281 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|0,0,0]=2 1282 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|0,0,0]=2 1283 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|0,0,0]=2 1284 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|0,0,0]=2 1285 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|0,0,0]=2 1286 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|0,0,0]=2 1287 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,2,0,0,0,0|1,0,1]=4 1288 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,2,0,0,0,0|1,0,1]=4 1289 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1290 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [0,2,0,0,0,0|1,0,1]=4 1291 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [0,2,0,0,0,0|1,0,1]=4 1292 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [0,2,0,0,0,0|1,0,1]=4 1293 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [0,2,0,0,0,0|1,0,1]=4 1294 B8R0.20 CCC(CC)N(C)CF 269982a_100000737045_100015361967 [0,2,0,0,0,0|1,0,1]=4 1295 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1296 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [0,2,0,0,0,0|1,0,1]=4 1297 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|1,0,0]=3 1298 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|1,0,0]=3 1299 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|1,0,0]=3 1300 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|1,0,0]=3 1301 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|1,0,0]=3 1302 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 1303 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 1304 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 1305 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|1,0,0]=3 1306 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|1,0,0]=3 1307 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|1,0,0]=3 1308 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|1,0,0]=3 1309 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|1,0,0]=3 1310 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|1,0,0]=3 1311 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|1,0,0]=3 1312 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|1,0,0]=3 1313 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|1,0,0]=3 1314 B8R0.20 CCN(C)C(C=O)C=O 2230a_100000225621_100000736813 [0,2,0,0,0,0|1,0,1]=4 1315 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|1,0,0]=3 1316 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|1,0,0]=3 1317 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|1,0,0]=3 1318 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|1,0,0]=3 1319 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 1320 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 1321 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 1322 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 1323 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 1327 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 1330 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 1331 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 1332 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 1333 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 1334 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|2,0,0]=4 1335 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|2,0,0]=4 1336 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|2,0,0]=4 1337 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|2,0,0]=4 1338 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|2,0,0]=4 1339 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|2,0,0]=4 1340 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|2,0,0]=4 1341 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|2,0,0]=4 1342 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|2,0,0]=4 1343 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|2,0,0]=4 1344 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|2,0,0]=4 1345 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|2,0,0]=4 1346 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|2,0,0]=4 1347 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|2,0,0]=4 1348 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,2,0,0,0,0|2,0,0]=4 1349 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 1350 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [0,2,0,0,0,0|1,0,1]=4 1351 B8R0.22 C#CCC(CC)OCC 34a_200011217983_100000210202 [0,2,0,0,0,0|1,0,1]=4 1352 B8R0.22 C#CCC(CC)OCC 7a_200011217983_100000210202 [0,2,0,0,0,0|1,0,1]=4 1353 B8R0.22 C#CCN(CC)CC=O 2230a_100000744766_200015260668 [0,2,0,0,0,0|1,0,1]=4 1354 B8R0.22 C#CCN(CC)CC=O 269982a_100000744766_200015260668 [0,2,0,0,0,0|1,0,1]=4 1355 B8R0.22 C/C=C/C(CCC)OC 34a_200016264281_200000210301 [0,2,0,0,0,0|2,0,0]=4 1356 B8R0.22 C/C=C/C(CCC)OC 7a_200016264281_200000210301 [0,2,0,0,0,0|2,0,0]=4 1357 B8R0.22 C/C=C/C(CCC)O[13CH3] 34a_200016264281_200025704644 [0,2,0,0,0,0|2,0,0]=4 1358 B8R0.22 C/C=C/C(CCC)O[13CH3] 7a_200016264281_200025704644 [0,2,0,0,0,0|2,0,0]=4 1359 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 1360 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [0,2,0,0,0,0|1,0,0]=3 1361 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [0,2,0,0,0,0|2,0,0]=4 1362 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [0,2,0,0,0,0|2,0,0]=4 1363 B8R0.22 C=CCC(C=C)OCC 34a_100000038011_100000210202 [0,2,0,0,0,0|1,0,1]=4 1364 B8R0.22 C=CCC(C=C)OCC 7a_100000038011_100000210202 [0,2,0,0,0,0|1,0,1]=4 1365 B8R0.22 C=CCC(CCC)OC 34a_100011215139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1366 B8R0.22 C=CCC(CCC)OC 7a_100011215139_200000210301 [0,2,0,0,0,0|2,0,0]=4 1367 B8R0.22 C=CCC(CCC)O[13CH3] 34a_100011215139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1368 B8R0.22 C=CCC(CCC)O[13CH3] 7a_100011215139_200025704644 [0,2,0,0,0,0|2,0,0]=4 1369 B8R0.22 C=CCN(CC)CCC 2230a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 