0 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,0,0,0,0,0|1,1,2]=4 1 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,0,0,0,0,0|1,1,2]=4 2 B7R0.10 C=CC(C)N(C)CC 269982a_100000225621_100011215867 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 34a_100015455354_200000210301 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.10 C=C[C@@H](C)[C@@H](C)OC 7a_100015455354_200000210301 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 34a_100015455354_200025704644 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.10 C=C[C@@H](C)[C@@H](C)O[13CH3] 7a_100015455354_200025704644 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.10 CC(CO)N(C)CF 269982a_100000693034_100015361967 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,0,0,0,0,0|1,1,2]=4 9 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,0,0,0,0,0|1,1,2]=4 10 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,0,0,0,0,0|1,1,1]=3 11 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,0,0,0,0,0|1,1,1]=3 12 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,0,0,0,0,0|2,1,1]=4 13 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,0,0,0,0,0|2,1,1]=4 14 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,0,0,0,0,0|2,1,1]=4 15 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,0,0,0,0,0|2,1,1]=4 16 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,0,0,0,0,0|2,1,1]=4 17 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,0,0,0,0,0|2,1,1]=4 18 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,0,0,0,0,0|2,1,1]=4 19 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,0,0,0,0,0|2,1,1]=4 20 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,0,0,0,0,0|1,1,1]=3 22 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,0,0,0,0,0|2,1,1]=4 23 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,0,0,0,0,0|2,1,1]=4 24 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,0,0,0,0,0|2,1,1]=4 25 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,0,0,0,0,0|2,1,1]=4 26 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,0,0,0,0,0|2,1,1]=4 27 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,0,0,0,0,0|2,1,1]=4 29 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,0,0,0,0,0|2,1,1]=4 30 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,0,0,0,0,0|2,1,1]=4 31 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,0,0,0,0,0|2,1,1]=4 32 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,0,0,0,0,0|3,0,0]=3 42 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,0,0,0,0,0|2,1,1]=4 46 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.10 CCN(C)C(C)C#N 2230a_100000225621_100000184139 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.10 CCN(C)C(C)C#N 269982a_100000225621_100000703298 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,0,0,0,0,0|2,0,0]=2 55 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,0,0,0,0,0|4,0,0]=4 56 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,0,0,0,0,0|2,0,0]=2 59 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,0,0,0,0,0|2,1,1]=4 60 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,0,0,0,0,0|2,1,1]=4 61 B6R0.1 C#CC(C)NCC 2230a_100000707721_100000210202 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.1 C#CC(C)NCC 34a_100000707721_100000210202 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.1 C#CC(C)OCC 34a_100121572206_200000035995 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.1 C#CC(C)SCC 62a_200000035995_100000210202 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.1 C#C[C@@H](C)OCC 34a_100009815206_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.1 C#C[C@@H](C)OCC 7a_100009815206_100000210202 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.1 C=CC(C)COC 34a_100011215527_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.1 C=CC(C)COC 7a_100011215527_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.1 C=CC(C)CO[13CH3] 34a_100011215527_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 C=CC(C)CO[13CH3] 7a_100011215527_200025704644 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 C=CC(C)OCC 34a_100000695699_100000210202 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.1 C=CC(C)SCC 62a_100011215867_100000210202 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.1 CC(CCBr)O[13CH3] 34a_100012276601_200025704644 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.1 CC(CCO)S[13CH3] 62a_100009893172_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.1 CC(CCO)S[13CH3] 62a_200025704644_100009893172 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.1 CC(CF)OCF 34a_100016041109_100015361967 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.1 CC(CF)OCF 7a_100016041109_100015361967 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.1 CC(CN)CO[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.1 CC(CN)OCF 34a_100000210904_100015361967 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.1 CC(CO)CN[13CH3] 34a_100000744482_200025704644 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.1 CC(CO)SCF 62a_100012180447_100015361967 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,0,0,0,0,0|1,1,1]=4 83 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,0,0,0,0,0|0,1,1]=3 84 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,0,0,0,0,0|0,1,1]=3 85 B6R0.1 CCC(C)CNC 2230a_100020588543_200000210301 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.1 CCC(C)CNC 2230a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.1 CCC(C)CNC 270004a_106832991635_100000243153 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.1 CCC(C)CNC 34a_100102657272_100000748023 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.1 CCC(C)CNC 7a_106832991635_100000748023 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCC(C)CN[13CH3] 2230a_100020588543_200025704644 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.1 CCC(C)COC 34a_100138415774_100000748023 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.1 CCC(C)CSC 62a_100000748023_200000210301 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.1 CCC(C)CSC 62a_200000210301_100000748023 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.1 CCC(C)CS[13CH3] 62a_100000748023_200025704644 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.1 CCC(C)CS[13CH3] 62a_200025704644_100000748023 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.1 CCC(C)OCF 7a_100000210228_100015361967 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.1 CCC(C)SCF 62a_100000758301_100015361967 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.1 CCC(C)SCF 62a_100015361967_100000758301 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.1 CCC(O)CNC 2230a_100011218483_200000210301 [1,0,0,0,0,0|2,1,0]=4 100 B6R0.1 CCC(O)CNC 2230a_106832991635_100011218378 [1,0,0,0,0,0|2,1,0]=4 101 B6R0.1 CCC(O)CNC 34a_100102657272_100011218378 [1,0,0,0,0,0|2,1,0]=4 102 B6R0.1 CCC(O)CNC 7a_106832991635_100011218378 [1,0,0,0,0,0|2,1,0]=4 103 B6R0.1 CCC(O)CN[13CH3] 2230a_100011218483_200025704644 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.1 CCC(O)COC 34a_100138415774_100011218378 [1,0,0,0,0,0|2,1,0]=4 105 B6R0.1 CCC(O)CSC 62a_100011218378_200000210301 [1,0,0,0,0,0|2,1,0]=4 106 B6R0.1 CCC(O)CSC 62a_200000210301_100011218378 [1,0,0,0,0,0|2,1,0]=4 107 B6R0.1 CCC(O)CS[13CH3] 62a_100011218378_200025704644 [1,0,0,0,0,0|2,1,0]=4 108 B6R0.1 CCC(O)CS[13CH3] 62a_200025704644_100011218378 [1,0,0,0,0,0|2,1,0]=4 109 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,0,0,0,0,0|1,1,1]=4 110 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,0,0,0,0,0|1,1,1]=4 111 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.1 CCCC(C)NC 2230a_100000741246_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.1 CCCC(C)NC 2230a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.1 CCCC(C)NC 270004a_106832991635_100000211909 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.1 CCCC(C)NC 34a_100102657272_100000766640 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.1 CCCC(C)NC 7a_106832991635_100000766640 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.1 CCCC(C)N[13CH3] 2230a_100000741246_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.1 CCCC(C)SC 62a_100000766640_200000210301 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.1 CCCC(C)SC 62a_200000210301_100000766640 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.1 CCCC(C)S[13CH3] 62a_100000766640_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.1 CCCC(C)S[13CH3] 62a_200025704644_100000766640 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.1 CCCN(C)CC 2230a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.1 CCCN(C)CC 2230a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B6R0.1 CCCN(C)CC 2230a_100000747261_100000210202 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.1 CCCN(C)CC 269982a_100000225621_100000210303 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.1 CCCN(C)CC 269982a_100000226822_200000210301 [1,0,0,0,0,0|2,0,0]=3 133 B6R0.1 CCCN(C)CC 269982a_100000747261_100000204670 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.1 CCCN(C)CF 269982a_100000747261_100015361967 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.1 CCCN([13CH3])CC 2230a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.1 CCCN([13CH3])CC 269982a_100000226822_200025704644 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.1 CCN(C)CCF 2230a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 138 B6R0.1 CCN(C)CCF 269982a_100000225621_100011217306 [1,0,0,0,0,0|3,0,0]=4 139 B6R0.1 CCN(C)CCO 2230a_100000210263_100000210202 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.1 CCN(C)CCO 2230a_100000210973_200000210301 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 CCN(C)CCO 2230a_100000225621_100000211926 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 CCN(C)CCO 269982a_100000210263_100000204670 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.1 CCN(C)CCO 269982a_100000210973_200000210301 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 CCN(C)CCO 269982a_100000225621_100000211926 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.1 CCN(C)COC 2230a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.1 CCN(C)COC 269982a_100000225621_100000766300 [1,0,0,0,0,0|3,0,0]=4 147 B6R0.1 CCN(C)CSC 2230a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.1 CCN(C)CSC 269982a_100000225621_100011218213 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.1 CCN([13CH3])CCO 2230a_100000210973_200025704644 [1,0,0,0,0,0|2,0,0]=3 150 B6R0.1 CCN([13CH3])CCO 269982a_100000210973_200025704644 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 152 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,0,0,0,0,0|2,0,1]=4 153 B6R0.1 CCNC(C)C#N 2230a_100000737613_100000210202 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.1 CCNC(C)C#N 2230a_100015525214_100000184139 [1,0,0,0,0,0|2,0,1]=4 155 B6R0.1 CCNC(C)CC 2230a_100000209981_100000210202 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.1 CCNC(C)CC 2230a_100015525214_100000758301 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.1 CCNC(C)CO 2230a_100015525214_100012180447 [1,0,0,0,0,0|1,0,0]=2 158 B6R0.1 CCN[C@H](C)CO 2230a_100000737577_100000210202 [1,0,0,0,0,0|1,0,0]=2 159 B6R0.1 CCOC(C)C#N 34a_100011218135_100000210202 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.1 CCOC(C)CC 34a_100121572206_100011215416 [1,0,0,0,0,0|2,0,0]=3 161 B6R0.1 CCOC(C)CC 7a_100000210228_100000210202 [1,0,0,0,0,0|2,0,0]=3 162 B6R0.1 CCOC(C)CF 34a_100016041109_100000210202 [1,0,0,0,0,0|2,0,0]=3 163 B6R0.1 CCOC(C)CF 7a_100016041109_100000210202 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.1 CCOC(C)CN 34a_100000210904_100000210202 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 CCOC(C)CO 34a_100121572206_100012180447 [1,0,0,0,0,0|1,0,0]=2 166 B6R0.1 CCSC(C)C#N 62a_100000210202_100000703298 [1,0,0,0,0,0|2,0,1]=4 167 B6R0.1 CCSC(C)C#N 62a_100000703298_100000210202 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.1 CCSC(C)CC 62a_100000210202_100000758301 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.1 CCSC(C)CC 62a_100000758301_100000210202 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.1 CCSC(C)CO 62a_100012180447_100000210202 [1,0,0,0,0,0|1,0,0]=2 171 B6R0.1 CCSC(C)OC 62a_100000210202_100009879195 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.1 CCSC(C)OC 62a_100009879195_100000210202 [1,0,0,0,0,0|3,0,0]=4 173 B6R0.1 CCS[C@H](C)CO 62a_100000210202_100016084084 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.1 CCS[C@H](C)CO 62a_100016084084_100000210202 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.1 CC[C@H](C)CNC 2230a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 176 B6R0.1 CC[C@H](C)CNC 34a_100102657272_100009816398 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.1 CC[C@H](C)CNC 7a_106832991635_100009816398 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.1 CC[C@H](C)COC 34a_100138415774_100009816398 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.1 CC[C@H](C)COC 7a_100009816381_200000210301 [1,0,0,0,0,0|2,0,0]=3 180 B6R0.1 CC[C@H](C)CO[13CH3] 7a_100009816381_200025704644 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.1 CC[C@H](C)CSC 62a_100009816398_200000210301 [1,0,0,0,0,0|2,0,0]=3 182 B6R0.1 CC[C@H](C)CSC 62a_200000210301_100009816398 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.1 CC[C@H](C)CS[13CH3] 62a_100009816398_200025704644 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.1 CC[C@H](C)CS[13CH3] 62a_200025704644_100009816398 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.1 