1370 B8R0.22 C=CCN(CC)CCC 269982a_100000226822_100000210623 [0,2,0,0,0,0|2,0,0]=4 1371 B8R0.22 C=CCN(CC)CCO 2230a_100000210973_100000210623 [0,2,0,0,0,0|2,0,0]=4 1372 B8R0.22 C=CCN(CC)CCO 269982a_100000210973_100000210623 [0,2,0,0,0,0|2,0,0]=4 1373 B8R0.22 C=CC[C@H](CO)NCC 2230a_100020615467_100000210202 [0,2,0,0,0,0|2,0,0]=4 1374 B8R0.22 CC#CC(CC)OCC 34a_200011219922_100000210202 [0,2,0,0,0,0|1,0,1]=4 1375 B8R0.22 CC#CC(CC)OCC 7a_200011219922_100000210202 [0,2,0,0,0,0|1,0,1]=4 1376 B8R0.22 CCC(COC)OCF 7a_200011214946_100015361967 [0,2,0,0,0,0|1,0,1]=4 1377 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 1378 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [0,2,0,0,0,0|1,0,1]=4 1379 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [0,2,0,0,0,0|1,0,1]=4 1380 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [0,2,0,0,0,0|1,0,1]=4 1381 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 1382 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [0,2,0,0,0,0|1,0,1]=4 1383 B8R0.22 CCCC(CC)OCF 34a_100000687864_100015361967 [0,2,0,0,0,0|1,0,1]=4 1384 B8R0.22 CCCC(CC)OCF 7a_100000687864_100015361967 [0,2,0,0,0,0|1,0,1]=4 1385 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [0,2,0,0,0,0|1,0,1]=4 1386 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [0,2,0,0,0,0|1,0,1]=4 1387 B8R0.22 CCCC(CC)SCF 62a_100011219200_100015361967 [0,2,0,0,0,0|1,0,1]=4 1388 B8R0.22 CCCC(CC)SCF 62a_100015361967_100011219200 [0,2,0,0,0,0|1,0,1]=4 1389 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [0,2,0,0,0,0|2,0,0]=4 1390 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [0,2,0,0,0,0|2,0,0]=4 1391 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [0,2,0,0,0,0|2,0,0]=4 1392 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [0,2,0,0,0,0|2,0,0]=4 1393 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [0,2,0,0,0,0|2,0,0]=4 1394 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [0,2,0,0,0,0|2,0,0]=4 1395 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [0,2,0,0,0,0|2,0,0]=4 1396 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [0,2,0,0,0,0|2,0,0]=4 1397 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [0,2,0,0,0,0|2,0,0]=4 1398 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [0,2,0,0,0,0|2,0,0]=4 1399 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [0,2,0,0,0,0|2,0,0]=4 1400 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [0,2,0,0,0,0|2,0,0]=4 1401 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [0,2,0,0,0,0|2,0,0]=4 1402 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [0,2,0,0,0,0|2,0,0]=4 1403 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [0,2,0,0,0,0|2,0,0]=4 1404 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [0,2,0,0,0,0|2,0,0]=4 1405 B8R0.22 CCCN(CC)CC=O 2230a_100000226822_200015260668 [0,2,0,0,0,0|1,0,0]=3 1406 B8R0.22 CCCN(CC)CC=O 269982a_100000226822_200015260668 [0,2,0,0,0,0|1,0,0]=3 1407 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [0,2,0,0,0,0|2,0,0]=4 1408 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [0,2,0,0,0,0|2,0,0]=4 1409 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [0,2,0,0,0,0|2,0,0]=4 1410 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [0,2,0,0,0,0|2,0,0]=4 1411 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [0,2,0,0,0,0|0,0,2]=4 1412 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [0,2,0,0,0,0|0,0,2]=4 1413 B8R0.22 CCN(CC=O)CCO 2230a_100000210973_200015260668 [0,2,0,0,0,0|1,0,0]=3 1414 B8R0.22 CCN(CC=O)CCO 269982a_100000210973_200015260668 [0,2,0,0,0,0|1,0,0]=3 1415 B8R0.22 CCNC(CC)COC 2230a_100000757820_100000210202 [0,2,0,0,0,0|0,0,2]=4 1416 B8R0.22 CCNC(CC)COC 270004a_100015525214_100000757811 [0,2,0,0,0,0|0,0,2]=4 1417 B8R0.22 CCNC(CO)COC 2230a_100000724102_100000210202 [0,2,0,0,0,0|0,0,2]=4 1418 B8R0.22 CCNC(CO)COC 34a_100000724102_100000210202 [0,2,0,0,0,0|0,0,2]=4 1419 B8R0.22 CCN[C@H](CC)CC#N 2230a_200009818565_100000210202 [0,2,0,0,0,0|1,0,1]=4 1420 B8R0.22 CCOC(CC)CNC 2230a_100015183923_200000210301 [0,2,0,0,0,0|1,0,1]=4 1421 B8R0.22 CCOC(CC)CNC 34a_100015183923_200000210301 [0,2,0,0,0,0|1,0,1]=4 1422 B8R0.22 CCOC(CC)CN[13CH3] 2230a_100015183923_200025704644 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.22 CCOC(CC)CN[13CH3] 34a_100015183923_200025704644 [0,2,0,0,0,0|1,0,1]=4 1424 B8R0.22 CCOC(CC)COC 7a_200011214946_100000210202 [0,2,0,0,0,0|0,0,2]=4 1425 B8R0.22 CCOC(CCl)COC 34a_100011215053_100000210202 [0,2,0,0,0,0|1,0,1]=4 1426 B8R0.22 CCOC(CN)COC 34a_100000756049_100000210202 [0,2,0,0,0,0|1,0,1]=4 1427 B8R0.22 CNC(COC)COC 2230a_100011997029_200000210301 [0,2,0,0,0,0|2,0,0]=4 1428 B8R0.22 CNC(COC)COC 270004a_106832991635_100000761750 [0,2,0,0,0,0|2,0,0]=4 1429 B8R0.22 COC(CSC)CSC 7a_200000036665_200000210301 [0,2,0,0,0,0|2,0,0]=4 1430 B8R0.22 COCC(COC)N[13CH3] 2230a_100011997029_200025704644 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.22 COCC(COC)OC 34a_100000766098_200000210301 [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.22 COCC(COC)O[13CH3] 34a_100000766098_200025704644 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.22 CSCC(CSC)O[13CH3] 7a_200000036665_200025704644 [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.31 C#CC(C)(CC)NCC 2230a_100000054623_100000210202 [0,2,0,0,0,0|1,0,1]=4 1435 B8R0.31 C#CC(C)(CC)OCC 34a_100000686493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.31 C#CC(C)(CC)OCC 7a_100000686493_100000210202 [0,2,0,0,0,0|1,0,1]=4 1437 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [0,2,0,0,0,0|2,0,0]=4 1439 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [0,2,0,0,0,0|1,0,1]=4 1440 B8R0.31 CCC(C)(CC)SCF 62a_100009817345_100015361967 [0,2,0,0,0,0|1,0,1]=4 1441 B8R0.31 CCC(C)(CC)SCF 62a_100015361967_100009817345 [0,2,0,0,0,0|1,0,1]=4 1442 B8R0.31 CCCC(C)(CC)NC 7a_106832991635_200000040151 [0,2,0,0,0,0|2,0,0]=4 1443 B8R0.31 CCCC(C)(CC)OC 7a_200011215934_200000210301 [0,2,0,0,0,0|2,0,0]=4 1444 B8R0.31 CCCC(C)(CC)O[13CH3] 