CN(CF)CCO 269982a_100000210263_100015361967 [1,0,0,0,0,0|3,0,0]=4 186 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,0,0,0,0,0|1,1,1]=4 187 B6R0.1 CNC(C)CCO 2230a_106832991635_100009893172 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 CNC(C)CCO 34a_100102657272_100009893172 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 CNC(C)CCO 7a_106832991635_100009893172 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.1 CNC(C)COC 2230a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 191 B6R0.1 CNC(C)COC 270004a_106832991635_100000749346 [1,0,0,0,0,0|3,0,0]=4 192 B6R0.1 CNC(C)COC 34a_100102657272_100000765312 [1,0,0,0,0,0|3,0,0]=4 193 B6R0.1 CNC(C)COC 7a_106832991635_100000765312 [1,0,0,0,0,0|3,0,0]=4 194 B6R0.1 CNC(C)CSC 270004a_106832991635_100011216314 [1,0,0,0,0,0|3,0,0]=4 195 B6R0.1 CNCC(C)CO 34a_100000744482_200000210301 [1,0,0,0,0,0|1,0,0]=2 196 B6R0.1 CNCC(O)CO 2230a_106832991635_100011219619 [1,0,0,0,0,0|2,0,0]=3 197 B6R0.1 CNCC(O)CO 34a_100102657272_100011219619 [1,0,0,0,0,0|2,0,0]=3 198 B6R0.1 CNCC(O)CO 7a_106832991635_100011219619 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.1 CNC[C@@H](C)CO 2230a_106832991635_100000059175 [1,0,0,0,0,0|1,0,0]=2 200 B6R0.1 CNC[C@@H](C)CO 34a_100102657272_100000059175 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.1 CNC[C@@H](C)CO 7a_106832991635_100000059175 [1,0,0,0,0,0|1,0,0]=2 202 B6R0.1 CNC[C@@H](C)OC 2230a_100020591295_200000210301 [1,0,0,0,0,0|3,0,0]=4 203 B6R0.1 CNC[C@@H](F)CO 34a_100015665980_200000210301 [1,0,0,0,0,0|2,0,0]=3 204 B6R0.1 CNC[C@@H](O)CF 2230a_106832991635_100015614560 [1,0,0,0,0,0|3,0,0]=4 205 B6R0.1 CNC[C@@H](O)CF 34a_100102657272_100015614560 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CNC[C@@H](O)CF 7a_106832991635_100015614560 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CNC[C@@H](O)CO 2230a_106832991635_100009815848 [1,0,0,0,0,0|2,0,0]=3 208 B6R0.1 CNC[C@@H](O)CO 34a_100102657272_100009815848 [1,0,0,0,0,0|2,0,0]=3 209 B6R0.1 CNC[C@@H](O)CO 7a_106832991635_100009815848 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.1 CNC[C@H](O)CO 2230a_100020644852_200000210301 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.1 CN[C@H](C)CCO 2230a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.1 CN[C@H](C)CCO 34a_100000706166_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B6R0.1 CN[C@H](C)COC 2230a_100000764878_200000210301 [1,0,0,0,0,0|3,0,0]=4 214 B6R0.1 COC(C)CCBr 34a_100012276601_200000210301 [1,0,0,0,0,0|3,0,0]=4 215 B6R0.1 COC(C)CCO 34a_100138415774_100009893172 [1,0,0,0,0,0|2,0,0]=3 216 B6R0.1 COC(C)CO[13CH3] 34a_100000690652_200025704644 [1,0,0,0,0,0|3,0,0]=4 217 B6R0.1 COCC(C)CN 34a_100000744482_200000210301 [1,0,0,0,0,0|2,0,0]=3 218 B6R0.1 COCC(C)OC 34a_100000690652_200000210301 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.1 COCC(C)OC 34a_100138415774_100000765312 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.1 COCC(C)SC 62a_100000765312_200000210301 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.1 COCC(C)SC 62a_200000210301_100000765312 [1,0,0,0,0,0|3,0,0]=4 222 B6R0.1 COCC(C)S[13CH3] 62a_100000765312_200025704644 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.1 COCC(C)S[13CH3] 62a_200025704644_100000765312 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.1 COCC(Cl)CCl 34a_100000033668_200000210301 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.1 COCC(O)CO 34a_100138415774_100011219619 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.1 COC[C@@H](C)CO 34a_100138415774_100000059175 [1,0,0,0,0,0|1,0,0]=2 227 B6R0.1 COC[C@@H](C)N[13CH3] 2230a_100000764878_200025704644 [1,0,0,0,0,0|3,0,0]=4 228 B6R0.1 COC[C@@H](C)OC 34a_100011934205_200000210301 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.1 COC[C@@H](C)O[13CH3] 34a_100011934205_200025704644 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.1 COC[C@@H](O)CF 34a_100138415774_100015614560 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.1 COC[C@@H](O)CO 34a_100138415774_100009815848 [1,0,0,0,0,0|2,0,0]=3 232 B6R0.1 COC[C@H](F)CN 34a_100015665980_200000210301 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.1 CO[C@H](C)CN[13CH3] 2230a_100020591295_200025704644 [1,0,0,0,0,0|3,0,0]=4 234 B6R0.1 CSC(C)CCO 62a_100009893172_200000210301 [1,0,0,0,0,0|2,0,0]=3 235 B6R0.1 CSC(C)CCO 62a_200000210301_100009893172 [1,0,0,0,0,0|2,0,0]=3 236 B6R0.1 CSCC(O)CO 62a_100011219619_200000210301 [1,0,0,0,0,0|2,0,0]=3 237 B6R0.1 CSCC(O)CO 62a_200000210301_100011219619 [1,0,0,0,0,0|2,0,0]=3 238 B6R0.1 CSC[C@@H](C)CO 62a_100000059175_200000210301 [1,0,0,0,0,0|1,0,0]=2 239 B6R0.1 CSC[C@@H](C)CO 62a_200000210301_100000059175 [1,0,0,0,0,0|1,0,0]=2 240 B6R0.1 CSC[C@@H](O)CF 62a_100015614560_200000210301 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.1 CSC[C@@H](O)CF 62a_200000210301_100015614560 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.1 CSC[C@@H](O)CO 62a_100009815848_200000210301 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.1 CSC[C@@H](O)CO 62a_200000210301_100009815848 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_100000059175_200025704644 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.1 C[C@@H](CO)CS[13CH3] 62a_200025704644_100000059175 [1,0,0,0,0,0|1,0,0]=2 246 B6R0.1 C[C@H](CCO)N[13CH3] 2230a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 247 B6R0.1 C[C@H](CCO)N[13CH3] 34a_100000706166_200025704644 [1,0,0,0,0,0|2,0,0]=3 248 B6R0.1 C[C@H](CO)SCF 62a_100015361967_100016084084 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.1 C[C@H](CO)SCF 62a_100016084084_100015361967 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,0,0,0,0,0|1,1,1]=4 251 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,0,0,0,0,0|1,1,1]=4 253 B6R0.1 [13CH3]NC[C@@H](F)CO 34a_100015665980_200025704644 [1,0,0,0,0,0|2,0,0]=3 254 B6R0.1 [13CH3]NC[C@H](O)CO 2230a_100020644852_200025704644 [1,0,0,0,0,0|2,0,0]=3 255 B6R0.1 [13CH3]OCC(Cl)CCl 34a_100000033668_200025704644 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.1 [13CH3]OC[C@H](F)CN 34a_100015665980_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B6R0.1 [13CH3]SCC(O)CO 62a_100011219619_200025704644 [1,0,0,0,0,0|2,0,0]=3 258 B6R0.1 [13CH3]SCC(O)CO 62a_200025704644_100011219619 [1,0,0,0,0,0|2,0,0]=3 259 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_100015614560_200025704644 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.1 [13CH3]SC[C@@H](O)CF 62a_200025704644_100015614560 [1,0,0,0,0,0|3,0,0]=4 261 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_100009815848_200025704644 [1,0,0,0,0,0|2,0,0]=3 262 B6R0.1 [13CH3]SC[C@@H](O)CO 62a_200025704644_100009815848 [1,0,0,0,0,0|2,0,0]=3 263 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|1,1,1]=4 264 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,0,0|1,1,1]=4 265 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|1,1,1]=4 266 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [1,0,0,0,0,0|2,0,0]=3 267 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B6R0.3 CC(C)N(C)CF 269982a_200000211004_100015361967 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [1,0,0,0,0,0|2,0,0]=3 270 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [1,0,0,0,0,0|2,0,0]=3 271 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [1,0,0,0,0,0|2,0,0]=3 272 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [1,0,0,0,0,0|2,0,0]=3 273 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [1,0,0,0,0,0|2,0,0]=3 274 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,0,0|0,1,1]=3 275 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,0,0|0,1,1]=3 276 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,0,0|1,1,1]=4 277 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,0,0|1,1,1]=4 278 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,0,0|1,1,1]=4 279 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,0,0|1,1,1]=4 280 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,0,0|1,1,1]=4 281 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,0,0|1,1,1]=4 282 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|0,1,1]=3 283 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|0,1,1]=3 284 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,2]=4 285 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,2]=4 286 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,2]=4 287 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,0,0,0,0,0|2,0,0]=3 288 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,0,0,0,0,0|2,0,0]=3 289 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,0,0,0,0,0|2,0,0]=3 290 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,0,0,0,0,0|2,0,0]=3 291 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,0,0,0,0,0|2,0,0]=3 292 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,0,0,0,0,0|2,0,0]=3 293 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|0,1,2]=4 294 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|0,1,2]=4 295 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [1,0,0,0,0,0|2,0,0]=3 296 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [1,0,0,0,0,0|2,0,0]=3 297 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [1,0,0,0,0,0|2,0,0]=3 298 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [1,0,0,0,0,0|2,0,0]=3 299 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [1,0,0,0,0,0|2,0,0]=3 300 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [1,0,0,0,0,0|2,0,0]=3 301 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,0,0|1,1,1]=4 303 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,0,0|1,1,1]=4 304 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,0,0|1,1,1]=4 305 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,0,0|1,1,1]=4 306 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,0,0|1,1,1]=4 307 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,0,0|1,1,1]=4 308 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,0,0|1,1,1]=4 309 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [1,0,0,0,0,0|2,0,0]=3 310 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [1,0,0,0,0,0|2,0,0]=3 311 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [1,0,0,0,0,0|3,0,0]=4 312 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|1,1,1]=4 313 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [1,0,0,0,0,0|2,0,0]=3 314 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|1,1,1]=4 315 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|1,1,1]=4 316 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|1,1,1]=4 319 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,0|1,1,1]=4 320 B8R0.2 CC(C)C(C)N(C)CF 269982a_100000228512_100015361967 [0,1,0,0,0,0|3,0,0]=4 321 B8R0.2 CC(C)N(C)C(C)CO 2230a_100000693034_100000210206 [0,1,0,0,0,0|2,0,0]=3 322 B8R0.2 CC(C)N(C)C(C)CO 269982a_100000693034_100000210206 [0,1,0,0,0,0|2,0,0]=3 323 B8R0.2 CC(C)N(C)[C@H](C)CO 269982a_200000211004_100016084084 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,0|1,1,1]=4 325 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,0|1,1,1]=4 326 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,0|1,1,1]=4 327 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,0,0,0,0|1,1,1]=4 328 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,0|2,0,1]=4 329 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|1,1,1]=4 330 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|1,1,1]=4 331 B8R0.2 CCC(C)C(C)N(C)C 270004a_100102631434_100000210599 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.2 CCC(C)N(C)C(C)C 2230a_100000741768_100000210206 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.2 CCC(C)N(C)C(C)C 269982a_100000741768_100000210206 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.2 CCC(C)N(C)C(C)C 269982a_200000211004_100000758301 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000228512_100000210202 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.2 CCN(C)C(C)C(C)C 2230a_100000746363_200000210301 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000228512_100000204670 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.2 CCN(C)C(C)C(C)C 269982a_100000746363_200000210301 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.2 CCN([13CH3])C(C)C(C)C 2230a_100000746363_200025704644 [0,1,0,0,0,0|3,0,0]=4 341 B8R0.2 CCN([13CH3])C(C)C(C)C 269982a_100000746363_200025704644 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|1,1,1]=4 343 B8R0.3 C#CCN(C)C(C)CC 2230a_100000225692_100000758301 [0,1,0,0,0,0|3,0,0]=4 344 B8R0.3 C#CCN(C)C(C)CC 2230a_100000741768_100000038162 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.3 C#CCN(C)C(C)CC 34a_100000225692_100011215416 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.3 C#CCN(C)C(C)CO 2230a_100000225692_100012180447 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.3 C#CCN(C)C(C)CO 2230a_100000693034_100000038162 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.3 C#CCN(C)C(C)CO 34a_100000225692_100012180447 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,1,0,0,0,0|1,1,1]=4 350 B8R0.3 C=CCN(C)C(C)CC 2230a_100000225617_100000758301 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.3 C=CCN(C)C(C)CC 2230a_100000741768_100000210623 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.3 C=CCN(C)C(C)CC 269982a_100000225617_100000758301 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.3 C=CCN(C)C(C)CC 269982a_100000741768_100000210623 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.3 C=CCN(C)C(C)CO 2230a_100000225617_100012180447 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.3 