7a_200011215934_200025704644 [0,2,0,0,0,0|2,0,0]=4 1445 B8R0.31 CCCC(C)(CC)SC 62a_200000040151_200000210301 [0,2,0,0,0,0|2,0,0]=4 1446 B8R0.31 CCCC(C)(CC)SC 62a_200000210301_200000040151 [0,2,0,0,0,0|2,0,0]=4 1447 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200000040151_200025704644 [0,2,0,0,0,0|2,0,0]=4 1448 B8R0.31 CCCC(C)(CC)S[13CH3] 62a_200025704644_200000040151 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.31 CCOC(C)(C#N)CC 7a_100000760259_100000210202 [0,2,0,0,0,0|1,0,1]=4 1450 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [0,2,0,0,0,0|1,0,1]=4 1451 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [0,2,0,0,0,0|1,0,1]=4 1452 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [0,2,0,0,0,0|1,0,1]=4 1453 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|1,0,1]=4 1454 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|1,0,1]=4 1455 B8R0.18 CC(C)C(N[13CH3])C(C)C 2230a_100000690608_200025704644 [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.18 CC(C)C(N[13CH3])C(C)C 34a_100000690608_200025704644 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.18 CC(C)C(O[13CH3])C(C)C 34a_100011216681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.18 CC(C)C(O[13CH3])C(C)C 7a_100011216681_200025704644 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|1,0,0]=3 1460 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|1,0,0]=3 1461 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|1,0,0]=3 1462 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|1,0,0]=3 1463 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|0,0,1]=3 1464 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|1,0,0]=3 1465 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|1,0,0]=3 1466 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|1,0,0]=3 1467 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|1,0,0]=3 1468 B8R0.18 CCC(C(C)C)N(C)C 270004a_100102631434_100000210600 [0,2,0,0,0,0|2,0,0]=4 1469 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|1,0,0]=3 1470 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|1,0,0]=3 1471 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|1,0,0]=3 1472 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|1,0,0]=3 1473 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|1,0,0]=3 1474 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|1,0,0]=3 1475 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|1,0,0]=3 1476 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|1,0,0]=3 1477 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|2,0,0]=4 1478 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|2,0,0]=4 1479 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|1,0,0]=3 1480 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|1,0,0]=3 1481 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|1,0,0]=3 1482 B8R0.18 CNC(C(C)C)C(C)C 2230a_100000690608_200000210301 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.18 CNC(C(C)C)C(C)C 34a_100000690608_200000210301 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|1,0,0]=3 1485 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,2,0,0,0,0|1,0,0]=3 1486 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|1,0,0]=3 1487 B8R0.18 COC(C(C)C)C(C)C 34a_100011216681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1488 B8R0.18 COC(C(C)C)C(C)C 7a_100011216681_200000210301 [0,2,0,0,0,0|2,0,0]=4 1489 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|1,0,1]=4 1490 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|1,0,1]=4 1491 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|1,0,0]=3 1492 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|1,0,0]=3 1493 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,2,0,0,0,0|1,0,0]=3 1494 B8R0.26 CCC(OC)C(C)(C)C 7a_100011215073_200000210301 [0,2,0,0,0,0|2,0,0]=4 1495 B8R0.26 CCC(O[13CH3])C(C)(C)C 7a_100011215073_200025704644 [0,2,0,0,0,0|2,0,0]=4 1496 B8R0.26 CCN(CC)S(=O)(=O)C 40a_100000724800_100000738038 [0,2,0,0,0,0|2,0,0]=4 1497 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,2,0,0,0,0|2,0,0]=4 1498 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,2,0,0,0,0|2,0,0]=4 1499 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,2,0,0,0,0|0,0,0]=2 1500 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,2,0,0,0,0|0,0,0]=2 1501 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,2,0,0,0,0|0,0,0]=2 1502 B8R0.36 CCC(C)(CC)N(C)C 269982a_100102631434_100009817345 [0,2,0,0,0,0|2,0,0]=4 1503 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|1,0,0]=3 1504 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.10 C#CC(CC)(CC)NC 2230a_100102564785_200000210301 [0,2,0,0,0,0|1,0,1]=4 1506 B8R0.10 C#CC(CC)(CC)N[13CH3] 2230a_100102564785_200025704644 [0,2,0,0,0,0|1,0,1]=4 1507 B8R0.10 C#CC(CC)(CC)OC 34a_100011215175_200000210301 [0,2,0,0,0,0|1,0,1]=4 1508 B8R0.10 C#CC(CC)(CC)OC 7a_100011215175_200000210301 [0,2,0,0,0,0|1,0,1]=4 1509 B8R0.10 C#CC(CC)(CC)O[13CH3] 34a_100011215175_200025704644 [0,2,0,0,0,0|1,0,1]=4 1510 B8R0.10 C#CC(CC)(CC)O[13CH3] 7a_100011215175_200025704644 [0,2,0,0,0,0|1,0,1]=4 1511 B8R0.10 CCC(C#N)(CC)NC 2230a_100000746712_200000210301 [0,2,0,0,0,0|1,0,1]=4 1512 B8R0.10 CCC(C#N)(CC)N[13CH3] 2230a_100000746712_200025704644 [0,2,0,0,0,0|1,0,1]=4 1513 B8R0.10 CCC(CC)(CC)NC 2230a_100000760206_200000210301 [0,2,0,0,0,0|1,0,1]=4 1514 B8R0.10 CCC(CC)(CC)NC 7a_106832991635_200010884430 [0,2,0,0,0,0|1,0,1]=4 1515 B8R0.10 CCC(CC)(CC)N[13CH3] 2230a_100000760206_200025704644 [0,2,0,0,0,0|1,0,1]=4 1516 B8R0.10 CCC(CC)(CC)OC 7a_100000760225_200000210301 [0,2,0,0,0,0|1,0,1]=4 1517 B8R0.10 CCC(CC)(CC)O[13CH3] 7a_100000760225_200025704644 [0,2,0,0,0,0|1,0,1]=4 1518 B8R0.10 CCC(CC)(CC)SC 62a_200000210301_200010884430 [0,2,0,0,0,0|1,0,1]=4 1519 B8R0.10 CCC(CC)(CC)SC 62a_200010884430_200000210301 [0,2,0,0,0,0|1,0,1]=4 1520 B8R0.10 CCC(CC)(CC)S[13CH3] 62a_200010884430_200025704644 [0,2,0,0,0,0|1,0,1]=4 1521 B8R0.10 CCC(CC)(CC)S[13CH3] 62a_200025704644_200010884430 [0,2,0,0,0,0|1,0,1]=4 1522 B6R1.2 CN1CCCC1 2230a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 1523 B6R1.2 CN1CCCC1 269982a_100000188435_200000210301 [1,0,0,1,0,0|1,0,1]=4 1524 B6R1.2 [13CH3]N1CCCC1 2230a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 1525 B6R1.2 [13CH3]N1CCCC1 269982a_100000188435_200025704644 [1,0,0,1,0,0|1,0,1]=4 1526 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 1527 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|1,0,1]=4 1528 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 1529 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|1,0,1]=4 1530 B6R1.6 CCN1CCC1 269982a_100000754969_100000204670 [1,0,0,1,0,0|1,0,1]=4 1531 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 1532 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|1,0,1]=4 1533 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|1,0,1]=4 1534 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|1,0,1]=4 1535 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|1,0,1]=4 1536 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|1,0,1]=4 1537 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|1,0,1]=4 1538 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 1539 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|1,0,1]=4 1540 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|1,0,1]=4 1541 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|1,0,1]=4 1542 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|1,0,1]=4 1543 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|1,0,1]=4 1544 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|1,0,1]=4 1545 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|1,0,1]=4 1546 B8R1.1 CC1CCC(C1)O[13CH3] 34a_100000698185_200025704644 [0,1,0,1,0,0|2,0,0]=4 1547 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,1,0,1,0,0|2,0,0]=4 1548 B8R1.1 CN1CCC(C1)C#N 2230a_100016989334_200000210301 [0,1,0,1,0,0|1,0,1]=4 1549 B8R1.1 CN1CCC(C1)CO 2230a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 1550 B8R1.1 CN1CCC(C1)CO 269982a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 1551 B8R1.1 CN1CCC(C1)CO 34a_100000748654_200000210301 [0,1,0,1,0,0|0,0,2]=4 1552 B8R1.1 CN1CCC(C1)S[13CH3] 62a_200025704644_200012183744 [0,1,0,1,0,0|2,0,0]=4 1553 B8R1.1 CNC1CCC(C1)C 270004a_106832991635_100011215218 [0,1,0,1,0,0|2,0,0]=4 1554 B8R1.1 CNC1CCC(C1)O 270004a_106832991635_100012614533 [0,1,0,1,0,0|2,0,0]=4 1555 B8R1.1 CNC1CCN(C1)C 7a_106832991635_200012183744 [0,1,0,1,0,0|2,0,0]=4 1556 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,1,0,1,0,0|2,0,0]=4 1557 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,1,0,1,0,0|2,0,0]=4 1558 B8R1.1 CN[C@H]1CC[C@H](C1)O 2230a_100015195300_200000210301 [0,1,0,1,0,0|2,0,0]=4 1559 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,1,0,1,0,0|1,0,0]=3 1560 B8R1.1 COC1CCC(C1)C 34a_100000698185_200000210301 [0,1,0,1,0,0|2,0,0]=4 1561 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,1,0,1,0,0|2,0,0]=4 1562 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,1,0,1,0,0|2,0,0]=4 1563 B8R1.1 CO[C@@H]1CCN(C1)C 2230a_100000766984_200000210301 [0,1,0,1,0,0|2,0,0]=4 1564 B8R1.1 CO[C@@H]1CCN(C1)C 269982a_100000766984_200000210301 [0,1,0,1,0,0|2,0,0]=4 1565 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 2230a_100000766984_200025704644 [0,1,0,1,0,0|2,0,0]=4 1566 B8R1.1 CO[C@@H]1CCN(C1)[13CH3] 269982a_100000766984_200025704644 [0,1,0,1,0,0|2,0,0]=4 1567 B8R1.1 CSC1CCN(C1)C 62a_200000210301_200012183744 [0,1,0,1,0,0|2,0,0]=4 1568 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,1,0,1,0,0|2,0,0]=4 1569 B8R1.1 [13CH3]N1CCC(C1)C#N 2230a_100016989334_200025704644 [0,1,0,1,0,0|1,0,1]=4 1570 B8R1.1 [13CH3]N1CCC(C1)CO 2230a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 1571 B8R1.1 [13CH3]N1CCC(C1)CO 269982a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 1572 B8R1.1 [13CH3]N1CCC(C1)CO 34a_100000748654_200025704644 [0,1,0,1,0,0|0,0,2]=4 1573 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,1,0,1,0,0|2,0,0]=4 1574 B8R1.1 [13CH3]N[C@H]1CC[C@H](C1)O 2230a_100015195300_200025704644 [0,1,0,1,0,0|2,0,0]=4 1575 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,1,0,1,0,0|1,0,0]=3 1576 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,1,0,1,0,0|2,0,0]=4 1577 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,1,0,1,0,0|2,0,0]=4 1578 B8R1.2 CCN1CC=CCC1 2230a_100000698166_100000210202 [0,1,0,1,0,0|2,0,0]=4 1579 B8R1.2 CCN1CC=CCC1 269982a_100000698166_100000204670 [0,1,0,1,0,0|2,0,0]=4 1580 B8R1.2 CCN1CC=CCC1 34a_100000698166_100000210202 [0,1,0,1,0,0|2,0,0]=4 1581 B8R1.2 CNC1C=CCCC1 2230a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 1582 B8R1.2 CNC1C=CCCC1 7a_106832991635_100000751183 [0,1,0,1,0,0|2,0,0]=4 1583 B8R1.2 CNC1CCCCC1 2230a_100000182618_200000210301 [0,1,0,1,0,0|2,0,0]=4 1584 B8R1.2 CNC1CCCCC1 270004a_106832991635_100000210434 [0,1,0,1,0,0|2,0,0]=4 1585 B8R1.2 CNC1CCCCC1 34a_100000182618_200000210301 [0,1,0,1,0,0|2,0,0]=4 1586 B8R1.2 CNC1CCCCC1 34a_100102657272_100000210327 [0,1,0,1,0,0|2,0,0]=4 1587 B8R1.2 CNC1CCCCC1 7a_106832991635_100000210327 [0,1,0,1,0,0|2,0,0]=4 1588 B8R1.2 CNC1CCCOC1 2230a_100000719290_200000210301 [0,1,0,1,0,0|2,0,0]=4 1589 B8R1.2 CNC1CCCOC1 270004a_106832991635_100000753404 [0,1,0,1,0,0|2,0,0]=4 1590 B8R1.2 CNC1CCCOC1 34a_100000719290_200000210301 [0,1,0,1,0,0|2,0,0]=4 1591 B8R1.2 CNC1CCCOC1 34a_100102657272_100000693364 [0,1,0,1,0,0|2,0,0]=4 1592 B8R1.2 CNC1CCCOC1 7a_106832991635_100000693364 [0,1,0,1,0,0|2,0,0]=4 1593 B8R1.2 CNC1CCCSC1 270004a_106832991635_100000057913 [0,1,0,1,0,0|2,0,0]=4 1594 B8R1.2 CNC1CCNCC1 270004a_106832991635_100015192401 [0,1,0,1,0,0|2,0,0]=4 1595 B8R1.2 CNC1CCOCC1 2230a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 1596 B8R1.2 CNC1CCOCC1 270004a_106832991635_100011217826 [0,1,0,1,0,0|2,0,0]=4 1597 B8R1.2 CNC1CCOCC1 34a_100000741149_200000210301 [0,1,0,1,0,0|2,0,0]=4 1598 B8R1.2 CNC1CCOCC1 7a_106832991635_100000686592 [0,1,0,1,0,0|2,0,0]=4 1599 B8R1.2 CNC1CCSCC1 2230a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1600 B8R1.2 CNC1CCSCC1 270004a_106832991635_100000203788 [0,1,0,1,0,0|2,0,0]=4 1601 B8R1.2 CNC1CCSCC1 34a_100000748639_200000210301 [0,1,0,1,0,0|2,0,0]=4 1602 B8R1.2 CNC1CCSCC1 34a_100102657272_100000069128 [0,1,0,1,0,0|2,0,0]=4 1603 B8R1.2 CNC1CCSCC1 7a_106832991635_100011500858 [0,1,0,1,0,0|2,0,0]=4 1604 B8R1.2 COC1C=CCCC1 34a_100011215024_200000210301 [0,1,0,1,0,0|2,0,0]=4 1605 B8R1.2 COC1CC=CCC1 34a_100000073881_200000210301 [0,1,0,1,0,0|2,0,0]=4 1606 B8R1.2 COC1CCCCC1 34a_100000210231_200000210301 [0,1,0,1,0,0|2,0,0]=4 1607 B8R1.2 COC1CCCCC1 34a_100138415774_100000210327 [0,1,0,1,0,0|2,0,0]=4 1608 B8R1.2 COC1CCCCC1 7a_100000210231_200000210301 [0,1,0,1,0,0|2,0,0]=4 1609 B8R1.2 COC1CCCCO1 34a_100000033831_200000210301 [0,1,0,1,0,0|2,0,0]=4 1610 B8R1.2 COC1CCCOC1 34a_100000754041_200000210301 [0,1,0,1,0,0|2,0,0]=4 1611 B8R1.2 COC1CCCOC1 34a_100138415774_100000693364 [0,1,0,1,0,0|2,0,0]=4 1612 B8R1.2 COC1CCCSC1 7a_100015962668_200000210301 [0,1,0,1,0,0|2,0,0]=4 1613 B8R1.2 COC1CCOCC1 34a_100000744328_200000210301 [0,1,0,1,0,0|2,0,0]=4 1614 B8R1.2 COC1CCSCC1 34a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 1615 B8R1.2 COC1CCSCC1 34a_100138415774_100000069128 [0,1,0,1,0,0|2,0,0]=4 1616 B8R1.2 COC1CCSCC1 7a_100000731022_200000210301 [0,1,0,1,0,0|2,0,0]=4 1617 B8R1.2 CSC1C=CCCC1 62a_100000751183_200000210301 [0,1,0,1,0,0|2,0,0]=4 1618 B8R1.2 CSC1C=CCCC1 62a_200000210301_100000751183 [0,1,0,1,0,0|2,0,0]=4 1619 B8R1.2 CSC1CCCCC1 62a_100000210327_200000210301 [0,1,0,1,0,0|2,0,0]=4 1620 B8R1.2 CSC1CCCCC1 62a_200000210301_100000210327 [0,1,0,1,0,0|2,0,0]=4 1621 B8R1.2 CSC1CCCOC1 62a_200000210301_100000693364 [0,1,0,1,0,0|2,0,0]=4 1622 B8R1.2 CSC1CCOCC1 62a_200000210301_100011324220 [0,1,0,1,0,0|2,0,0]=4 1623 B8R1.2 CSC1CCSCC1 62a_200000210301_100000069128 [0,1,0,1,0,0|2,0,0]=4 1624 B8R1.2 [13CH3]NC1CCCCC1 2230a_100000182618_200025704644 [0,1,0,1,0,0|2,0,0]=4 1625 B8R1.2 [13CH3]NC1CCCCC1 34a_100000182618_200025704644 [0,1,0,1,0,0|2,0,0]=4 1626 B8R1.2 [13CH3]NC1CCCOC1 2230a_100000719290_200025704644 [0,1,0,1,0,0|2,0,0]=4 1627 B8R1.2 [13CH3]NC1CCCOC1 34a_100000719290_200025704644 [0,1,0,1,0,0|2,0,0]=4 1628 B8R1.2 [13CH3]NC1CCOCC1 2230a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 1629 B8R1.2 [13CH3]NC1CCOCC1 34a_100000741149_200025704644 [0,1,0,1,0,0|2,0,0]=4 1630 B8R1.2 [13CH3]NC1CCSCC1 2230a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1631 B8R1.2 [13CH3]NC1CCSCC1 34a_100000748639_200025704644 [0,1,0,1,0,0|2,0,0]=4 1632 B8R1.2 [13CH3]OC1C=CCCC1 34a_100011215024_200025704644 [0,1,0,1,0,0|2,0,0]=4 1633 B8R1.2 [13CH3]OC1CC=CCC1 34a_100000073881_200025704644 [0,1,0,1,0,0|2,0,0]=4 1634 B8R1.2 [13CH3]OC1CCCCC1 34a_100000210231_200025704644 [0,1,0,1,0,0|2,0,0]=4 1635 B8R1.2 [13CH3]OC1CCCCC1 7a_100000210231_200025704644 [0,1,0,1,0,0|2,0,0]=4 1636 B8R1.2 [13CH3]OC1CCCCO1 34a_100000033831_200025704644 [0,1,0,1,0,0|2,0,0]=4 1637 B8R1.2 [13CH3]OC1CCCOC1 34a_100000754041_200025704644 [0,1,0,1,0,0|2,0,0]=4 1638 B8R1.2 [13CH3]OC1CCCSC1 7a_100015962668_200025704644 [0,1,0,1,0,0|2,0,0]=4 1639 B8R1.2 [13CH3]OC1CCOCC1 34a_100000744328_200025704644 [0,1,0,1,0,0|2,0,0]=4 1640 B8R1.2 [13CH3]OC1CCSCC1 34a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 1641 B8R1.2 [13CH3]OC1CCSCC1 7a_100000731022_200025704644 [0,1,0,1,0,0|2,0,0]=4 1642 B8R1.2 [13CH3]SC1C=CCCC1 62a_100000751183_200025704644 [0,1,0,1,0,0|2,0,0]=4 1643 B8R1.2 [13CH3]SC1C=CCCC1 62a_200025704644_100000751183 [0,1,0,1,0,0|2,0,0]=4 1644 B8R1.2 [13CH3]SC1CCCCC1 62a_100000210327_200025704644 [0,1,0,1,0,0|2,0,0]=4 1645 B8R1.2 [13CH3]SC1CCCCC1 62a_200025704644_100000210327 [0,1,0,1,0,0|2,0,0]=4 1646 B8R1.2 [13CH3]SC1CCCOC1 62a_200025704644_100000693364 [0,1,0,1,0,0|2,0,0]=4 1647 B8R1.2 [13CH3]SC1CCOCC1 62a_200025704644_100011324220 [0,1,0,1,0,0|2,0,0]=4 1648 B8R1.2 [13CH3]SC1CCSCC1 62a_200025704644_100000069128 [0,1,0,1,0,0|2,0,0]=4 1649 B8R1.8 C=CCN1CCCC1 2230a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 1650 B8R1.8 C=CCN1CCCC1 269982a_100000188435_100000210623 [0,1,0,1,0,0|2,0,0]=4 1651 B8R1.8 CCNC1CCCC1 2230a_100000211070_100000210202 [0,1,0,1,0,0|1,0,1]=4 1652 B8R1.8 CCNC1CCCC1 2230a_100015525214_100000179811 [0,1,0,1,0,0|1,0,1]=4 1653 B8R1.8 CCNC1CCCC1 270004a_100015525214_100000210133 [0,1,0,1,0,0|1,0,1]=4 1654 B8R1.8 CCNC1CCCC1 34a_100000211070_100000210202 [0,1,0,1,0,0|1,0,1]=4 1655 B8R1.8 CCNC1CCOC1 2230a_100015525214_100000731011 [0,1,0,1,0,0|0,0,2]=4 1656 B8R1.8 CCNC1CCOC1 270004a_100015525214_100000752484 [0,1,0,1,0,0|0,0,2]=4 1657 B8R1.8 CCNC1CCSC1 270004a_100015525214_100000212027 [0,1,0,1,0,0|0,1,1]=4 1658 B8R1.8 CCN[C@@H]1CCOC1 2230a_200015188469_100000210202 [0,1,0,1,0,0|0,0,2]=4 1659 B8R1.8 CCN[C@H]1CCOC1 2230a_100015188467_100000210202 [0,1,0,1,0,0|0,0,2]=4 1660 B8R1.8 CCN[C@H]1CCOC1 34a_100015188467_100000210202 [0,1,0,1,0,0|0,0,2]=4 1661 B8R1.8 CCOC1CCCC1 34a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 1662 B8R1.8 CCOC1CCCC1 34a_100121572206_100000179811 [0,1,0,1,0,0|1,0,1]=4 1663 B8R1.8 CCOC1CCCC1 7a_100000210269_100000210202 [0,1,0,1,0,0|1,0,1]=4 1664 B8R1.8 CCOC1CCCO1 34a_100000085407_100000210202 [0,1,0,1,0,0|2,0,0]=4 1665 B8R1.8 CCOC1CCOC1 34a_100121572206_100000690089 [0,1,0,1,0,0|0,0,2]=4 1666 B8R1.8 CCOC1CCSC1 7a_100011232664_100000210202 [0,1,0,1,0,0|0,1,1]=4 1667 B8R1.8 CCO[C@H]1CCOC1 34a_100000717292_100000210202 [0,1,0,1,0,0|0,0,2]=4 1668 B8R1.8 CCSC1CCCC1 62a_100000210202_100000179811 [0,1,0,1,0,0|1,0,1]=4 1669 B8R1.8 CCSC1CCCC1 62a_100011217020_100000210202 [0,1,0,1,0,0|1,0,1]=4 1670 B8R1.8 CCSC1CCOC1 62a_100000210202_100000690089 [0,1,0,1,0,0|0,0,2]=4 1671 B8R1.8 CNCC1CCCC1 2230a_100000737975_200000210301 [0,1,0,1,0,0|1,0,1]=4 1672 B8R1.8 CNCC1CCCC1 2230a_106832991635_100000740388 [0,1,0,1,0,0|1,0,1]=4 1673 B8R1.8 CNCC1CCCC1 269862a_106832991636_100000746403 [0,1,0,1,0,0|1,0,1]=4 1674 B8R1.8 CNCC1CCCC1 34a_100000737975_200000210301 [0,1,0,1,0,0|1,0,1]=4 