C=CCN(C)C(C)CO 2230a_100000693034_100000210623 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.3 C=CCN(C)C(C)CO 269982a_100000693034_100000210623 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.3 C=CCN(C)[C@H](C)CO 269982a_100000225617_100016084084 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 34a_100015455354_100000210202 [0,1,0,0,0,0|2,0,1]=4 359 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7a_100015455354_100000210202 [0,1,0,0,0,0|2,0,1]=4 360 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,1,0,0,0,0|1,1,1]=4 361 B8R0.3 CC(CCO)N(C)CF 269982a_100000731037_100015361967 [0,1,0,0,0,0|3,0,0]=4 362 B8R0.3 CC(CO)N(C)CC#N 2230a_100000693034_100011215382 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.3 CC(CO)N(C)CC#N 2230a_100000748184_100012180447 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.3 CC(CO)N(C)CC#N 269982a_100000693034_100011214920 [0,1,0,0,0,0|2,0,1]=4 365 B8R0.3 CC(CO)N(C)CC=O 2230a_100000693034_200015260668 [0,1,0,0,0,0|2,0,1]=4 366 B8R0.3 CC(CO)N(C)CC=O 269982a_100000693034_200015260668 [0,1,0,0,0,0|2,0,1]=4 367 B8R0.3 CC(CO)N(C)CCF 2230a_100000693034_100011217306 [0,1,0,0,0,0|2,0,0]=3 368 B8R0.3 CC(CO)N(C)CCF 269982a_100000693034_100011217306 [0,1,0,0,0,0|2,0,0]=3 369 B8R0.3 CC(CO)N(C)CCO 2230a_100000210263_100012180447 [0,1,0,0,0,0|2,0,0]=3 370 B8R0.3 CC(CO)N(C)CCO 2230a_100000693034_100000211926 [0,1,0,0,0,0|2,0,0]=3 371 B8R0.3 CC(CO)N(C)CCO 269982a_100000693034_100000211926 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,1,0,0,0,0|1,1,1]=4 373 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,1,0,0,0,0|0,1,1]=3 374 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,1,0,0,0,0|0,1,1]=3 375 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,1,0,0,0,0|0,1,1]=3 376 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,1,0,0,0,0|0,2,1]=4 377 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,1,0,0,0,0|1,1,1]=4 378 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,1,0,0,0,0|1,1,1]=4 379 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,1,0,0,0,0|1,1,1]=4 380 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,1,0,0,0,0|1,1,1]=4 381 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,1,0,0,0,0|1,1,1]=4 382 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,1,0,0,0,0|1,1,1]=4 383 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,1,0,0,0,0|1,1,1]=4 384 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,1,0,0,0,0|1,1,1]=4 385 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,1,0,0,0,0|1,1,1]=4 386 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,1,0,0,0,0|2,0,0]=3 387 B8R0.3 CCC(C)N(C)CC#N 2230a_100000741768_100011215382 [0,1,0,0,0,0|3,0,0]=4 388 B8R0.3 CCC(C)N(C)CC#N 2230a_100000748184_100000758301 [0,1,0,0,0,0|3,0,0]=4 389 B8R0.3 CCC(C)N(C)CC#N 269982a_100000741768_100011214920 [0,1,0,0,0,0|3,0,0]=4 390 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,1,0,0,0,0|2,0,1]=4 391 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.3 CCC(C)N(C)CCF 2230a_100000741768_100011217306 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.3 CCC(C)N(C)CCF 269982a_100000741768_100011217306 [0,1,0,0,0,0|3,0,0]=4 394 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,1,0,0,0,0|2,0,0]=3 398 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,1,0,0,0,0|2,0,0]=3 399 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.3 CCC(C)N(C)CSC 2230a_100000741768_100011218213 [0,1,0,0,0,0|2,1,0]=4 401 B8R0.3 CCC(C)N(C)CSC 269982a_100000741768_100011218213 [0,1,0,0,0,0|2,1,0]=4 402 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,1,0,0,0,0|1,1,1]=4 403 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,1,0,0,0,0|1,1,1]=4 404 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,1,0,0,0,0|1,1,1]=4 405 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [0,1,0,0,0,0|1,1,1]=4 406 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,1,0,0,0,0|1,1,1]=4 407 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,1,0,0,0,0|1,1,1]=4 408 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.3 CCCC(C)C(C)NC 270004a_106832991635_100011216282 [0,1,0,0,0,0|3,0,0]=4 410 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 411 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,1,0,0,0,0|3,0,0]=4 412 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 413 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,1,0,0,0,0|3,0,0]=4 414 B8R0.3 CCCC(C)N(C)CC 2230a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 415 B8R0.3 CCCC(C)N(C)CC 269982a_100000225621_100000766640 [0,1,0,0,0,0|3,0,0]=4 416 B8R0.3 CCCN(C)C(C)CC 2230a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 417 B8R0.3 CCCN(C)C(C)CC 2230a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 418 B8R0.3 CCCN(C)C(C)CC 2230a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 419 B8R0.3 CCCN(C)C(C)CC 269982a_100000741768_100000210303 [0,1,0,0,0,0|3,0,0]=4 420 B8R0.3 CCCN(C)C(C)CC 269982a_100000747261_100000758301 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.3 CCCN(C)C(C)CC 269982a_200011216551_200000210301 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.3 CCCN(C)C(C)CO 2230a_100000693034_100000210303 [0,1,0,0,0,0|2,0,0]=3 423 B8R0.3 CCCN(C)C(C)CO 2230a_100000747261_100012180447 [0,1,0,0,0,0|2,0,0]=3 424 B8R0.3 CCCN(C)C(C)CO 2230a_100011303929_200000210301 [0,1,0,0,0,0|2,0,0]=3 425 B8R0.3 CCCN(C)C(C)CO 269982a_100000693034_100000210303 [0,1,0,0,0,0|2,0,0]=3 426 B8R0.3 CCCN(C)C(C)CO 269982a_100011303929_200000210301 [0,1,0,0,0,0|2,0,0]=3 427 B8R0.3 CCCN(C)[C@H](C)CO 269982a_100000747261_100016084084 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.3 CCCN([13CH3])C(C)CC 2230a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 429 B8R0.3 CCCN([13CH3])C(C)CC 269982a_200011216551_200025704644 [0,1,0,0,0,0|3,0,0]=4 430 B8R0.3 CCCN([13CH3])C(C)CO 2230a_100011303929_200025704644 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.3 CCCN([13CH3])C(C)CO 269982a_100011303929_200025704644 [0,1,0,0,0,0|2,0,0]=3 432 B8R0.3 CCN(C)C(C)CC#N 2230a_100000225621_100009813641 [0,1,0,0,0,0|3,0,0]=4 433 B8R0.3 CCN(C)C(C)CC#N 269982a_100000225621_100009813641 [0,1,0,0,0,0|3,0,0]=4 434 B8R0.3 CCN(C)C(C)CCO 2230a_100000225621_100009893172 [0,1,0,0,0,0|2,0,0]=3 435 B8R0.3 CCN(C)C(C)CCO 2230a_100000731037_100000210202 [0,1,0,0,0,0|2,0,0]=3 436 B8R0.3 CCN(C)C(C)CCO 2230a_100011935059_200000210301 [0,1,0,0,0,0|2,0,0]=3 437 B8R0.3 CCN(C)C(C)CCO 269982a_100000225621_100009893172 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.3 CCN(C)C(C)CCO 269982a_100000731037_100000204670 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.3 CCN(C)C(C)CCO 269982a_100011935059_200000210301 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.3 CCN(C)C(C)COC 2230a_100000225621_100000765312 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.3 CCN(C)C(C)COC 269982a_100000225621_100000765312 [0,1,0,0,0,0|2,0,0]=3 442 B8R0.3 CCN(C)C(C)COC 7a_100000732741_200000210301 [0,1,0,0,0,0|2,0,0]=3 443 B8R0.3 CCN(C)C(C)CO[13CH3] 7a_100000732741_200025704644 [0,1,0,0,0,0|2,0,0]=3 444 B8R0.3 CCN([13CH3])C(C)CCO 2230a_100011935059_200025704644 [0,1,0,0,0,0|2,0,0]=3 445 B8R0.3 CCN([13CH3])C(C)CCO 269982a_100011935059_200025704644 [0,1,0,0,0,0|2,0,0]=3 446 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,1,0,0,0,0|1,1,1]=4 447 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,1,0,0,0,0|1,1,1]=4 448 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,1,0,0,0,0|1,1,1]=4 449 B8R0.3 CCNC(=O)C(O)CO 240690a_100015525214_100011215603 [0,1,0,0,0,0|1,1,1]=4 450 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,1,0,0,0,0|1,1,1]=4 451 B8R0.3 CCNC(C)C(C)CC 269862a_100015525214_100000210599 [0,1,0,0,0,0|2,0,0]=3 452 B8R0.3 CCNC(C)C(C)CC 270004a_100015525214_100000210599 [0,1,0,0,0,0|2,0,0]=3 453 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,1,0,0,0,0|1,1,1]=4 454 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,1,0,0,0,0|2,0,0]=3 455 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,1,0,0,0,0|1,1,1]=4 456 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,1,0,0,0,0|1,1,1]=4 457 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,1,0,0,0,0|1,1,1]=4 458 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,1,0,0,0,0|1,1,1]=4 459 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,1,0,0,0,0|1,1,1]=4 460 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,1,0,0,0,0|1,1,1]=4 461 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,1,0,0,0,0|1,1,1]=4 462 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,1,0,0,0,0|1,1,1]=4 463 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,1,0,0,0,0|1,1,1]=4 464 B8R0.3 COC(C)N(C)CCO 269982a_100000210263_100009879195 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,1,0,0,0,0|1,1,1]=4 466 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,1,0,0,0,0|1,1,1]=4 467 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,1,0,0,0,0|1,1,1]=4 468 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,1,0,0,0,0|1,1,1]=4 469 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,1,0,0,0,0|1,1,1]=4 470 B8R0.3 COCN(C)C(C)CO 2230a_100000693034_100000766300 [0,1,0,0,0,0|2,0,0]=3 471 B8R0.3 COCN(C)C(C)CO 269982a_100000693034_100000766300 [0,1,0,0,0,0|2,0,0]=3 472 B8R0.3 CSCN(C)C(C)CO 2230a_100000693034_100011218213 [0,1,0,0,0,0|2,0,0]=3 473 B8R0.3 CSCN(C)C(C)CO 269982a_100000693034_100011218213 [0,1,0,0,0,0|2,0,0]=3 474 B8R0.3 C[C@H](CO)N(C)CCO 269982a_100000210263_100016084084 [0,1,0,0,0,0|2,0,0]=3 475 B8R0.3 O=C(CCF)C(O)CO 1458a_100011215603_100011217306 [0,1,0,0,0,0|1,1,1]=4 476 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,1,0,0,0,0|1,1,1]=4 477 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,1,0,0,0,0|1,1,1]=4 478 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,1,0,0,0,0|1,1,1]=4 479 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,1,0,0,0,0|1,1,1]=4 480 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,1,0,0,0,0|0,1,1]=3 481 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,1,0,0,0,0|1,1,1]=4 482 B8R0.13 CCC(C)(C)N(C)CF 269982a_200000755171_100015361967 [0,1,0,0,0,0|3,0,0]=4 483 B8R0.13 CCN(C)C(C)(C)CC 2230a_200000755171_100000210202 [0,1,0,0,0,0|3,0,0]=4 484 B8R0.13 CCN(C)C(C)(C)CC 269982a_100000225621_100000032637 [0,1,0,0,0,0|3,0,0]=4 485 B8R0.13 CCN(C)C(C)(C)CC 269982a_200000755171_100000204670 [0,1,0,0,0,0|3,0,0]=4 486 B8R0.13 CCN(C)C(C)(C)CO 269982a_100000747347_200000210301 [0,1,0,0,0,0|2,0,0]=3 487 B8R0.13 CCN(C)C(C)(C)CO 269982a_100015204102_100000204670 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.13 CCN([13CH3])C(C)(C)CO 269982a_100000747347_200025704644 [0,1,0,0,0,0|2,0,0]=3 489 B8R0.13 CN(CF)C(C)(C)CO 269982a_100015204102_100015361967 [0,1,0,0,0,0|3,0,0]=4 490 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,1,0,0,0,0|1,1,1]=4 491 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,1,0,0,0,0|1,1,1]=4 492 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,1,0,0,0,0|1,1,1]=4 493 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,1,0,0,0,0|1,1,1]=4 494 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,1,0,0,0,0|1,1,1]=4 495 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,1,0,0,0,0|1,1,1]=4 496 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,1,0,0,0,0|1,1,1]=4 497 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,1,0,0,0,0|1,1,1]=4 498 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,1,0,0,0,0|1,1,1]=4 499 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,1,0,0,0,0|1,1,1]=4 500 B8R0.20 CCC(C)N(CC)CC 2230a_100000724800_100000758301 [0,1,0,0,0,0|3,0,0]=4 501 B8R0.20 CCC(C)N(CC)CC 2230a_100000732650_100000210202 [0,1,0,0,0,0|3,0,0]=4 502 B8R0.20 CCC(C)N(CC)CC 269956a_100000042499_100000758301 [0,1,0,0,0,0|3,0,0]=4 503 B8R0.20 CCC(C)N(CC)CC 269982a_100000724800_100000758301 [0,1,0,0,0,0|3,0,0]=4 504 B8R0.20 CCC(C)N(CC)CC 269982a_100000732650_100000204670 [0,1,0,0,0,0|3,0,0]=4 505 B8R0.20 CCC(C)N(CC)CF 269982a_100000732650_100015361967 [0,1,0,0,0,0|3,0,0]=4 506 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,1,0,0,0,0|2,0,1]=4 507 B8R0.20 CCC(CC)C(C)NC 269862a_106832991636_100011393642 [0,1,0,0,0,0|3,0,0]=4 508 B8R0.20 CCC(CC)C(C)NC 270004a_106832991635_100011393642 [0,1,0,0,0,0|3,0,0]=4 509 B8R0.20 CCC(CC)N(C)CC 2230a_100000732065_200000210301 [0,1,0,0,0,0|3,0,0]=4 510 B8R0.20 CCC(CC)N(C)CC 2230a_100000737045_100000210202 [0,1,0,0,0,0|3,0,0]=4 511 B8R0.20 CCC(CC)N(C)CC 269982a_100000225621_100000210505 [0,1,0,0,0,0|3,0,0]=4 512 B8R0.20 CCC(CC)N(C)CC 269982a_100000732065_200000210301 [0,1,0,0,0,0|3,0,0]=4 513 B8R0.20 CCC(CC)N(C)CC 269982a_100000737045_100000204670 [0,1,0,0,0,0|3,0,0]=4 514 B8R0.20 CCC(CC)N(C)CF 269982a_100000737045_100015361967 [0,1,0,0,0,0|3,0,0]=4 515 B8R0.20 CCC(CC)N([13CH3])CC 2230a_100000732065_200025704644 [0,1,0,0,0,0|3,0,0]=4 516 B8R0.20 CCC(CC)N([13CH3])CC 269982a_100000732065_200025704644 [0,1,0,0,0,0|3,0,0]=4 517 B8R0.20 CCN(CC)C(C)CO 2230a_100000724800_100012180447 [0,1,0,0,0,0|2,0,0]=3 518 B8R0.20 CCN(CC)C(C)CO 2230a_100000731049_100000210202 [0,1,0,0,0,0|2,0,0]=3 519 B8R0.20 CCN(CC)C(C)CO 269982a_100000731049_100000204670 [0,1,0,0,0,0|2,0,0]=3 520 B8R0.20 CCN(CC)[C@H](C)CO 269956a_100000042499_100016084084 [0,1,0,0,0,0|2,0,0]=3 521 B8R0.20 CCN(CC)[C@H](C)CO 269982a_100000724800_100016084084 [0,1,0,0,0,0|2,0,0]=3 522 B8R0.20 CCN(CF)C(C)CO 269982a_100000731049_100015361967 [0,1,0,0,0,0|2,0,0]=3 523 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,1,0,0,0,0|1,0,0]=2 524 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,1,0,0,0,0|1,0,0]=2 525 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,1,0,0,0,0|1,1,1]=4 526 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,1,0,0,0,0|1,1,1]=4 527 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,1,0,0,0,0|1,1,1]=4 528 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,1,0,0,0,0|1,1,1]=4 529 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,1,0,0,0,0|1,1,1]=4 530 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,1,0,0,0,0|1,1,1]=4 531 B8R1.5 CC1CCCCN1C 2230a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 532 B8R1.5 CC1CCCCN1C 269982a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 533 B8R1.5 CC1CCCCN1C 34a_100000211376_200000210301 [0,0,0,1,0,0|3,0,0]=4 534 B8R1.5 CC1CCCCN1[13CH3] 2230a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 535 B8R1.5 CC1CCCCN1[13CH3] 269982a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 536 B8R1.5 CC1CCCCN1[13CH3] 34a_100000211376_200025704644 [0,0,0,1,0,0|3,0,0]=4 537 B8R1.5 C[C@H]1COCCN1C 2230a_100009815349_200000210301 [0,0,0,1,0,0|2,0,0]=3 538 B8R1.5 C[C@H]1COCCN1C 269982a_100009815349_200000210301 [0,0,0,1,0,0|2,0,0]=3 539 B8R1.5 C[C@H]1COCCN1C 34a_100009815349_200000210301 [0,0,0,1,0,0|2,0,0]=3 540 B8R1.5 C[C@H]1COCCN1[13CH3] 2230a_100009815349_200025704644 [0,0,0,1,0,0|2,0,0]=3 541 B8R1.5 C[C@H]1COCCN1[13CH3] 269982a_100009815349_200025704644 [0,0,0,1,0,0|2,0,0]=3 542 B8R1.5 C[C@H]1COCCN1[13CH3] 34a_100009815349_200025704644 [0,0,0,1,0,0|2,0,0]=3 543 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 544 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,0,0,1,0,0|3,0,0]=4 545 B8R1.11 CCC1C=CCN1C 2230a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 546 B8R1.11 CCC1C=CCN1C 269982a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 547 B8R1.11 CCC1C=CCN1C 34a_100000730860_200000210301 [0,0,0,1,0,0|3,0,0]=4 548 B8R1.11 CCC1C=CCN1[13CH3] 2230a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 549 B8R1.11 CCC1C=CCN1[13CH3] 269982a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 550 B8R1.11 CCC1C=CCN1[13CH3] 34a_100000730860_200025704644 [0,0,0,1,0,0|3,0,0]=4 551 B8R1.11 CCC1CCCN1C 2230a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 552 B8R1.11 CCC1CCCN1C 269982a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 553 B8R1.11 CCC1CCCN1C 34a_100000754278_200000210301 [0,0,0,1,0,0|3,0,0]=4 554 B8R1.11 CCC1CCCN1[13CH3] 2230a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 555 B8R1.11 CCC1CCCN1[13CH3] 269982a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 556 B8R1.11 CCC1CCCN1[13CH3] 34a_100000754278_200025704644 [0,0,0,1,0,0|3,0,0]=4 557 B8R1.11 CCN1CCC[C@@H]1C 2230a_100020605311_100000210202 [0,0,0,1,0,0|3,0,0]=4 558 B8R1.11 CCN1CCC[C@@H]1C 269982a_100020605311_100000204670 [0,0,0,1,0,0|3,0,0]=4 559 B8R1.11 CCN1CCC[C@H]1C 2230a_100015189458_100000210202 [0,0,0,1,0,0|3,0,0]=4 560 B8R1.11 CCN1CCC[C@H]1C 269982a_100015189458_100000204670 [0,0,0,1,0,0|3,0,0]=4 561 B8R1.11 CCN1CCC[C@H]1C 34a_100015189458_100000210202 [0,0,0,1,0,0|3,0,0]=4 562 B8R1.11 CN1CCC[C@@H]1CO 2230a_100000745186_200000210301 [0,0,0,1,0,0|2,0,0]=3 563 B8R1.11 CN1CCC[C@@H]1CO 269982a_100000745186_200000210301 [0,0,0,1,0,0|2,0,0]=3 564 B8R1.11 CN1CCC[C@@H]1CO 34a_100000745186_200000210301 [0,0,0,1,0,0|2,0,0]=3 565 B8R1.11 CNC1CCCC1C 269862a_106832991636_100000752053 [0,0,0,1,0,0|3,0,0]=4 566 B8R1.11 CNC1COCC1O 34a_100102657272_200000725654 [0,0,0,1,0,0|3,0,0]=4 567 B8R1.11 CNC1COCC1O 7a_106832991635_200000725654 [0,0,0,1,0,0|3,0,0]=4 568 B8R1.11 CN[C@H]1COC[C@@H]1O 2230a_100015191717_200000210301 [0,0,0,1,0,0|3,0,0]=4 569 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 570 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,0,0,1,0,0|3,0,0]=4 571 B8R1.11 COC1COCC1O 34a_100138415774_200000725654 [0,0,0,1,0,0|3,0,0]=4 572 B8R1.11 CO[C@@H]1CCC[C@H]1Cl 34a_200016002552_200000210301 [0,0,0,1,0,0|3,0,0]=4 573 B8R1.11 CO[C@H]1CCC[C@@H]1N 34a_100000748460_200000210301 [0,0,0,1,0,0|3,0,0]=4 574 B8R1.11 CO[C@H]1CNC[C@H]1C 34a_200015306588_200000210301 [0,0,0,1,0,0|3,0,0]=4 575 B8R1.11 CO[C@H]1COC[C@@H]1N 34a_100015191717_200000210301 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.11 CSC1COCC1O 62a_200000210301_200000725654 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.11 CSC1COCC1O 62a_200000725654_200000210301 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,0,0,1,0,0|2,1,0]=4 579 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,0,0,1,0,0|2,1,0]=4 580 B8R1.11 C[C@@H]1CCCN1CF 269982a_100015189458_100015361967 [0,0,0,1,0,0|3,0,0]=4 581 B8R1.11 C[C@@H]1CCCN1CF 34a_100015189458_100015361967 [0,0,0,1,0,0|3,0,0]=4 582 B8R1.11 C[C@@H]1CNC[C@@H]1O[13CH3] 34a_200015306588_200025704644 [0,0,0,1,0,0|3,0,0]=4 583 B8R1.11 C[C@H]1CCCN1CF 269982a_100020605311_100015361967 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.11 [13CH3]N1CCC[C@@H]1CO 2230a_100000745186_200025704644 [0,0,0,1,0,0|2,0,0]=3 585 B8R1.11 [13CH3]N1CCC[C@@H]1CO 269982a_100000745186_200025704644 [0,0,0,1,0,0|2,0,0]=3 586 B8R1.11 [13CH3]N1CCC[C@@H]1CO 34a_100000745186_200025704644 [0,0,0,1,0,0|2,0,0]=3 587 B8R1.11 [13CH3]N[C@H]1COC[C@@H]1O 2230a_100015191717_200025704644 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.11 [13CH3]O[C@@H]1CCC[C@H]1Cl 34a_200016002552_200025704644 [0,0,0,1,0,0|3,0,0]=4 589 B8R1.11 [13CH3]O[C@H]1CCC[C@@H]1N 34a_100000748460_200025704644 [0,0,0,1,0,0|3,0,0]=4 590 B8R1.11 [13CH3]O[C@H]1COC[C@@H]1N 34a_100015191717_200025704644 [0,0,0,1,0,0|3,0,0]=4 591 B8R1.11 [13CH3]SC1COCC1O 62a_200000725654_200025704644 [0,0,0,1,0,0|3,0,0]=4 592 B8R1.11 [13CH3]SC1COCC1O 62a_200025704644_200000725654 [0,0,0,1,0,0|3,0,0]=4 593 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,0,0,1,0,0|2,1,0]=4 594 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,0,0,1,0,0|2,1,0]=4 595 B8R1.38 CC(N[13CH3])C1CCC1 2230a_100016994624_200025704644 [0,0,0,1,0,0|3,0,0]=4 596 B8R1.38 CC(N[13CH3])C1CCC1 34a_100016994624_200025704644 [0,0,0,1,0,0|3,0,0]=4 597 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,0,0,1,0,0|3,0,0]=4 598 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,0,0,1,0,0|3,0,0]=4 599 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,0,0,1,0,0|1,1,1]=4 600 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,0,0,1,0,0|1,1,1]=4 601 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,0,0,1,0,0|0,1,1]=3 602 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,0,0,1,0,0|0,1,1]=3 603 B8R1.38 CCC(C)N1CCC1 269982a_100000754969_100000758301 [0,0,0,1,0,0|3,0,0]=4 604 B8R1.38 CCN(C)C1CCC1 2230a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 605 B8R1.38 CCN(C)C1CCC1 2230a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 606 B8R1.38 CCN(C)C1CCC1 269982a_100000225621_100000749161 [0,0,0,1,0,0|3,0,0]=4 607 B8R1.38 CCN(C)C1CCC1 269982a_100000758072_100000204670 [0,0,0,1,0,0|3,0,0]=4 608 B8R1.38 CCN(C)C1CCC1 269982a_100000758130_200000210301 [0,0,0,1,0,0|3,0,0]=4 609 B8R1.38 CCN(C)C1CCC1 34a_100000758072_100000210202 [0,0,0,1,0,0|3,0,0]=4 610 B8R1.38 CCN(C)C1COC1 2230a_100102693430_100000210202 [0,0,0,1,0,0|2,0,0]=3 611 B8R1.38 CCN(C)C1COC1 2230a_200015199590_200000210301 [0,0,0,1,0,0|2,0,0]=3 612 B8R1.38 CCN(C)C1COC1 269982a_100000225621_100000687716 [0,0,0,1,0,0|2,0,0]=3 613 B8R1.38 CCN(C)C1COC1 269982a_100102693430_100000204670 [0,0,0,1,0,0|2,0,0]=3 614 B8R1.38 CCN(C)C1COC1 269982a_200015199590_200000210301 [0,0,0,1,0,0|2,0,0]=3 615 B8R1.38 CCN([13CH3])C1CCC1 2230a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 616 B8R1.38 CCN([13CH3])C1CCC1 269982a_100000758130_200025704644 [0,0,0,1,0,0|3,0,0]=4 617 B8R1.38 CCN([13CH3])C1COC1 2230a_200015199590_200025704644 [0,0,0,1,0,0|2,0,0]=3 618 B8R1.38 CCN([13CH3])C1COC1 269982a_200015199590_200025704644 [0,0,0,1,0,0|2,0,0]=3 619 B8R1.38 CN(CF)C1CCC1 269982a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 620 B8R1.38 CN(CF)C1CCC1 34a_100000758072_100015361967 [0,0,0,1,0,0|3,0,0]=4 621 B8R1.38 CN(CF)C1COC1 269982a_100102693430_100015361967 [0,0,0,1,0,0|3,0,0]=4 622 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,0,0,1,0,0|1,1,1]=4 623 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,0,0,1,0,0|1,1,1]=4 624 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,0,0,1,0,0|1,1,1]=4 625 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,0,0,1,0,0|1,1,1]=4 626 B8R1.38 CNC(C)C1CCC1 2230a_100016994624_200000210301 [0,0,0,1,0,0|3,0,0]=4 627 B8R1.38 CNC(C)C1CCC1 269862a_106832991636_100000760154 [0,0,0,1,0,0|3,0,0]=4 628 B8R1.38 CNC(C)C1CCC1 34a_100016994624_200000210301 [0,0,0,1,0,0|3,0,0]=4 629 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,0,0,1,0,0|3,0,0]=4 630 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,0,0,1,0,0|3,0,0]=4 631 B8R1.38 C[C@H](CO)N1CCC1 269982a_100000754969_100016084084 [0,0,0,1,0,0|2,0,0]=3 632 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,0,0,1,0,0|1,1,1]=4 633 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,0,0,1,0,0|2,0,1]=4 634 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,0,0,1,0,0|1,1,1]=4 635 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,0,0,1,0,0|1,1,1]=4 636 B8R1.39 CNC(C)C1(CC1)C 269862a_106832991636_100000184723 [0,0,0,1,0,0|3,0,0]=4 637 B8R1.39 CNC(C)C1(CC1)F 269862a_106832991636_100000052362 [0,0,0,1,0,0|3,0,0]=4 638 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,0,0,1,0,0|2,0,0]=3 639 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,0,0,1,0,0|2,0,0]=3 640 B8R1.46 C[C@H]1[C@H](CN1CF)O 269982a_206633788156_100015361967 [0,0,0,1,0,0|3,0,0]=4 641 B8R1.50 CC1CCC(N1C)C 2230a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 642 B8R1.50 CC1CCC(N1C)C 269982a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 643 B8R1.50 CC1CCC(N1C)C 34a_100000687148_200000210301 [0,0,0,1,0,0|3,0,0]=4 644 B8R1.50 CC1CCC(N1[13CH3])C 2230a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 645 B8R1.50 CC1CCC(N1[13CH3])C 269982a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 646 B8R1.50 CC1CCC(N1[13CH3])C 34a_100000687148_200025704644 [0,0,0,1,0,0|3,0,0]=4 647 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [0,0,0,1,0,0|1,1,1]=4 648 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [0,0,0,1,0,0|1,1,1]=4 649 B8R0.19 C#CC(C)NC(C)CC 2230a_100000707721_100000758301 [0,0,0,0,0,1|2,0,1]=4 650 B8R0.19 C#CC(C)NC(C)CC 34a_100000707721_100011215416 [0,0,0,0,0,1|2,0,1]=4 651 B8R0.19 C#CC(C)NC(C)CO 2230a_100000707721_100012180447 [0,0,0,0,0,1|1,0,2]=4 652 B8R0.19 C#CC(C)NC(C)CO 34a_100000707721_100012180447 [0,0,0,0,0,1|1,0,2]=4 653 B8R0.19 C#CC(C)SC(C)CC 62a_200000035995_100000758301 [0,0,0,0,0,1|2,0,1]=4 654 B8R0.19 C#CC(C)S[C@H](C)CO 62a_200000035995_100016084084 [0,0,0,0,0,1|1,0,2]=4 655 B8R0.19 C#C[C@@H](C)OC(C)CC 34a_100009815206_100011215416 [0,0,0,0,0,1|2,0,1]=4 656 B8R0.19 C#C[C@@H](C)OC(C)CC 7a_100009815206_100000758301 [0,0,0,0,0,1|2,0,1]=4 657 B8R0.19 C#C[C@@H](C)OC(C)CO 34a_100009815206_100012180447 [0,0,0,0,0,1|1,0,2]=4 658 B8R0.19 C#C[C@@H](C)OC(C)CO 7a_100009815206_100012180447 [0,0,0,0,0,1|1,0,2]=4 659 B8R0.19 C=CC(C)OC(C)CC 34a_100000695699_100011215416 [0,0,0,0,0,1|2,0,1]=4 660 B8R0.19 C=CC(C)OC(C)CO 34a_100000695699_100012180447 [0,0,0,0,0,1|1,0,2]=4 661 B8R0.19 C=CC(C)SC(C)CC 62a_100011215867_100000758301 [0,0,0,0,0,1|2,0,1]=4 662 B8R0.19 C=CC(C)S[C@H](C)CO 62a_100011215867_100016084084 [0,0,0,0,0,1|1,0,2]=4 663 B8R0.19 CC(C#N)NC(C)CO 2230a_100000737613_100012180447 [0,0,0,0,0,1|2,0,1]=4 664 B8R0.19 CC(C#N)N[C@H](C)CO 2230a_100000737577_100000184139 [0,0,0,0,0,1|2,0,1]=4 665 B8R0.19 CC(C#N)OC(C)CO 34a_100011218135_100012180447 [0,0,0,0,0,1|2,0,1]=4 666 B8R0.19 CC(C#N)SC(C)CO 62a_100012180447_100000703298 [0,0,0,0,0,1|2,0,1]=4 667 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100000703298_100016084084 [0,0,0,0,0,1|2,0,1]=4 668 B8R0.19 CC(C#N)S[C@H](C)CO 62a_100016084084_100000703298 [0,0,0,0,0,1|2,0,1]=4 669 B8R0.19 CC(CN)OC(C)CO 34a_100000210904_100012180447 [0,0,0,0,0,1|2,0,0]=3 670 B8R0.19 CC(CO)N[C@H](C)CO 2230a_100000737577_100012180447 [0,0,0,0,0,1|2,0,0]=3 671 B8R0.19 CC(CO)OC(C)CF 34a_100016041109_100012180447 [0,0,0,0,0,1|2,0,0]=3 672 B8R0.19 CC(CO)OC(C)CF 7a_100016041109_100012180447 [0,0,0,0,0,1|2,0,0]=3 673 B8R0.19 CC(CO)SC(F)C#N 62a_100012180447_200000117898 [0,0,0,0,0,1|2,0,1]=4 674 B8R0.19 CC(CO)S[C@H](C)CO 62a_100012180447_100016084084 [0,0,0,0,0,1|2,0,0]=3 675 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,0,0,0,0,1|1,1,1]=4 676 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,0,0,0,0,1|1,1,1]=4 677 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,0,0,0,0,1|1,1,1]=4 678 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,0,0,0,0,1|0,1,1]=3 679 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,0,0,0,0,1|1,1,1]=4 680 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,0,0,0,0,1|1,1,1]=4 681 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,0,0,0,0,1|1,1,1]=4 682 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,0,0,0,0,1|1,1,1]=4 683 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,0,0,0,0,1|1,1,1]=4 684 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,0,0,0,0,1|1,1,1]=4 685 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,0,0,0,0,1|1,1,1]=4 686 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,0,0,0,0,1|1,1,1]=4 687 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,0,0,0,0,1|0,1,1]=3 688 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,0,0,0,0,1|0,1,1]=3 689 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,0,0,0,0,1|2,0,1]=4 690 B8R0.19 CCC(C)CC(C)NC 2230a_100000763565_200000210301 [0,0,0,0,0,1|3,0,0]=4 691 B8R0.19 CCC(C)CC(C)NC 270004a_106832991635_100011710205 [0,0,0,0,0,1|3,0,0]=4 692 B8R0.19 CCC(C)CC(C)N[13CH3] 2230a_100000763565_200025704644 [0,0,0,0,0,1|3,0,0]=4 693 B8R0.19 CCC(C)CN(C)CC 2230a_100000225621_100000748023 [0,0,0,0,0,1|3,0,0]=4 694 B8R0.19 CCC(C)CN(C)CC 2230a_100000753921_100000210202 [0,0,0,0,0,1|3,0,0]=4 695 B8R0.19 CCC(C)CN(C)CC 269982a_100000225621_100000748023 [0,0,0,0,0,1|3,0,0]=4 696 B8R0.19 CCC(C)CN(C)CC 269982a_100000753921_100000204670 [0,0,0,0,0,1|3,0,0]=4 697 B8R0.19 CCC(C)CN(C)CF 269982a_100000753921_100015361967 [0,0,0,0,0,1|3,0,0]=4 698 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,0,0,0,0,1|2,0,1]=4 699 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,0,0,0,0,1|2,0,1]=4 700 B8R0.19 CCC(C)NC(C)C#N 2230a_100000209981_100000184139 [0,0,0,0,0,1|2,0,1]=4 701 B8R0.19 CCC(C)NC(C)C#N 2230a_100000737613_100000758301 [0,0,0,0,0,1|2,0,1]=4 702 B8R0.19 CCC(C)NC(C)CC 2230a_100000209981_100000758301 [0,0,0,0,0,1|2,0,0]=3 703 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,0,0,0,0,1|1,0,0]=2 704 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,0,0,0,0,1|1,0,0]=2 705 B8R0.19 CCC(C)OC(C)C#N 34a_100011218135_100011215416 [0,0,0,0,0,1|2,0,1]=4 706 B8R0.19 CCC(C)OC(C)C#N 7a_100000210228_100000703298 [0,0,0,0,0,1|2,0,1]=4 707 B8R0.19 CCC(C)OC(C)CC 7a_100000210228_100000758301 [0,0,0,0,0,1|2,0,0]=3 708 B8R0.19 CCC(C)OC(C)CF 34a_100016041109_100011215416 [0,0,0,0,0,1|2,0,0]=3 709 B8R0.19 CCC(C)OC(C)CF 7a_100016041109_100000758301 [0,0,0,0,0,1|2,0,0]=3 710 B8R0.19 CCC(C)OC(C)CN 34a_100000210904_100011215416 [0,0,0,0,0,1|2,0,0]=3 711 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,0,0,0,0,1|1,0,0]=2 712 B8R0.19 CCC(C)SC(C)C#N 62a_100000703298_100000758301 [0,0,0,0,0,1|2,0,1]=4 713 B8R0.19 CCC(C)SC(C)C#N 62a_100000758301_100000703298 [0,0,0,0,0,1|2,0,1]=4 714 B8R0.19 CCC(C)SC(C)CC 62a_100000758301_100000758301 [0,0,0,0,0,1|2,0,0]=3 715 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,0,0,0,0,1|1,0,0]=2 716 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,0,0,0,0,1|3,0,0]=4 717 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,0,0,0,0,1|3,0,0]=4 718 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,0,0,0,0,1|1,0,0]=2 719 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,0,0,0,0,1|1,0,0]=2 720 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,0,0,0,0,1|1,1,1]=4 721 B8R0.19 CCC(O)CN(C)CC 2230a_100000225621_100011218378 [0,0,0,0,0,1|2,1,0]=4 722 B8R0.19 CCC(O)CN(C)CC 2230a_100011365200_200000210301 [0,0,0,0,0,1|2,1,0]=4 723 B8R0.19 CCC(O)CN(C)CC 269982a_100000225621_100011218378 [0,0,0,0,0,1|2,1,0]=4 724 B8R0.19 CCC(O)CN(C)CC 269982a_100011365200_200000210301 [0,0,0,0,0,1|2,1,0]=4 725 B8R0.19 CCC(O)CN([13CH3])CC 2230a_100011365200_200025704644 [0,0,0,0,0,1|2,1,0]=4 726 B8R0.19 CCC(O)CN([13CH3])CC 269982a_100011365200_200025704644 [0,0,0,0,0,1|2,1,0]=4 727 B8R0.19 CCN(C)CC(O)CO 2230a_100000225621_100011219619 [0,0,0,0,0,1|3,0,0]=4 728 B8R0.19 CCN(C)CC(O)CO 2230a_100011216503_100000210202 [0,0,0,0,0,1|3,0,0]=4 729 B8R0.19 CCN(C)CC(O)CO 269982a_100011216503_100000204670 [0,0,0,0,0,1|3,0,0]=4 730 B8R0.19 CCN(C)C[C@@H](C)CO 2230a_100000225621_100000059175 [0,0,0,0,0,1|2,0,0]=3 731 B8R0.19 CCN(C)C[C@@H](C)CO 269982a_100000225621_100000059175 [0,0,0,0,0,1|2,0,0]=3 732 B8R0.19 CCN(C)C[C@@H](O)CO 2230a_100000225621_100009815848 [0,0,0,0,0,1|3,0,0]=4 733 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,0,0,0,0,1|2,0,1]=4 734 B8R0.19 CC[C@H](C)CN(C)CC 2230a_100000225621_100009816398 [0,0,0,0,0,1|3,0,0]=4 735 B8R0.19 CC[C@H](C)CN(C)CC 269982a_100000225621_100009816398 [0,0,0,0,0,1|3,0,0]=4 736 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,0,0,0,0,1|1,1,1]=4 737 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,0,0,0,0,1|1,1,1]=4 738 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,0,0,0,0,1|1,1,1]=4 739 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,0,0,0,0,1|1,1,1]=4 740 B8R0.19 COC(C)SC(C)CO 62a_100012180447_100009879195 [0,0,0,0,0,1|2,0,0]=3 741 B8R0.19 COC(C)S[C@H](C)CO 62a_100009879195_100016084084 [0,0,0,0,0,1|2,0,0]=3 742 B8R0.19 COC(C)S[C@H](C)CO 62a_100016084084_100009879195 [0,0,0,0,0,1|2,0,0]=3 743 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,0,0,0,0,1|1,1,1]=4 744 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,0,0,0,0,1|1,1,1]=4 745 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,0,0,0,0,1|1,1,1]=4 746 B8R0.19 C[C@H](CO)SC(F)C#N 62a_100016084084_200000117898 [0,0,0,0,0,1|2,0,1]=4 747 B8R0.19 C[C@H](CO)SC(F)C#N 62a_200000117898_100016084084 [0,0,0,0,0,1|2,0,1]=4 748 B8R0.19 C[C@H](CO)S[C@H](C)CO 62a_100016084084_100016084084 [0,0,0,0,0,1|2,0,0]=3 749 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,1,1]=4 750 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,1,1]=4 751 B5R0.1 CC(Br)CO[13CH3] 34a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 752 B5R0.1 CC(C)CN[13CH3] 2230a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 753 B5R0.1 CC(C)CN[13CH3] 34a_100000210953_200025704644 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.1 CC(C)CO[13CH3] 34a_100000210257_200025704644 [2,0,0,0,0,0|1,0,0]=3 755 B5R0.1 CC(C)CS[13CH3] 62a_100000210624_200025704644 [2,0,0,0,0,0|1,0,0]=3 756 B5R0.1 CC(C)CS[13CH3] 62a_200025704644_100000210760 [2,0,0,0,0,0|1,0,0]=3 757 B5R0.1 CC(C)NCF 34a_100138425928_100015361967 [2,0,0,0,0,0|2,0,0]=4 758 B5R0.1 CC(C)OCF 34a_100000212225_100015361967 [2,0,0,0,0,0|2,0,0]=4 759 B5R0.1 CC(C)SCF 62a_100000210206_100015361967 [2,0,0,0,0,0|2,0,0]=4 760 B5R0.1 CC(C)SCF 62a_100015361967_100000210206 [2,0,0,0,0,0|2,0,0]=4 761 B5R0.1 CC(F)CO[13CH3] 34a_100015925927_200025704644 [2,0,0,0,0,0|2,0,0]=4 762 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 763 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|1,0,0]=3 764 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [2,0,0,0,0,0|1,0,0]=3 765 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [2,0,0,0,0,0|1,0,0]=3 766 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|0,0,2]=4 767 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|0,0,2]=4 768 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|0,0,2]=4 769 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 770 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 771 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [2,0,0,0,0,0|1,0,0]=3 772 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [2,0,0,0,0,0|1,0,0]=3 773 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 774 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [2,0,0,0,0,0|1,0,0]=3 775 B5R0.1 CCNC(C)C 2230a_100015525214_100000210206 [2,0,0,0,0,0|1,0,0]=3 776 B5R0.1 CCNC(C)C 2230a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 777 B5R0.1 CCNC(C)C 34a_100138425928_100000210202 [2,0,0,0,0,0|1,0,0]=3 778 B5R0.1 CCOC(C)C 34a_100000212225_100000210202 [2,0,0,0,0,0|1,0,0]=3 779 B5R0.1 CCOC(C)C 34a_100121572206_100000210206 [2,0,0,0,0,0|1,0,0]=3 780 B5R0.1 CCSC(C)C 62a_100000210202_100000210206 [2,0,0,0,0,0|1,0,0]=3 781 B5R0.1 CCSC(C)C 62a_100000210206_100000210202 [2,0,0,0,0,0|1,0,0]=3 782 B5R0.1 CN(C)CCF 2230a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 783 B5R0.1 CN(C)CCF 269982a_100102631434_100011217306 [2,0,0,0,0,0|2,0,0]=4 784 B5R0.1 CN(C)CCO 2230a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 785 B5R0.1 CN(C)CCO 2230a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.1 CN(C)CCO 269982a_100000210263_200000210301 [2,0,0,0,0,0|2,0,0]=4 787 B5R0.1 CN(C)CCO 269982a_100102631434_100000211926 [2,0,0,0,0,0|2,0,0]=4 788 B5R0.1 CN([13CH3])CCO 2230a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 789 B5R0.1 CN([13CH3])CCO 269982a_100000210263_200025704644 [2,0,0,0,0,0|2,0,0]=4 790 B5R0.1 CNCC(C)C 2230a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 791 B5R0.1 CNCC(C)C 2230a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 792 B5R0.1 CNCC(C)C 270004a_106832991635_100000210432 [2,0,0,0,0,0|1,0,0]=3 793 B5R0.1 CNCC(C)C 34a_100000210953_200000210301 [2,0,0,0,0,0|1,0,0]=3 794 B5R0.1 CNCC(C)C 34a_100102657272_100000210624 [2,0,0,0,0,0|1,0,0]=3 795 B5R0.1 CNCC(C)C 7a_106832991635_100000210760 [2,0,0,0,0,0|1,0,0]=3 796 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 797 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 798 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [2,0,0,0,0,0|1,0,0]=3 799 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [2,0,0,0,0,0|1,0,0]=3 800 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [2,0,0,0,0,0|1,0,0]=3 801 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 802 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [2,0,0,0,0,0|1,0,0]=3 803 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [2,0,0,0,0,0|1,0,0]=3 804 B5R0.1 COCC(C)Br 34a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 805 B5R0.1 COCC(C)C 34a_100000210257_200000210301 [2,0,0,0,0,0|1,0,0]=3 806 B5R0.1 COCC(C)C 34a_100138415774_100000210624 [2,0,0,0,0,0|1,0,0]=3 807 B5R0.1 COCC(C)F 34a_100015925927_200000210301 [2,0,0,0,0,0|2,0,0]=4 808 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [2,0,0,0,0,0|1,0,0]=3 809 B5R0.1 COCN(C)C 2230a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 810 B5R0.1 COCN(C)C 269982a_100102631434_100000766300 [2,0,0,0,0,0|2,0,0]=4 811 B5R0.1 COC[C@@H](C)Cl 34a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 812 B5R0.1 COC[C@@H](C)N 34a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 813 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [2,0,0,0,0,0|1,0,0]=3 814 B5R0.1 CSCC(C)C 62a_100000210624_200000210301 [2,0,0,0,0,0|1,0,0]=3 815 B5R0.1 CSCC(C)C 62a_200000210301_100000210760 [2,0,0,0,0,0|1,0,0]=3 816 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [2,0,0,0,0,0|1,0,0]=3 817 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [2,0,0,0,0,0|1,0,0]=3 818 B5R0.1 CSCN(C)C 2230a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 819 B5R0.1 CSCN(C)C 269982a_100102631434_100011218213 [2,0,0,0,0,0|2,0,0]=4 820 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [2,0,0,0,0,0|1,0,0]=3 821 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [2,0,0,0,0,0|1,0,0]=3 822 B5R0.1 C[C@@H](Cl)CO[13CH3] 34a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 823 B5R0.1 C[C@@H](N)CO[13CH3] 34a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 824 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [2,0,0,0,0,0|1,0,0]=3 825 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [2,0,0,0,0,0|1,0,0]=3 826 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,1,1]=4 827 B5R0.2 CCCCNC 2230a_100000102301_200000210301 [2,0,0,0,0,0|2,0,0]=4 828 B5R0.2 CCCCNC 2230a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 829 B5R0.2 CCCCNC 34a_100102657272_100000210210 [2,0,0,0,0,0|2,0,0]=4 830 B5R0.2 CCCCNC 7a_106832991635_100000210211 [2,0,0,0,0,0|2,0,0]=4 831 B5R0.2 CCCCNC 7a_106832991798_200000210301 [2,0,0,0,0,0|2,0,0]=4 832 B5R0.2 CCCCN[13CH3] 2230a_100000102301_200025704644 [2,0,0,0,0,0|2,0,0]=4 833 B5R0.2 CCCCN[13CH3] 7a_106832991798_200025704644 [2,0,0,0,0,0|2,0,0]=4 834 B5R0.2 CCCCOC 34a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 835 B5R0.2 CCCCOC 34a_100138415774_100000210210 [2,0,0,0,0,0|2,0,0]=4 836 B5R0.2 CCCCOC 7a_100000210227_200000210301 [2,0,0,0,0,0|2,0,0]=4 837 B5R0.2 CCCCO[13CH3] 34a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 838 B5R0.2 CCCCO[13CH3] 7a_100000210227_200025704644 [2,0,0,0,0,0|2,0,0]=4 839 B5R0.2 CCCCSC 62a_100000210211_200000210301 [2,0,0,0,0,0|2,0,0]=4 840 B5R0.2 CCCCSC 62a_200000210301_100000210210 [2,0,0,0,0,0|2,0,0]=4 841 B5R0.2 CCCCS[13CH3] 62a_100000210211_200025704644 [2,0,0,0,0,0|2,0,0]=4 842 B5R0.2 CCCCS[13CH3] 62a_200025704644_100000210210 [2,0,0,0,0,0|2,0,0]=4 843 B5R0.2 CCCNCC 2230a_100015525214_100000210303 [2,0,0,0,0,0|2,0,0]=4 844 B5R0.2 CCCOCC 34a_100000210258_100000210202 [2,0,0,0,0,0|2,0,0]=4 845 B5R0.2 CCCOCC 34a_100121572206_100000210303 [2,0,0,0,0,0|2,0,0]=4 846 B5R0.2 CCCOCF 34a_100000210258_100015361967 [2,0,0,0,0,0|2,0,0]=4 847 B5R0.2 CCCSCC 62a_100000210202_100000210303 [2,0,0,0,0,0|2,0,0]=4 848 B5R0.2 CCCSCC 62a_100000210303_100000210202 [2,0,0,0,0,0|2,0,0]=4 849 B5R0.2 CCCSCF 62a_100000210303_100015361967 [2,0,0,0,0,0|2,0,0]=4 850 B5R0.2 CCCSCF 62a_100015361967_100000210303 [2,0,0,0,0,0|2,0,0]=4 851 B5R0.2 CCNCCF 2230a_100015525214_100011217306 [2,0,0,0,0,0|2,0,0]=4 852 B5R0.2 CCNCCF 34a_100000724931_100000210202 [2,0,0,0,0,0|2,0,0]=4 853 B5R0.2 CCNCCO 2230a_100015525214_100000211926 [2,0,0,0,0,0|1,0,0]=3 854 B5R0.2 CCNCCO 2230a_100016997473_100000210202 [2,0,0,0,0,0|1,0,0]=3 855 B5R0.2 CCNCCO 34a_100016990907_100000210202 [2,0,0,0,0,0|1,0,0]=3 856 B5R0.2 CCOCCBr 34a_100000211926_100000210202 [2,0,0,0,0,0|2,0,0]=4 857 B5R0.2 CCOCCF 34a_100121572206_100011217306 [2,0,0,0,0,0|2,0,0]=4 858 B5R0.2 CCOCCN 34a_100000210304_100000210202 [2,0,0,0,0,0|2,0,0]=4 859 B5R0.2 CCOCCO 34a_100121572206_100000211926 [2,0,0,0,0,0|1,0,0]=3 860 B5R0.2 CCSCCF 62a_100000210202_100011217306 [2,0,0,0,0,0|2,0,0]=4 861 B5R0.2 CCSCCF 62a_100011217306_100000210202 [2,0,0,0,0,0|2,0,0]=4 862 B5R0.2 CCSCCO 62a_100000210202_100000211926 [2,0,0,0,0,0|1,0,0]=3 863 B5R0.2 CCSCCO 62a_100000211926_100000210202 [2,0,0,0,0,0|1,0,0]=3 864 B5R0.2 CNCCCF 2230a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 865 B5R0.2 CNCCCF 2230a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 866 B5R0.2 CNCCCF 34a_100015189416_200000210301 [2,0,0,0,0,0|2,0,0]=4 867 B5R0.2 CNCCCF 34a_100102657272_100011934791 [2,0,0,0,0,0|2,0,0]=4 868 B5R0.2 CNCCCF 7a_106832991635_100011934791 [2,0,0,0,0,0|2,0,0]=4 869 B5R0.2 CNCCCO 2230a_106832991635_100000230001 [2,0,0,0,0,0|1,0,0]=3 870 B5R0.2 CNCCCO 34a_100102657272_100000230001 [2,0,0,0,0,0|1,0,0]=3 871 B5R0.2 CNCCCO 7a_106832991635_100011215043 [2,0,0,0,0,0|1,0,0]=3 872 B5R0.2 COCCCBr 34a_100011217188_200000210301 [2,0,0,0,0,0|2,0,0]=4 873 B5R0.2 COCCCCl 34a_100000230001_200000210301 [2,0,0,0,0,0|2,0,0]=4 874 B5R0.2 COCCCF 34a_100000759539_200000210301 [2,0,0,0,0,0|2,0,0]=4 875 B5R0.2 COCCCF 34a_100138415774_100011934791 [2,0,0,0,0,0|2,0,0]=4 876 B5R0.2 COCCCN 34a_100000182051_200000210301 [2,0,0,0,0,0|2,0,0]=4 877 B5R0.2 COCCCO 34a_100138415774_100000230001 [2,0,0,0,0,0|1,0,0]=3 878 B5R0.2 CSCCCF 62a_100011934791_200000210301 [2,0,0,0,0,0|2,0,0]=4 879 B5R0.2 CSCCCF 62a_200000210301_100011934791 [2,0,0,0,0,0|2,0,0]=4 880 B5R0.2 CSCCCO 62a_100011215043_200000210301 [2,0,0,0,0,0|1,0,0]=3 881 B5R0.2 CSCCCO 62a_200000210301_100011215043 [2,0,0,0,0,0|1,0,0]=3 882 B5R0.2 OCCNCF 34a_100016990907_100015361967 [2,0,0,0,0,0|2,0,0]=4 883 B5R0.2 OCCSCF 62a_100000211926_100015361967 [2,0,0,0,0,0|2,0,0]=4 884 B5R0.2 OCCSCF 62a_100015361967_100000211926 [2,0,0,0,0,0|2,0,0]=4 885 B5R0.2 [13CH3]NCCCF 2230a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 886 B5R0.2 [13CH3]NCCCF 34a_100015189416_200025704644 [2,0,0,0,0,0|2,0,0]=4 887 B5R0.2 [13CH3]OCCCBr 34a_100011217188_200025704644 [2,0,0,0,0,0|2,0,0]=4 888 B5R0.2 [13CH3]OCCCCl 34a_100000230001_200025704644 [2,0,0,0,0,0|2,0,0]=4 889 B5R0.2 [13CH3]OCCCF 34a_100000759539_200025704644 [2,0,0,0,0,0|2,0,0]=4 890 B5R0.2 [13CH3]OCCCN 34a_100000182051_200025704644 [2,0,0,0,0,0|2,0,0]=4 891 B5R0.2 [13CH3]SCCCF 62a_100011934791_200025704644 [2,0,0,0,0,0|2,0,0]=4 892 B5R0.2 [13CH3]SCCCF 62a_200025704644_100011934791 [2,0,0,0,0,0|2,0,0]=4 893 B5R0.2 [13CH3]SCCCO 62a_100011215043_200025704644 [2,0,0,0,0,0|1,0,0]=3 894 B5R0.2 [13CH3]SCCCO 62a_200025704644_100011215043 [2,0,0,0,0,0|1,0,0]=3 895 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [2,0,0,0,0,0|2,0,0]=4 896 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [2,0,0,0,0,0|2,0,0]=4 897 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [2,0,0,0,0,0|2,0,0]=4 898 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,0]=3 899 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|0,1,1]=4 900 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,1,1]=4 901 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|2,0,0]=4 902 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 903 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|2,0,0]=4 904 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 905 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|2,0,0]=4 906 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 907 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 908 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 909 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|2,0,0]=4 910 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|2,0,0]=4 911 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|2,0,0]=4 912 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|2,0,0]=4 913 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [2,0,0,0,0,0|2,0,0]=4 914 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 915 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [2,0,0,0,0,0|2,0,0]=4 916 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [2,0,0,0,0,0|2,0,0]=4 917 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [2,0,0,0,0,0|2,0,0]=4 918 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [2,0,0,0,0,0|2,0,0]=4 919 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 920 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [2,0,0,0,0,0|2,0,0]=4 921 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [2,0,0,0,0,0|2,0,0]=4 922 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,0]=3 923 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,0]=3 924 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,0]=3 925 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,0]=3 926 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [2,0,0,0,0,0|2,0,0]=4 927 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [2,0,0,0,0,0|2,0,0]=4 928 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [2,0,0,0,0,0|2,0,0]=4 929 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,0]=3 930 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,0]=3 931 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,0]=3 932 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,0]=3 933 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,0]=3 934 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,0]=3 935 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,0]=3 936 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|0,1,1]=4 937 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|0,1,1]=4 938 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,1,1]=4 939 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,1,1]=4 940 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|0,1,1]=4 941 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [2,0,0,0,0,0|2,0,0]=4 942 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [2,0,0,0,0,0|2,0,0]=4 943 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [2,0,0,0,0,0|2,0,0]=4 944 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [2,0,0,0,0,0|2,0,0]=4 945 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,1,1]=4 946 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,1,1]=4 947 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|0,0,1]=3 948 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|1,0,1]=4 949 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|1,0,1]=4 950 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,1]=4 951 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [1,1,0,0,0,0|2,0,0]=4 952 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 953 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [1,1,0,0,0,0|2,0,0]=4 954 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [1,1,0,0,0,0|2,0,0]=4 955 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [1,1,0,0,0,0|2,0,0]=4 956 B7R0.2 CC(C)CN(C)CF 269982a_100000747067_100015361967 [1,1,0,0,0,0|2,0,0]=4 957 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [1,1,0,0,0,0|1,0,0]=3 959 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [1,1,0,0,0,0|1,0,0]=3 960 B7R0.2 CC(C)OC(C)CF 34a_100016041109_100000210206 [1,1,0,0,0,0|2,0,0]=4 961 B7R0.2 CC(C)OC(C)CF 7a_100016041109_100000210206 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.2 CC(C)OC(C)CN 34a_100000210904_100000210206 [1,1,0,0,0,0|2,0,0]=4 963 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [1,1,0,0,0,0|1,0,0]=3 965 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [1,1,0,0,0,0|1,0,0]=3 966 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [1,1,0,0,0,0|1,0,0]=3 967 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.2 CC(O)CN(C)CF 269982a_100000227577_100015361967 [1,1,0,0,0,0|2,0,0]=4 969 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|0,1,1]=4 970 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|0,1,1]=4 971 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,1]=4 972 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 975 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 976 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [1,1,0,0,0,0|2,0,0]=4 979 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [1,1,0,0,0,0|2,0,0]=4 981 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [1,1,0,0,0,0|2,0,0]=4 982 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [1,1,0,0,0,0|2,0,0]=4 983 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [1,1,0,0,0,0|2,0,0]=4 985 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [1,1,0,0,0,0|2,0,0]=4 986 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [1,1,0,0,0,0|2,0,0]=4 987 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [1,1,0,0,0,0|2,0,0]=4 988 B7R0.2 CCN(C)CC(C)C 2230a_100000225621_100000210760 [1,1,0,0,0,0|2,0,0]=4 989 B7R0.2 CCN(C)CC(C)C 2230a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 990 B7R0.2 CCN(C)CC(C)C 2230a_100000747067_100000210202 [1,1,0,0,0,0|2,0,0]=4 991 B7R0.2 CCN(C)CC(C)C 269982a_100000225621_100000210624 [1,1,0,0,0,0|2,0,0]=4 992 B7R0.2 CCN(C)CC(C)C 269982a_100000738554_200000210301 [1,1,0,0,0,0|2,0,0]=4 993 B7R0.2 CCN(C)CC(C)C 269982a_100000747067_100000204670 [1,1,0,0,0,0|2,0,0]=4 994 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 995 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [1,1,0,0,0,0|2,0,0]=4 996 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [1,1,0,0,0,0|2,0,0]=4 997 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [1,1,0,0,0,0|2,0,0]=4 998 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 999 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1001 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [1,1,0,0,0,0|2,0,0]=4 1002 B7R0.2 CCN([13CH3])CC(C)C 2230a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1003 B7R0.2 CCN([13CH3])CC(C)C 269982a_100000738554_200025704644 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1005 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,1]=4 1007 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [1,1,0,0,0,0|2,0,0]=4 1009 B7R0.2 CN(C)CC(O)CO 2230a_100011216503_200000210301 [1,1,0,0,0,0|2,0,0]=4 1010 B7R0.2 CN(C)CC(O)CO 2230a_100102631434_100011219619 [1,1,0,0,0,0|2,0,0]=4 1011 B7R0.2 CN(C)CC(O)CO 269982a_100011216503_200000210301 [1,1,0,0,0,0|2,0,0]=4 1012 B7R0.2 CN(C)C[C@@H](O)CO 2230a_100102631434_100009815848 [1,1,0,0,0,0|2,0,0]=4 1013 B7R0.2 CN([13CH3])CC(O)CO 2230a_100011216503_200025704644 [1,1,0,0,0,0|2,0,0]=4 1014 B7R0.2 CN([13CH3])CC(O)CO 269982a_100011216503_200025704644 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [1,1,0,0,0,0|2,0,0]=4 1016 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [1,1,0,0,0,0|2,0,0]=4 1021 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [1,1,0,0,0,0|2,0,0]=4 1022 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [1,1,0,0,0,0|2,0,0]=4 1023 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [1,1,0,0,0,0|1,0,0]=3 1025 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [1,1,0,0,0,0|1,0,0]=3 1026 B7R0.3 C#CC(C)NCCC 2230a_100000707721_100000210303 [1,1,0,0,0,0|1,0,1]=4 1027 B7R0.3 C#CC(C)NCCC 34a_100000707721_100000210303 [1,1,0,0,0,0|1,0,1]=4 1028 B7R0.3 C#CC(C)OCCC 34a_100000210258_200000035995 [1,1,0,0,0,0|1,0,1]=4 1029 B7R0.3 C#CC(C)SCCC 62a_200000035995_100000210303 [1,1,0,0,0,0|1,0,1]=4 1030 B7R0.3 C#CCNC(C)CO 34a_100000212058_100012180447 [1,1,0,0,0,0|0,0,2]=4 1031 B7R0.3 C#CCN[C@H](C)CO 2230a_100000737577_100000038162 [1,1,0,0,0,0|0,0,2]=4 1032 B7R0.3 C#CCOC(C)CO 34a_100000210247_100012180447 [1,1,0,0,0,0|0,0,2]=4 1033 B7R0.3 C#CCS[C@H](C)CO 62a_100000038162_100016084084 [1,1,0,0,0,0|0,0,2]=4 1034 B7R0.3 C#C[C@@H](C)OCCC 34a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1035 B7R0.3 C#C[C@@H](C)OCCC 7a_100009815206_100000210303 [1,1,0,0,0,0|1,0,1]=4 1036 B7R0.3 C=CC(C)COCC 34a_100011215527_100000210202 [1,1,0,0,0,0|1,0,1]=4 1037 B7R0.3 C=CC(C)COCC 7a_100011215527_100000210202 [1,1,0,0,0,0|1,0,1]=4 1038 B7R0.3 C=CC(C)OCCC 34a_100000695699_100000210303 [1,1,0,0,0,0|1,0,1]=4 1039 B7R0.3 C=CC(C)SCCC 62a_100011215867_100000210303 [1,1,0,0,0,0|1,0,1]=4 1040 B7R0.3 C=CCNC(C)CO 2230a_100020586998_100012180447 [1,1,0,0,0,0|0,0,2]=4 1041 B7R0.3 C=CCN[C@H](C)CO 2230a_100000737577_100000210623 [1,1,0,0,0,0|0,0,2]=4 1042 B7R0.3 C=CCOC(C)CO 34a_200000210373_100012180447 [1,1,0,0,0,0|0,0,2]=4 1043 B7R0.3 C=CCSC(C)CO 62a_100012180447_100000210623 [1,1,0,0,0,0|0,0,2]=4 1044 B7R0.3 C=CCS[C@H](C)CO 62a_100000210623_100016084084 [1,1,0,0,0,0|0,0,2]=4 1045 B7R0.3 C=CCS[C@H](C)CO 62a_100016084084_100000210623 [1,1,0,0,0,0|0,0,2]=4 1046 B7R0.3 CC(CCCCl)O[13CH3] 34a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.3 CC(CCCCl)O[13CH3] 7a_200000718107_200025704644 [1,1,0,0,0,0|2,0,0]=4 1048 B7R0.3 CC(CF)OCCF 34a_100016041109_100011217306 [1,1,0,0,0,0|2,0,0]=4 1049 B7R0.3 CC(CF)OCCF 7a_100016041109_100011217306 [1,1,0,0,0,0|2,0,0]=4 1050 B7R0.3 CC(CF)OCCO 34a_100016041109_100000211926 [1,1,0,0,0,0|2,0,0]=4 1051 B7R0.3 CC(CF)OCCO 7a_100016041109_100000211926 [1,1,0,0,0,0|2,0,0]=4 1052 B7R0.3 CC(CN)COCF 34a_100000744482_100015361967 [1,1,0,0,0,0|2,0,0]=4 1053 B7R0.3 CC(CN)OCCF 34a_100000210904_100011217306 [1,1,0,0,0,0|2,0,0]=4 1054 B7R0.3 CC(CN)OCCO 34a_100000210904_100000211926 [1,1,0,0,0,0|2,0,0]=4 1055 B7R0.3 CC(CO)CCN[13CH3] 2230a_106354213184_200025704644 [1,1,0,0,0,0|0,0,0]=2 1056 B7R0.3 CC(CO)CCN[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|0,0,0]=2 1057 B7R0.3 CC(CO)CNCF 34a_100000744482_100015361967 [1,1,0,0,0,0|1,0,0]=3 1058 B7R0.3 CC(CO)NCCF 34a_100000724931_100012180447 [1,1,0,0,0,0|1,0,0]=3 1059 B7R0.3 CC(CO)NCCO 2230a_100016997473_100012180447 [1,1,0,0,0,0|1,0,0]=3 1060 B7R0.3 CC(CO)NCCO 34a_100016990907_100012180447 [1,1,0,0,0,0|1,0,0]=3 1061 B7R0.3 CC(CO)OCCBr 34a_100000211926_100012180447 [1,1,0,0,0,0|1,0,0]=3 1062 B7R0.3 CC(CO)OCCN 34a_100000210304_100012180447 [1,1,0,0,0,0|1,0,0]=3 1063 B7R0.3 CC(CO)SCC#N 62a_100012180447_100011215382 [1,1,0,0,0,0|1,0,1]=4 1064 B7R0.3 CC(CO)SCC=O 62a_100012180447_200015260668 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.3 CC(CO)SCCF 62a_100012180447_100011217306 [1,1,0,0,0,0|1,0,0]=3 1066 B7R0.3 CC(CO)SCCO 62a_100012180447_100000211926 [1,1,0,0,0,0|1,0,0]=3 1067 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,1,0,0,0,0|0,1,1]=4 1068 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,1,0,0,0,0|0,1,1]=4 