1675 B8R1.8 CNCC1CCCC1 34a_100102657272_100000740388 [0,1,0,1,0,0|1,0,1]=4 1676 B8R1.8 CNCC1CCCC1 7a_106832991635_100000740388 [0,1,0,1,0,0|1,0,1]=4 1677 B8R1.8 CNCC1CCCO1 2230a_106832991635_100000203698 [0,1,0,1,0,0|2,0,0]=4 1678 B8R1.8 CNCC1CCCO1 7a_106832991635_100000203698 [0,1,0,1,0,0|2,0,0]=4 1679 B8R1.8 CNCC1CCOC1 2230a_100000737293_200000210301 [0,1,0,1,0,0|0,0,2]=4 1680 B8R1.8 CNCC1CCOC1 2230a_106832991635_100000702531 [0,1,0,1,0,0|0,0,2]=4 1681 B8R1.8 CNCC1CCOC1 34a_100000737293_200000210301 [0,1,0,1,0,0|0,0,2]=4 1682 B8R1.8 CNCC1CCOC1 34a_100102657272_100011261433 [0,1,0,1,0,0|0,0,2]=4 1683 B8R1.8 CNCC1CCOC1 7a_106832991635_100000702531 [0,1,0,1,0,0|0,0,2]=4 1684 B8R1.8 CNC[C@@H]1CCCO1 2230a_100020590478_200000210301 [0,1,0,1,0,0|2,0,0]=4 1685 B8R1.8 CNC[C@@H]1CCCO1 34a_100020590478_200000210301 [0,1,0,1,0,0|2,0,0]=4 1686 B8R1.8 COCC1CCCC1 34a_100000742336_200000210301 [0,1,0,1,0,0|0,0,2]=4 1687 B8R1.8 COCC1CCCC1 34a_100138415774_100000740388 [0,1,0,1,0,0|0,0,2]=4 1688 B8R1.8 COCC1CCCC1 7a_100000742336_200000210301 [0,1,0,1,0,0|0,0,2]=4 1689 B8R1.8 COCC1CCCO1 34a_100000210270_200000210301 [0,1,0,1,0,0|2,0,0]=4 1690 B8R1.8 COCC1CCCO1 7a_100000210270_200000210301 [0,1,0,1,0,0|2,0,0]=4 1691 B8R1.8 COCC1CCNC1 34a_100000748654_200000210301 [0,1,0,1,0,0|1,0,1]=4 1692 B8R1.8 COCC1CCOC1 34a_100000740260_200000210301 [0,1,0,1,0,0|0,0,2]=4 1693 B8R1.8 COCC1CCOC1 34a_100138415774_100011261433 [0,1,0,1,0,0|0,0,2]=4 1694 B8R1.8 COC[C@H]1CCCN1 34a_100000745186_200000210301 [0,1,0,1,0,0|2,0,0]=4 1695 B8R1.8 CSCC1CCCC1 62a_100000740388_200000210301 [0,1,0,1,0,0|0,1,1]=4 1696 B8R1.8 CSCC1CCCC1 62a_200000210301_100000740388 [0,1,0,1,0,0|0,1,1]=4 1697 B8R1.8 CSCC1CCCO1 62a_100000203698_200000210301 [0,1,0,1,0,0|2,0,0]=4 1698 B8R1.8 CSCC1CCCO1 62a_200000210301_100000203698 [0,1,0,1,0,0|2,0,0]=4 1699 B8R1.8 CSCC1CCOC1 62a_100000702531_200000210301 [0,1,0,1,0,0|0,0,2]=4 1700 B8R1.8 CSCC1CCOC1 62a_200000210301_100000702531 [0,1,0,1,0,0|0,0,2]=4 1701 B8R1.8 FCNC1CCCC1 34a_100000211070_100015361967 [0,1,0,1,0,0|1,0,1]=4 1702 B8R1.8 FCOC1CCCC1 34a_100000210269_100015361967 [0,1,0,1,0,0|1,0,1]=4 1703 B8R1.8 FCOC1CCCC1 7a_100000210269_100015361967 [0,1,0,1,0,0|1,0,1]=4 1704 B8R1.8 FCSC1CCCC1 62a_100011217020_100015361967 [0,1,0,1,0,0|1,0,1]=4 1705 B8R1.8 FCSC1CCCC1 62a_100015361967_100000179811 [0,1,0,1,0,0|1,0,1]=4 1706 B8R1.8 O=CCN1CCCC1 2230a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 1707 B8R1.8 O=CCN1CCCC1 269982a_100000188435_200015260668 [0,1,0,1,0,0|1,0,0]=3 1708 B8R1.8 O=CCN1CCSC1 2230a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 1709 B8R1.8 O=CCN1CCSC1 269982a_100011215254_200015260668 [0,1,0,1,0,0|2,0,0]=4 1710 B8R1.8 [13CH3]NCC1CCCC1 2230a_100000737975_200025704644 [0,1,0,1,0,0|1,0,1]=4 1711 B8R1.8 [13CH3]NCC1CCCC1 34a_100000737975_200025704644 [0,1,0,1,0,0|1,0,1]=4 1712 B8R1.8 [13CH3]NCC1CCOC1 2230a_100000737293_200025704644 [0,1,0,1,0,0|0,0,2]=4 1713 B8R1.8 [13CH3]NCC1CCOC1 34a_100000737293_200025704644 [0,1,0,1,0,0|0,0,2]=4 1714 B8R1.8 [13CH3]NC[C@@H]1CCCO1 2230a_100020590478_200025704644 [0,1,0,1,0,0|2,0,0]=4 1715 B8R1.8 [13CH3]NC[C@@H]1CCCO1 34a_100020590478_200025704644 [0,1,0,1,0,0|2,0,0]=4 1716 B8R1.8 [13CH3]OCC1CCCC1 34a_100000742336_200025704644 [0,1,0,1,0,0|0,0,2]=4 1717 B8R1.8 [13CH3]OCC1CCCC1 7a_100000742336_200025704644 [0,1,0,1,0,0|0,0,2]=4 1718 B8R1.8 [13CH3]OCC1CCCO1 34a_100000210270_200025704644 [0,1,0,1,0,0|2,0,0]=4 1719 B8R1.8 [13CH3]OCC1CCCO1 7a_100000210270_200025704644 [0,1,0,1,0,0|2,0,0]=4 1720 B8R1.8 [13CH3]OCC1CCNC1 34a_100000748654_200025704644 [0,1,0,1,0,0|1,0,1]=4 1721 B8R1.8 [13CH3]OCC1CCOC1 34a_100000740260_200025704644 [0,1,0,1,0,0|0,0,2]=4 1722 B8R1.8 [13CH3]OC[C@H]1CCCN1 34a_100000745186_200025704644 [0,1,0,1,0,0|2,0,0]=4 1723 B8R1.8 [13CH3]SCC1CCCC1 62a_100000740388_200025704644 [0,1,0,1,0,0|0,1,1]=4 1724 B8R1.8 [13CH3]SCC1CCCC1 62a_200025704644_100000740388 [0,1,0,1,0,0|0,1,1]=4 1725 B8R1.8 [13CH3]SCC1CCCO1 62a_100000203698_200025704644 [0,1,0,1,0,0|2,0,0]=4 1726 B8R1.8 [13CH3]SCC1CCCO1 62a_200025704644_100000203698 [0,1,0,1,0,0|2,0,0]=4 1727 B8R1.8 [13CH3]SCC1CCOC1 62a_100000702531_200025704644 [0,1,0,1,0,0|0,0,2]=4 1728 B8R1.8 [13CH3]SCC1CCOC1 62a_200025704644_100000702531 [0,1,0,1,0,0|0,0,2]=4 1729 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 1730 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|2,0,0]=4 1731 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 1732 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 1733 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,1,0,1,0,0|2,0,0]=4 1734 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 1735 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 1736 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,1,0,1,0,0|2,0,0]=4 1737 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1738 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1739 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,1,0,1,0,0|2,0,0]=4 1740 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1741 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1742 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,1,0,1,0,0|2,0,0]=4 1743 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 1744 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 1745 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 1746 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,1,0,1,0,0|2,0,0]=4 1747 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 1748 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 1749 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 1750 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|1,0,0]=3 1751 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|1,0,0]=3 1752 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|2,0,0]=4 1753 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 1754 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|2,0,0]=4 1755 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,0]=3 1756 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,0]=3 1757 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 1758 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|2,0,0]=4 1759 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|1,0,0]=3 1760 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 1761 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,1,0,1,0,0|2,0,0]=4 1762 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,0]=3 1763 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,1,0,1,0,0|2,0,0]=4 1764 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|1,0,0]=3 1765 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|1,0,0]=3 1766 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|1,0,0]=3 1767 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|1,0,0]=3 1768 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|2,0,0]=4 1769 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|2,0,0]=4 1770 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,1,0,1,0,0|2,0,0]=4 1771 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 1772 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 1773 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 1774 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|2,0,0]=4 1775 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,0]=3 1776 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 1777 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,1,0,1,0,0|2,0,0]=4 1778 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,0]=3 1779 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|1,0,0]=3 1780 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|1,0,0]=3 1781 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|1,0,0]=3 1782 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|1,0,0]=3 1783 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|2,0,0]=4 1784 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|2,0,0]=4 1785 B8R1.13 C=CCN1CCC1C 269982a_100000755817_100000210623 [0,1,0,1,0,0|2,0,0]=4 1786 B8R1.13 C=CCN1CCC1C 34a_100000755817_100015514636 [0,1,0,1,0,0|2,0,0]=4 1787 B8R1.13 CC1CCN1CC=O 269982a_100000755817_200015260668 [0,1,0,1,0,0|1,0,0]=3 1788 B8R1.13 CC1CCN1CC=O 34a_100000755817_200009817547 [0,1,0,1,0,0|1,0,0]=3 1789 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|0,0,0]=2 1790 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|0,0,0]=2 1791 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|0,0,0]=2 1792 B8R1.13 COCC1CCN1C 2230a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1793 B8R1.13 COCC1CCN1C 269982a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1794 B8R1.13 COCC1CCN1C 34a_100015195929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1795 B8R1.13 COCC1CCN1[13CH3] 2230a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1796 B8R1.13 COCC1CCN1[13CH3] 269982a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1797 B8R1.13 COCC1CCN1[13CH3] 34a_100015195929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1798 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|1,0,0]=3 1799 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|1,0,0]=3 1800 B8R1.33 CCC(NC)C1CC1 2230a_100025715781_200000210301 [0,1,0,1,0,0|2,0,0]=4 1801 B8R1.33 CCC(NC)C1CC1 269862a_106832991636_100000759681 [0,1,0,1,0,0|2,0,0]=4 1802 B8R1.33 CCC(NC)C1CC1 34a_100025715781_200000210301 [0,1,0,1,0,0|2,0,0]=4 1803 B8R1.33 CCC(N[13CH3])C1CC1 2230a_100025715781_200025704644 [0,1,0,1,0,0|2,0,0]=4 1804 B8R1.33 CCC(N[13CH3])C1CC1 34a_100025715781_200025704644 [0,1,0,1,0,0|2,0,0]=4 1805 B8R1.33 CCC(OC)C1CC1 34a_100011351122_200000210301 [0,1,0,1,0,0|2,0,0]=4 1806 B8R1.33 CCC(OC)C1CC1 7a_100011351122_200000210301 [0,1,0,1,0,0|2,0,0]=4 1807 B8R1.33 CCC(O[13CH3])C1CC1 34a_100011351122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1808 B8R1.33 CCC(O[13CH3])C1CC1 7a_100011351122_200025704644 [0,1,0,1,0,0|2,0,0]=4 1809 B8R1.60 C=CC1(COC1)OC 34a_100000118599_200000210301 [0,1,0,1,0,0|2,0,0]=4 1810 B8R1.60 C=CC1(COC1)OC 7a_100000118599_200000210301 [0,1,0,1,0,0|2,0,0]=4 1811 B8R1.60 C=CC1(COC1)O[13CH3] 34a_100000118599_200025704644 [0,1,0,1,0,0|2,0,0]=4 1812 B8R1.60 C=CC1(COC1)O[13CH3] 7a_100000118599_200025704644 [0,1,0,1,0,0|2,0,0]=4 1813 B8R1.60 CCC1(COC1)OC 7a_100010739965_200000210301 [0,1,0,1,0,0|2,0,0]=4 1814 B8R1.60 CCC1(COC1)O[13CH3] 7a_100010739965_200025704644 [0,1,0,1,0,0|2,0,0]=4 1815 B8R1.82 C#CC1(CC1)NCC 34a_100020639468_100000210202 [0,1,0,1,0,0|1,0,1]=4 1816 B8R1.82 CCC1(CO1)CNC 34a_100102657272_200000139556 [0,1,0,1,0,0|0,0,2]=4 1817 B8R1.82 CCC1(CO1)CNC 7a_106832991635_200000139556 [0,1,0,1,0,0|0,0,2]=4 1818 B8R1.82 CCC1(CO1)COC 34a_100138415774_200000139556 [0,1,0,1,0,0|0,0,2]=4 1819 B8R1.82 CCC1(CO1)CSC 62a_200000139556_200000210301 [0,1,0,1,0,0|0,0,2]=4 1820 B8R1.82 CCC1(CO1)CSC 62a_200000210301_200000139556 [0,1,0,1,0,0|0,0,2]=4 1821 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200000139556_200025704644 [0,1,0,1,0,0|0,0,2]=4 1822 B8R1.82 CCC1(CO1)CS[13CH3] 62a_200025704644_200000139556 [0,1,0,1,0,0|0,0,2]=4 1823 B8R1.82 CCCC1(CC1)NC 2230a_100015185929_200000210301 [0,1,0,1,0,0|2,0,0]=4 1824 B8R1.82 CCCC1(CC1)N[13CH3] 2230a_100015185929_200025704644 [0,1,0,1,0,0|2,0,0]=4 1825 B8R1.82 CCNC1(CC1)C#N 2230a_100000756336_100000210202 [0,1,0,1,0,0|1,0,1]=4 1826 B8R1.82 CCNC1(CC1)C#N 34a_100000756336_100000210202 [0,1,0,1,0,0|1,0,1]=4 1827 B8R1.82 CCNC1(CC1)CC 2230a_100000732774_100000210202 [0,1,0,1,0,0|1,0,1]=4 1828 B8R1.82 CCNC1(CC1)CF 2230a_100000054953_100000210202 [0,1,0,1,0,0|1,0,1]=4 1829 B8R1.82 CCNC1(CC1)CF 34a_100000054953_100000210202 [0,1,0,1,0,0|1,0,1]=4 1830 B8R1.82 CCOC1(CC1)C#N 34a_100121572206_100009889376 [0,1,0,1,0,0|1,0,1]=4 1831 B8R1.82 CCSC1(CC1)C#N 62a_100000210202_100009889376 [0,1,0,1,0,0|1,0,1]=4 1832 B8R1.82 CCSC1(CC1)C#N 62a_100009889376_100000210202 [0,1,0,1,0,0|1,0,1]=4 1833 B8R1.82 CNCC1(CC1)C#N 2230a_100000725504_200000210301 [0,1,0,1,0,0|1,0,1]=4 1834 B8R1.82 CNCC1(CC1)C#N 2230a_106832991635_100000695377 [0,1,0,1,0,0|1,0,1]=4 1835 B8R1.82 CNCC1(CC1)C#N 34a_100102657272_100000695377 [0,1,0,1,0,0|1,0,1]=4 1836 B8R1.82 CNCC1(CC1)C#N 7a_106832991635_100000695377 [0,1,0,1,0,0|1,0,1]=4 1837 B8R1.82 CNCC1(CC1)CO 2230a_100000757901_200000210301 [0,1,0,1,0,0|0,0,2]=4 1838 B8R1.82 COCC1(CC1)C#N 34a_100000688837_200000210301 [0,1,0,1,0,0|1,0,1]=4 1839 B8R1.82 COCC1(CC1)C#N 34a_100138415774_100000695377 [0,1,0,1,0,0|1,0,1]=4 1840 B8R1.82 COCC1(CC1)C#N 7a_100000688837_200000210301 [0,1,0,1,0,0|1,0,1]=4 1841 B8R1.82 CSCC1(CC1)C#N 62a_100000695377_200000210301 [0,1,0,1,0,0|1,0,1]=4 1842 B8R1.82 CSCC1(CC1)C#N 62a_200000210301_100000695377 [0,1,0,1,0,0|1,0,1]=4 1843 B8R1.82 [13CH3]NCC1(CC1)C#N 2230a_100000725504_200025704644 [0,1,0,1,0,0|1,0,1]=4 1844 B8R1.82 [13CH3]NCC1(CC1)CO 2230a_100000757901_200025704644 [0,1,0,1,0,0|0,0,2]=4 1845 B8R1.82 [13CH3]OCC1(CC1)C#N 34a_100000688837_200025704644 [0,1,0,1,0,0|1,0,1]=4 1846 B8R1.82 [13CH3]OCC1(CC1)C#N 7a_100000688837_200025704644 [0,1,0,1,0,0|1,0,1]=4 1847 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_100000695377_200025704644 [0,1,0,1,0,0|1,0,1]=4 1848 B8R1.82 [13CH3]SCC1(CC1)C#N 62a_200025704644_100000695377 [0,1,0,1,0,0|1,0,1]=4 1849 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|0,0,2]=4 1850 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|0,0,2]=4 1851 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|0,0,0]=2 1852 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|0,0,0]=2 1853 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,0]=3 1854 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|1,0,0]=3 1855 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|1,0,0]=3 1856 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|1,0,0]=3 1857 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|1,0,0]=3 1858 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 1859 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 1860 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|2,0,0]=4 1861 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,0]=3 1862 B8R1.7 CN(C)C1CCCC1 2230a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 1863 B8R1.7 CN(C)C1CCCC1 2230a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 1864 B8R1.7 CN(C)C1CCCC1 269982a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 1865 B8R1.7 CN(C)C1CCCC1 269982a_100102631434_100000179811 [0,1,0,1,0,0|2,0,0]=4 1866 B8R1.7 CN(C)C1CCCC1 270004a_100102631434_100000210133 [0,1,0,1,0,0|2,0,0]=4 1867 B8R1.7 CN(C)C1CCCC1 34a_100000207505_200000210301 [0,1,0,1,0,0|2,0,0]=4 1868 B8R1.7 CN([13CH3])C1CCCC1 2230a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 1869 B8R1.7 CN([13CH3])C1CCCC1 269982a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 1870 B8R1.7 CN([13CH3])C1CCCC1 34a_100000207505_200025704644 [0,1,0,1,0,0|2,0,0]=4 1871 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|0,0,2]=4 1872 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|0,0,2]=4 1873 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|0,0,0]=2 1874 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,0]=3 1875 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|1,0,0]=3 1876 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,0]=3 1877 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,1,0,1,0,0|0,0,1]=3 1878 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,1,0,1,0,0|1,0,0]=3 1879 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,1,0,1,0,0|1,0,0]=3 1880 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,1,0,1,0,0|1,0,0]=3 1881 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,1,0,1,0,0|1,0,0]=3 1882 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,1,0,1,0,0|1,0,0]=3 1883 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,1,0,1,0,0|1,0,0]=3 1884 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,1,0,0|0,0,2]=4 1885 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,1,0,0|0,0,2]=4 1886 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,1,0,1,0,0|1,0,1]=4 1887 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,1,0,1,0,0|1,0,1]=4 1888 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,1,0,1,0,0|1,0,0]=3 1889 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,1,0,1,0,0|1,0,0]=3 1890 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,1,0,1,0,0|1,0,0]=3 1891 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,1,0,0|1,0,0]=3 1892 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,1,0,0|1,0,0]=3 1893 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,1,0,0|1,0,0]=3 1894 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|1,0,0]=3 1895 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,1,0,1,0,0|1,0,0]=3 1896 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,1,0,1,0,0|1,0,0]=3 1897 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,1,0,1,0,0|1,0,0]=3 1898 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,1,0,1,0,0|1,0,0]=3 1899 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,1,0,1,0,0|1,0,0]=3 1900 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,1,0,1,0,0|1,0,0]=3 1901 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,1,0,1,0,0|1,0,0]=3 1902 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,1,0,1,0,0|1,0,1]=4 1903 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,1,0,1,0,0|1,0,0]=3 1904 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,1,0,0|1,0,0]=3 1905 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|1,0,0]=3 1906 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,1,0,1,0,0|1,0,0]=3 1907 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,1,0,1,0,0|1,0,0]=3 1908 B8R1.52 CC1(CCCC1)O[13CH3] 34a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 1909 B8R1.52 CC1(CCCC1)O[13CH3] 7a_100000751722_200025704644 [0,1,0,1,0,0|2,0,0]=4 1910 B8R1.52 COC1(CCCC1)C 34a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4 1911 B8R1.52 COC1(CCCC1)C 7a_100000751722_200000210301 [0,1,0,1,0,0|2,0,0]=4