1069 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,1,0,0,0,0|0,1,1]=4 1070 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,1,0,0,0,0|0,1,1]=4 1071 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,1,0,0,0,0|0,1,1]=4 1072 B7R0.3 CCC(C)CCNC 2230a_100020591266_200000210301 [1,1,0,0,0,0|1,0,0]=3 1073 B7R0.3 CCC(C)CCN[13CH3] 2230a_100020591266_200025704644 [1,1,0,0,0,0|1,0,0]=3 1074 B7R0.3 CCC(C)CCOC 7a_100011215188_200000210301 [1,1,0,0,0,0|1,0,0]=3 1075 B7R0.3 CCC(C)CCO[13CH3] 7a_100011215188_200025704644 [1,1,0,0,0,0|1,0,0]=3 1076 B7R0.3 CCC(C)CSCF 62a_100000748023_100015361967 [1,1,0,0,0,0|2,0,0]=4 1077 B7R0.3 CCC(C)CSCF 62a_100015361967_100000748023 [1,1,0,0,0,0|2,0,0]=4 1078 B7R0.3 CCC(C)NCCF 2230a_100000209981_100011217306 [1,1,0,0,0,0|2,0,0]=4 1079 B7R0.3 CCC(C)NCCF 34a_100000724931_100011215416 [1,1,0,0,0,0|2,0,0]=4 1080 B7R0.3 CCC(C)NCCO 2230a_100000209981_100000211926 [1,1,0,0,0,0|1,0,0]=3 1081 B7R0.3 CCC(C)NCCO 2230a_100016997473_100000758301 [1,1,0,0,0,0|1,0,0]=3 1082 B7R0.3 CCC(C)NCCO 34a_100016990907_100011215416 [1,1,0,0,0,0|1,0,0]=3 1083 B7R0.3 CCC(C)NCOC 2230a_100000209981_100000766300 [1,1,0,0,0,0|2,0,0]=4 1084 B7R0.3 CCC(C)NCSC 2230a_100000209981_100011218213 [1,1,0,0,0,0|2,0,0]=4 1085 B7R0.3 CCC(C)OCCBr 34a_100000211926_100011215416 [1,1,0,0,0,0|2,0,0]=4 1086 B7R0.3 CCC(C)OCCF 7a_100000210228_100011217306 [1,1,0,0,0,0|2,0,0]=4 1087 B7R0.3 CCC(C)OCCN 34a_100000210304_100011215416 [1,1,0,0,0,0|2,0,0]=4 1088 B7R0.3 CCC(C)OCCO 7a_100000210228_100000211926 [1,1,0,0,0,0|1,0,0]=3 1089 B7R0.3 CCC(C)SCCF 62a_100000758301_100011217306 [1,1,0,0,0,0|2,0,0]=4 1090 B7R0.3 CCC(C)SCCF 62a_100011217306_100000758301 [1,1,0,0,0,0|2,0,0]=4 1091 B7R0.3 CCC(C)SCCO 62a_100000211926_100000758301 [1,1,0,0,0,0|1,0,0]=3 1092 B7R0.3 CCC(C)SCCO 62a_100000758301_100000211926 [1,1,0,0,0,0|1,0,0]=3 1093 B7R0.3 CCC(C)SCOC 62a_100000758301_100000766300 [1,1,0,0,0,0|2,0,0]=4 1094 B7R0.3 CCC(C)SCOC 62a_100000766300_100000758301 [1,1,0,0,0,0|2,0,0]=4 1095 B7R0.3 CCC(C)SCSC 62a_100000758301_100011218213 [1,1,0,0,0,0|2,0,0]=4 1096 B7R0.3 CCC(C)SCSC 62a_100011218213_100000758301 [1,1,0,0,0,0|2,0,0]=4 1097 B7R0.3 CCC(O)CSCF 62a_100011218378_100015361967 [1,1,0,0,0,0|1,1,0]=4 1098 B7R0.3 CCC(O)CSCF 62a_100015361967_100011218378 [1,1,0,0,0,0|1,1,0]=4 1099 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,1,0,0,0,0|1,0,1]=4 1100 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,1,0,0,0,0|2,0,0]=4 1101 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1102 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,1,0,0,0,0|2,0,0]=4 1103 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,1,0,0,0,0|2,0,0]=4 1104 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,1,0,0,0,0|2,0,0]=4 1105 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,1,0,0,0,0|2,0,0]=4 1106 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1107 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,1,0,0,0,0|2,0,0]=4 1108 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,1,0,0,0,0|2,0,0]=4 1109 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1110 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,1,0,0,0,0|2,0,0]=4 1111 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,1,0,0,0,0|2,0,0]=4 1112 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,1,0,0,0,0|2,0,0]=4 1113 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,1,0,0,0,0|2,0,0]=4 1114 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,1,0,0,0,0|2,0,0]=4 1115 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,1,0,0,0,0|2,0,0]=4 1116 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1117 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 1118 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,1,0,0,0,0|2,0,0]=4 1119 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,1,0,0,0,0|2,0,0]=4 1120 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,1,0,0,0,0|2,0,0]=4 1121 B7R0.3 CCCCN(C)CF 269982a_100000207549_100015361967 [1,1,0,0,0,0|2,0,0]=4 1122 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1123 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,1,0,0,0,0|2,0,0]=4 1124 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 1125 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,1,0,0,0,0|1,0,1]=4 1126 B7R0.3 CCCNC(C)C#N 2230a_100000737613_100000210303 [1,1,0,0,0,0|1,0,1]=4 1127 B7R0.3 CCCNC(C)CC 2230a_100000209981_100000210303 [1,1,0,0,0,0|1,0,0]=3 1128 B7R0.3 CCCN[C@H](C)CO 2230a_100000737577_100000210303 [1,1,0,0,0,0|0,0,0]=2 1129 B7R0.3 CCCOC(C)C#N 34a_100011218135_100000210303 [1,1,0,0,0,0|1,0,1]=4 1130 B7R0.3 CCCOC(C)CC 34a_100000210258_100011215416 [1,1,0,0,0,0|1,0,0]=3 1131 B7R0.3 CCCOC(C)CC 7a_100000210228_100000210303 [1,1,0,0,0,0|1,0,0]=3 1132 B7R0.3 CCCOC(C)CF 34a_100016041109_100000210303 [1,1,0,0,0,0|1,0,0]=3 1133 B7R0.3 CCCOC(C)CF 7a_100016041109_100000210303 [1,1,0,0,0,0|1,0,0]=3 1134 B7R0.3 CCCOC(C)CN 34a_100000210904_100000210303 [1,1,0,0,0,0|1,0,0]=3 1135 B7R0.3 CCCOC(C)CO 34a_100000210258_100012180447 [1,1,0,0,0,0|0,0,0]=2 1136 B7R0.3 CCCSC(C)C#N 62a_100000210303_100000703298 [1,1,0,0,0,0|1,0,1]=4 1137 B7R0.3 CCCSC(C)C#N 62a_100000703298_100000210303 [1,1,0,0,0,0|1,0,1]=4 1138 B7R0.3 CCCSC(C)CC 62a_100000210303_100000758301 [1,1,0,0,0,0|1,0,0]=3 1139 B7R0.3 CCCSC(C)CC 62a_100000758301_100000210303 [1,1,0,0,0,0|1,0,0]=3 1140 B7R0.3 CCCSC(C)CO 62a_100012180447_100000210303 [1,1,0,0,0,0|0,0,0]=2 1141 B7R0.3 CCCSC(C)OC 62a_100000210303_100009879195 [1,1,0,0,0,0|2,0,0]=4 1142 B7R0.3 CCCSC(C)OC 62a_100009879195_100000210303 [1,1,0,0,0,0|2,0,0]=4 1143 B7R0.3 CCCS[C@H](C)CO 62a_100000210303_100016084084 [1,1,0,0,0,0|0,0,0]=2 1144 B7R0.3 CCCS[C@H](C)CO 62a_100016084084_100000210303 [1,1,0,0,0,0|0,0,0]=2 1145 B7R0.3 CCN(C)CCCF 2230a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 1146 B7R0.3 CCN(C)CCCF 269982a_100000225621_100011934791 [1,1,0,0,0,0|2,0,0]=4 1147 B7R0.3 CCN(C)CCCO 2230a_100000213112_100000210202 [1,1,0,0,0,0|2,0,0]=4 1148 B7R0.3 CCN(C)CCCO 2230a_100000225621_100000230001 [1,1,0,0,0,0|2,0,0]=4 1149 B7R0.3 CCN(C)CCCO 269982a_100000213112_100000204670 [1,1,0,0,0,0|2,0,0]=4 1150 B7R0.3 CCN(C)CCCO 269982a_100000225621_100011215043 [1,1,0,0,0,0|2,0,0]=4 1151 B7R0.3 CCN(C)CCOC 2230a_100000225621_100011201679 [1,1,0,0,0,0|2,0,0]=4 1152 B7R0.3 CCN(C)CCOC 2230a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1153 B7R0.3 CCN(C)CCOC 2230a_100000743101_100000210202 [1,1,0,0,0,0|2,0,0]=4 1154 B7R0.3 CCN(C)CCOC 269982a_100000225621_100000233755 [1,1,0,0,0,0|2,0,0]=4 1155 B7R0.3 CCN(C)CCOC 269982a_100000731262_200000210301 [1,1,0,0,0,0|2,0,0]=4 1156 B7R0.3 CCN(C)CCOC 269982a_100000743101_100000204670 [1,1,0,0,0,0|2,0,0]=4 1157 B7R0.3 CCN(C)CCSC 2230a_100000225621_100000751147 [1,1,0,0,0,0|2,0,0]=4 1158 B7R0.3 CCN(C)CCSC 2230a_100000686725_100000210202 [1,1,0,0,0,0|2,0,0]=4 1159 B7R0.3 CCN(C)CCSC 269982a_100000225621_100000212216 [1,1,0,0,0,0|2,0,0]=4 1160 B7R0.3 CCN(C)CCSC 269982a_100000686725_100000204670 [1,1,0,0,0,0|2,0,0]=4 1161 B7R0.3 CCN([13CH3])CCOC 2230a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1162 B7R0.3 CCN([13CH3])CCOC 269982a_100000731262_200025704644 [1,1,0,0,0,0|2,0,0]=4 1163 B7R0.3 CCNCC(C)CC 2230a_100015525214_100000748023 [1,1,0,0,0,0|1,0,0]=3 1164 B7R0.3 CCNCC(C)CC 2230a_100020588543_100000210202 [1,1,0,0,0,0|1,0,0]=3 1165 B7R0.3 CCNCC(C)CC 270004a_100015525214_100000243153 [1,1,0,0,0,0|1,0,0]=3 1166 B7R0.3 CCNCC(C)CO 34a_100000744482_100000210202 [1,1,0,0,0,0|0,0,0]=2 1167 B7R0.3 CCNCC(O)CC 2230a_100011218483_100000210202 [1,1,0,0,0,0|1,1,0]=4 1168 B7R0.3 CCNCC(O)CC 2230a_100015525214_100011218378 [1,1,0,0,0,0|1,1,0]=4 1169 B7R0.3 CCNCC(O)CO 2230a_100015525214_100011219619 [1,1,0,0,0,0|1,0,0]=3 1170 B7R0.3 CCNC[C@@H](C)CC 2230a_100015525214_100009816398 [1,1,0,0,0,0|1,0,0]=3 1171 B7R0.3 CCNC[C@@H](C)CO 2230a_100015525214_100000059175 [1,1,0,0,0,0|0,0,0]=2 1172 B7R0.3 CCNC[C@@H](C)OC 2230a_100020591295_100000210202 [1,1,0,0,0,0|2,0,0]=4 1173 B7R0.3 CCNC[C@@H](F)CO 34a_100015665980_100000210202 [1,1,0,0,0,0|1,0,0]=3 1174 B7R0.3 CCNC[C@@H](O)CF 2230a_100015525214_100015614560 [1,1,0,0,0,0|2,0,0]=4 1175 B7R0.3 CCNC[C@@H](O)CO 2230a_100015525214_100009815848 [1,1,0,0,0,0|1,0,0]=3 1176 B7R0.3 CCNC[C@H](O)CO 2230a_100020644852_100000210202 [1,1,0,0,0,0|1,0,0]=3 1177 B7R0.3 CCNN=C(C)CO 4a_100000756455_100000211253 [1,1,0,0,0,0|1,0,1]=4 1178 B7R0.3 CCOCC(C)CC 34a_100121572206_100000748023 [1,1,0,0,0,0|1,0,0]=3 1179 B7R0.3 CCOCC(C)CN 34a_100000744482_100000210202 [1,1,0,0,0,0|1,0,0]=3 1180 B7R0.3 CCOCC(C)OC 34a_100000690652_100000210202 [1,1,0,0,0,0|2,0,0]=4 1181 B7R0.3 CCOCC(C)OC 34a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1182 B7R0.3 CCOCC(C)OC 7a_100000718985_200000210301 [1,1,0,0,0,0|2,0,0]=4 1183 B7R0.3 CCOCC(C)O[13CH3] 34a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1184 B7R0.3 CCOCC(C)O[13CH3] 7a_100000718985_200025704644 [1,1,0,0,0,0|2,0,0]=4 1185 B7R0.3 CCOCC(Cl)CCl 34a_100000033668_100000210202 [1,1,0,0,0,0|2,0,0]=4 1186 B7R0.3 CCOCC(O)CC 34a_100121572206_100011218378 [1,1,0,0,0,0|1,1,0]=4 1187 B7R0.3 CCOCC(O)CO 34a_100121572206_100011219619 [1,1,0,0,0,0|1,0,0]=3 1188 B7R0.3 CCOCN(C)CC 269982a_100000225621_100000739092 [1,1,0,0,0,0|2,0,0]=4 1189 B7R0.3 CCOC[C@@H](C)CC 34a_100121572206_100009816398 [1,1,0,0,0,0|1,0,0]=3 1190 B7R0.3 CCOC[C@@H](C)CC 7a_100009816381_100000210202 [1,1,0,0,0,0|1,0,0]=3 1191 B7R0.3 CCOC[C@@H](C)CO 34a_100121572206_100000059175 [1,1,0,0,0,0|0,0,0]=2 1192 B7R0.3 CCOC[C@@H](O)CF 34a_100121572206_100015614560 [1,1,0,0,0,0|2,0,0]=4 1193 B7R0.3 CCOC[C@@H](O)CO 34a_100121572206_100009815848 [1,1,0,0,0,0|1,0,0]=3 1194 B7R0.3 CCOC[C@H](F)CN 34a_100015665980_100000210202 [1,1,0,0,0,0|2,0,0]=4 1195 B7R0.3 CCSCC(C)CC 62a_100000210202_100000748023 [1,1,0,0,0,0|1,0,0]=3 1196 B7R0.3 CCSCC(C)CC 62a_100000748023_100000210202 [1,1,0,0,0,0|1,0,0]=3 1197 B7R0.3 CCSCC(C)NC 270004a_106832991635_200011216171 [1,1,0,0,0,0|2,0,0]=4 1198 B7R0.3 CCSCC(O)CC 62a_100000210202_100011218378 [1,1,0,0,0,0|1,1,0]=4 1199 B7R0.3 CCSCC(O)CC 62a_100011218378_100000210202 [1,1,0,0,0,0|1,1,0]=4 1200 B7R0.3 CCSCC(O)CO 62a_100000210202_100011219619 [1,1,0,0,0,0|1,0,0]=3 1201 B7R0.3 CCSCC(O)CO 62a_100011219619_100000210202 [1,1,0,0,0,0|1,0,0]=3 1202 B7R0.3 CCSC[C@@H](C)CC 62a_100000210202_100009816398 [1,1,0,0,0,0|1,0,0]=3 1203 B7R0.3 CCSC[C@@H](C)CC 62a_100009816398_100000210202 [1,1,0,0,0,0|1,0,0]=3 1204 B7R0.3 CCSC[C@@H](C)CO 62a_100000059175_100000210202 [1,1,0,0,0,0|0,0,0]=2 1205 B7R0.3 CCSC[C@@H](C)CO 62a_100000210202_100000059175 [1,1,0,0,0,0|0,0,0]=2 1206 B7R0.3 CCSC[C@@H](O)CF 62a_100000210202_100015614560 [1,1,0,0,0,0|2,0,0]=4 1207 B7R0.3 CCSC[C@@H](O)CF 62a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 1208 B7R0.3 CCSC[C@@H](O)CO 62a_100000210202_100009815848 [1,1,0,0,0,0|1,0,0]=3 1209 B7R0.3 CCSC[C@@H](O)CO 62a_100009815848_100000210202 [1,1,0,0,0,0|1,0,0]=3 1210 B7R0.3 CC[C@H](C)COCF 7a_100009816381_100015361967 [1,1,0,0,0,0|2,0,0]=4 1211 B7R0.3 CC[C@H](C)CSCF 62a_100009816398_100015361967 [1,1,0,0,0,0|2,0,0]=4 1212 B7R0.3 CC[C@H](C)CSCF 62a_100015361967_100009816398 [1,1,0,0,0,0|2,0,0]=4 1213 B7R0.3 CN(CF)CCCO 269982a_100000213112_100015361967 [1,1,0,0,0,0|2,0,0]=4 1214 B7R0.3 CNC(C)CCOC 270004a_106832991635_100000742357 [1,1,0,0,0,0|2,0,0]=4 1215 B7R0.3 CNC(C)CCSC 270004a_106832991635_100011217047 [1,1,0,0,0,0|2,0,0]=4 1216 B7R0.3 CNCCC(C)CO 2230a_106354213184_200000210301 [1,1,0,0,0,0|0,0,0]=2 1217 B7R0.3 CNCCC(C)CO 34a_106354213184_200000210301 [1,1,0,0,0,0|0,0,0]=2 1218 B7R0.3 COC(C)CCCCl 34a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1219 B7R0.3 COC(C)CCCCl 7a_200000718107_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B7R0.3 COC(C)CCO[13CH3] 7a_100000764861_200025704644 [1,1,0,0,0,0|2,0,0]=4 1221 B7R0.3 COC(C)SCCO 62a_100000211926_100009879195 [1,1,0,0,0,0|2,0,0]=4 1222 B7R0.3 COC(C)SCCO 62a_100009879195_100000211926 [1,1,0,0,0,0|2,0,0]=4 1223 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,1,0,0,0,0|1,0,1]=4 1224 B7R0.3 COCCC(C)OC 7a_100000764861_200000210301 [1,1,0,0,0,0|2,0,0]=4 1225 B7R0.3 COCCN(C)CF 269982a_100000743101_100015361967 [1,1,0,0,0,0|2,0,0]=4 1226 B7R0.3 COCN[C@H](C)CO 2230a_100000737577_100000766300 [1,1,0,0,0,0|1,0,0]=3 1227 B7R0.3 COCSC(C)CO 62a_100012180447_100000766300 [1,1,0,0,0,0|1,0,0]=3 1228 B7R0.3 COCS[C@H](C)CO 62a_100000766300_100016084084 [1,1,0,0,0,0|1,0,0]=3 1229 B7R0.3 COCS[C@H](C)CO 62a_100016084084_100000766300 [1,1,0,0,0,0|1,0,0]=3 1230 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,1,0,0,0,0|1,0,1]=4 1231 B7R0.3 CSCCN(C)CF 269982a_100000686725_100015361967 [1,1,0,0,0,0|2,0,0]=4 1232 B7R0.3 CSCN[C@H](C)CO 2230a_100000737577_100011218213 [1,1,0,0,0,0|1,0,0]=3 1233 B7R0.3 CSCOC(C)CF 34a_100016041109_100011218213 [1,1,0,0,0,0|2,0,0]=4 1234 B7R0.3 CSCOC(C)CN 34a_100000210904_100011218213 [1,1,0,0,0,0|2,0,0]=4 1235 B7R0.3 CSCSC(C)CO 62a_100012180447_100011218213 [1,1,0,0,0,0|1,0,0]=3 1236 B7R0.3 CSCS[C@H](C)CO 62a_100011218213_100016084084 [1,1,0,0,0,0|1,0,0]=3 1237 B7R0.3 CSCS[C@H](C)CO 62a_100016084084_100011218213 [1,1,0,0,0,0|1,0,0]=3 1238 B7R0.3 C[C@@H](CO)CSCF 62a_100000059175_100015361967 [1,1,0,0,0,0|1,0,0]=3 1239 B7R0.3 C[C@@H](CO)CSCF 62a_100015361967_100000059175 [1,1,0,0,0,0|1,0,0]=3 1240 B7R0.3 C[C@H](CO)NCC#N 2230a_100000737577_100011215382 [1,1,0,0,0,0|1,0,1]=4 1241 B7R0.3 C[C@H](CO)NCC=O 2230a_100000737577_200015260668 [1,1,0,0,0,0|1,0,1]=4 1242 B7R0.3 C[C@H](CO)NCCF 2230a_100000737577_100011217306 [1,1,0,0,0,0|1,0,0]=3 1243 B7R0.3 C[C@H](CO)NCCO 2230a_100000737577_100000211926 [1,1,0,0,0,0|1,0,0]=3 1244 B7R0.3 C[C@H](CO)SCC#N 62a_100011215382_100016084084 [1,1,0,0,0,0|1,0,1]=4 1245 B7R0.3 C[C@H](CO)SCC#N 62a_100016084084_100011215382 [1,1,0,0,0,0|1,0,1]=4 1246 B7R0.3 C[C@H](CO)SCC=O 62a_100016084084_200015260668 [1,1,0,0,0,0|1,0,1]=4 1247 B7R0.3 C[C@H](CO)SCC=O 62a_200015260668_100016084084 [1,1,0,0,0,0|1,0,1]=4 1248 B7R0.3 C[C@H](CO)SCCF 62a_100011217306_100016084084 [1,1,0,0,0,0|1,0,0]=3 1249 B7R0.3 C[C@H](CO)SCCF 62a_100016084084_100011217306 [1,1,0,0,0,0|1,0,0]=3 1250 B7R0.3 C[C@H](CO)SCCO 62a_100000211926_100016084084 [1,1,0,0,0,0|1,0,0]=3 1251 B7R0.3 C[C@H](CO)SCCO 62a_100016084084_100000211926 [1,1,0,0,0,0|1,0,0]=3 1252 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,1,0,0,0,0|1,0,1]=4 1253 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,1,0,0,0,0|1,0,1]=4 1254 B7R0.3 OCC(O)CSCF 62a_100011219619_100015361967 [1,1,0,0,0,0|2,0,0]=4 1255 B7R0.3 OCC(O)CSCF 62a_100015361967_100011219619 [1,1,0,0,0,0|2,0,0]=4 1256 B7R0.3 OC[C@H](F)CNCF 34a_100015665980_100015361967 [1,1,0,0,0,0|2,0,0]=4 1257 B7R0.3 OC[C@H](O)CSCF 62a_100009815848_100015361967 [1,1,0,0,0,0|2,0,0]=4 1258 B7R0.3 OC[C@H](O)CSCF 62a_100015361967_100009815848 [1,1,0,0,0,0|2,0,0]=4 1259 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|1,0,1]=4 1260 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,1,1]=4 1261 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,1,1]=4 1262 B7R0.5 CC(C)N(C)CCO 2230a_100000210263_100000210206 [1,1,0,0,0,0|2,0,0]=4 1263 B7R0.5 CC(C)N(C)CCO 2230a_100000224655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1264 B7R0.5 CC(C)N(C)CCO 269982a_100000210263_100000210206 [1,1,0,0,0,0|2,0,0]=4 1265 B7R0.5 CC(C)N(C)CCO 269982a_100000224655_200000210301 [1,1,0,0,0,0|2,0,0]=4 1266 B7R0.5 CC(C)N(C)CCO 269982a_200000211004_100000211926 [1,1,0,0,0,0|2,0,0]=4 1267 B7R0.5 CC(C)N([13CH3])CCO 2230a_100000224655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1268 B7R0.5 CC(C)N([13CH3])CCO 269982a_100000224655_200025704644 [1,1,0,0,0,0|2,0,0]=4 1269 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1270 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [1,1,0,0,0,0|2,0,0]=4 1271 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [1,1,0,0,0,0|2,0,0]=4 1272 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [1,1,0,0,0,0|2,0,0]=4 1273 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1274 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [1,1,0,0,0,0|2,0,0]=4 1275 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,1]=4 1276 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|0,1,1]=4 1277 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|1,0,1]=4 1278 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,1]=4 1279 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 1280 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|0,0,2]=4 1281 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|0,0,2]=4 1282 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|0,0,2]=4 1283 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 1284 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [1,1,0,0,0,0|2,0,0]=4 1285 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [1,1,0,0,0,0|2,0,0]=4 1286 B7R0.5 CCCN(C)C(C)C 2230a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 1287 B7R0.5 CCCN(C)C(C)C 2230a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1288 B7R0.5 CCCN(C)C(C)C 269982a_100000747261_100000210206 [1,1,0,0,0,0|2,0,0]=4 1289 B7R0.5 CCCN(C)C(C)C 269982a_106256033942_200000210301 [1,1,0,0,0,0|2,0,0]=4 1290 B7R0.5 CCCN(C)C(C)C 269982a_200000211004_100000210303 [1,1,0,0,0,0|2,0,0]=4 1291 B7R0.5 CCCN([13CH3])C(C)C 2230a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1292 B7R0.5 CCCN([13CH3])C(C)C 269982a_106256033942_200025704644 [1,1,0,0,0,0|2,0,0]=4 1293 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [1,1,0,0,0,0|2,0,0]=4 1294 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 1295 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [1,1,0,0,0,0|2,0,0]=4 1296 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,1]=4 1297 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|0,1,1]=4 1298 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|0,1,1]=4 1299 B7R0.7 C#CCC(C)OCC 34a_100000685586_100000210202 [1,1,0,0,0,0|2,0,0]=4 1300 B7R0.7 C#CCC(C)OCC 7a_100000685586_100000210202 [1,1,0,0,0,0|2,0,0]=4 1301 B7R0.7 C#CCN(C)CCC 2230a_100000225692_100000210303 [1,1,0,0,0,0|2,0,0]=4 1302 B7R0.7 C#CCN(C)CCC 2230a_100000747261_100000038162 [1,1,0,0,0,0|2,0,0]=4 1303 B7R0.7 C#CCN(C)CCC 34a_100000225692_100000210303 [1,1,0,0,0,0|2,0,0]=4 1304 B7R0.7 C=CCC(C)COC 34a_100009832082_200000210301 [1,1,0,0,0,0|0,0,2]=4 1305 B7R0.7 C=CCC(C)COC 7a_100009832082_200000210301 [1,1,0,0,0,0|0,0,2]=4 1306 B7R0.7 C=CCC(C)CO[13CH3] 34a_100009832082_200025704644 [1,1,0,0,0,0|0,0,2]=4 1307 B7R0.7 C=CCC(C)CO[13CH3] 7a_100009832082_200025704644 [1,1,0,0,0,0|0,0,2]=4 1308 B7R0.7 C=CCN(C)CCC 2230a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1309 B7R0.7 C=CCN(C)CCC 2230a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1310 B7R0.7 C=CCN(C)CCC 269982a_100000225617_100000210303 [1,1,0,0,0,0|2,0,0]=4 1311 B7R0.7 C=CCN(C)CCC 269982a_100000747261_100000210623 [1,1,0,0,0,0|2,0,0]=4 1312 B7R0.7 C=CC[C@@H](C)OCC 34a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1313 B7R0.7 C=CC[C@@H](C)OCC 7a_100000731007_100000210202 [1,1,0,0,0,0|2,0,0]=4 1314 B7R0.7 CC(CCBr)OCF 34a_100012276601_100015361967 [1,1,0,0,0,0|2,0,0]=4 1315 B7R0.7 CC(CCN)CO[13CH3] 34a_106354213184_200025704644 [1,1,0,0,0,0|1,0,0]=3 1316 B7R0.7 CC(CCO)SCF 62a_100009893172_100015361967 [1,1,0,0,0,0|2,0,0]=4 1317 B7R0.7 CC(CCO)SCF 62a_100015361967_100009893172 [1,1,0,0,0,0|2,0,0]=4 1318 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [1,1,0,0,0,0|0,1,1]=4 1319 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [1,1,0,0,0,0|0,1,1]=4 1320 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [1,1,0,0,0,0|1,0,1]=4 1321 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [1,1,0,0,0,0|1,0,0]=3 1322 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [1,1,0,0,0,0|1,0,0]=3 1323 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [1,1,0,0,0,0|1,0,0]=3 1324 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [1,1,0,0,0,0|1,0,0]=3 1325 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [1,1,0,0,0,0|0,0,0]=2 1326 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [1,1,0,0,0,0|0,0,0]=2 1327 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [1,1,0,0,0,0|0,0,0]=2 1328 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [1,1,0,0,0,0|0,0,0]=2 1329 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [1,1,0,0,0,0|0,0,0]=2 1330 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [1,1,0,0,0,0|0,1,0]=3 1331 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [1,1,0,0,0,0|0,1,0]=3 1332 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [1,1,0,0,0,0|0,1,0]=3 1333 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [1,1,0,0,0,0|0,1,0]=3 1334 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [1,1,0,0,0,0|1,0,0]=3 1335 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [1,1,0,0,0,0|1,0,0]=3 1336 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [1,1,0,0,0,0|1,0,0]=3 1337 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [1,1,0,0,0,0|1,0,0]=3 1338 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [1,1,0,0,0,0|1,0,0]=3 1339 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [1,1,0,0,0,0|1,0,0]=3 1340 B7R0.7 CCCC(C)OCF 34a_100000764384_100015361967 [1,1,0,0,0,0|1,0,0]=3 1341 B7R0.7 CCCC(C)OCF 7a_100000764384_100015361967 [1,1,0,0,0,0|1,0,0]=3 1342 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [1,1,0,0,0,0|1,0,0]=3 1343 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [1,1,0,0,0,0|1,0,0]=3 1344 B7R0.7 CCCC(C)SCF 62a_100000766640_100015361967 [1,1,0,0,0,0|1,0,0]=3 1345 B7R0.7 CCCC(C)SCF 62a_100015361967_100000766640 [1,1,0,0,0,0|1,0,0]=3 1346 B7R0.7 CCCN(C)CC#N 2230a_100000747261_100011215382 [1,1,0,0,0,0|2,0,0]=4 1347 B7R0.7 CCCN(C)CC#N 2230a_100000748184_100000210303 [1,1,0,0,0,0|2,0,0]=4 1348 B7R0.7 CCCN(C)CC#N 269982a_100000747261_100011214920 [1,1,0,0,0,0|2,0,0]=4 1349 B7R0.7 CCCN(C)CC=O 2230a_100000747261_200015260668 [1,1,0,0,0,0|1,0,1]=4 1350 B7R0.7 CCCN(C)CC=O 269982a_100000747261_200015260668 [1,1,0,0,0,0|1,0,1]=4 1351 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [1,1,0,0,0,0|2,0,0]=4 1352 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [1,1,0,0,0,0|2,0,0]=4 1353 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [1,1,0,0,0,0|2,0,0]=4 1354 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [1,1,0,0,0,0|2,0,0]=4 1355 B7R0.7 CCCN(C)CCF 2230a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 1356 B7R0.7 CCCN(C)CCF 269982a_100000747261_100011217306 [1,1,0,0,0,0|2,0,0]=4 1357 B7R0.7 CCCN(C)CCO 2230a_100000210263_100000210303 [1,1,0,0,0,0|1,0,0]=3 1358 B7R0.7 CCCN(C)CCO 2230a_100000211420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1359 B7R0.7 CCCN(C)CCO 2230a_100000747261_100000211926 [1,1,0,0,0,0|1,0,0]=3 1360 B7R0.7 CCCN(C)CCO 269982a_100000210263_100000210303 [1,1,0,0,0,0|1,0,0]=3 1361 B7R0.7 CCCN(C)CCO 269982a_100000211420_200000210301 [1,1,0,0,0,0|1,0,0]=3 1362 B7R0.7 CCCN(C)CCO 269982a_100000747261_100000211926 [1,1,0,0,0,0|1,0,0]=3 1363 B7R0.7 CCCN(C)COC 2230a_100000747261_100000766300 [1,1,0,0,0,0|1,0,0]=3 1364 B7R0.7 CCCN(C)COC 269982a_100000747261_100000766300 [1,1,0,0,0,0|1,0,0]=3 1365 B7R0.7 CCCN(C)CSC 2230a_100000747261_100011218213 [1,1,0,0,0,0|1,1,0]=4 1366 B7R0.7 CCCN(C)CSC 269982a_100000747261_100011218213 [1,1,0,0,0,0|1,1,0]=4 1367 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [1,1,0,0,0,0|2,0,0]=4 1368 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B7R0.7 CCCN([13CH3])CCO 2230a_100000211420_200025704644 [1,1,0,0,0,0|1,0,0]=3 1370 B7R0.7 CCCN([13CH3])CCO 269982a_100000211420_200025704644 [1,1,0,0,0,0|1,0,0]=3 1371 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [1,1,0,0,0,0|1,0,0]=3 1372 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|1,0,0]=3 1373 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [1,1,0,0,0,0|0,1,1]=4 1374 B7R0.7 CCNC(C)CC#N 2230a_100015525214_100009813641 [1,1,0,0,0,0|2,0,0]=4 1375 B7R0.7 CCNC(C)CCO 2230a_100015525214_100009893172 [1,1,0,0,0,0|1,0,0]=3 1376 B7R0.7 CCNC(C)COC 2230a_100015525214_100000765312 [1,1,0,0,0,0|1,0,0]=3 1377 B7R0.7 CCNC(C)COC 270004a_100015525214_100000749346 [1,1,0,0,0,0|1,0,0]=3 1378 B7R0.7 CCNC(C)CSC 270004a_100015525214_100011216314 [1,1,0,0,0,0|1,1,0]=4 1379 B7R0.7 CCN[C@@H](C)CC#N 2230a_100016994482_100000210202 [1,1,0,0,0,0|2,0,0]=4 1380 B7R0.7 CCN[C@H](C)CCO 2230a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 1381 B7R0.7 CCN[C@H](C)CCO 34a_100000706166_100000210202 [1,1,0,0,0,0|1,0,0]=3 1382 B7R0.7 CCN[C@H](C)COC 2230a_100000764878_100000210202 [1,1,0,0,0,0|1,0,0]=3 1383 B7R0.7 CCOC(C)CCBr 34a_100012276601_100000210202 [1,1,0,0,0,0|2,0,0]=4 1384 B7R0.7 CCOC(C)CCO 34a_100121572206_100009893172 [1,1,0,0,0,0|1,0,0]=3 1385 B7R0.7 CCOC(C)COC 34a_100121572206_100000765312 [1,1,0,0,0,0|1,0,0]=3 1386 B7R0.7 CCO[C@H](C)COC 34a_100011934205_100000210202 [1,1,0,0,0,0|1,0,0]=3 1387 B7R0.7 CCSC(C)CC#N 62a_100000210202_100009813641 [1,1,0,0,0,0|2,0,0]=4 1388 B7R0.7 CCSC(C)CC#N 62a_100009813641_100000210202 [1,1,0,0,0,0|2,0,0]=4 1389 B7R0.7 CCSC(C)CCO 62a_100000210202_100009893172 [1,1,0,0,0,0|1,0,0]=3 1390 B7R0.7 CCSC(C)CCO 62a_100009893172_100000210202 [1,1,0,0,0,0|1,0,0]=3 1391 B7R0.7 CCSC(C)COC 62a_100000210202_100000765312 [1,1,0,0,0,0|1,0,0]=3 1392 B7R0.7 CCSC(C)COC 62a_100000765312_100000210202 [1,1,0,0,0,0|1,0,0]=3 1393 B7R0.7 CN(CCO)CCF 2230a_100000210263_100011217306 [1,1,0,0,0,0|2,0,0]=4 1394 B7R0.7 CN(CCO)CCF 269982a_100000210263_100011217306 [1,1,0,0,0,0|2,0,0]=4 1395 B7R0.7 CN(CCO)CCO 2230a_100000210263_100000211926 [1,1,0,0,0,0|2,0,0]=4 1396 B7R0.7 CN(CCO)CCO 2230a_100000210587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1397 B7R0.7 CN(CCO)CCO 269982a_100000210263_100000211926 [1,1,0,0,0,0|2,0,0]=4 1398 B7R0.7 CN(CCO)CCO 269982a_100000210587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1399 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1400 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1401 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [1,1,0,0,0,0|2,0,0]=4 1402 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [1,1,0,0,0,0|2,0,0]=4 1403 B7R0.7 COCC(=O)CCO 1458a_100000210968_100000211926 [1,1,0,0,0,0|0,1,1]=4 1404 B7R0.7 COCC(C)CCN 34a_106354213184_200000210301 [1,1,0,0,0,0|1,0,0]=3 1405 B7R0.7 COCC(C)SCF 62a_100000765312_100015361967 [1,1,0,0,0,0|2,0,0]=4 1406 B7R0.7 COCC(C)SCF 62a_100015361967_100000765312 [1,1,0,0,0,0|2,0,0]=4 1407 B7R0.7 COCC(N)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1408 B7R0.7 COCC(N)CO[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1409 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1410 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1411 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [1,1,0,0,0,0|2,0,0]=4 1412 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1413 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [1,1,0,0,0,0|2,0,0]=4 1414 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1415 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [1,1,0,0,0,0|2,0,0]=4 1416 B7R0.7 COCN(C)CCO 2230a_100000210263_100000766300 [1,1,0,0,0,0|2,0,0]=4 1417 B7R0.7 COCN(C)CCO 269982a_100000210263_100000766300 [1,1,0,0,0,0|2,0,0]=4 1418 B7R0.7 COC[C@@H](C)OCF 34a_100011934205_100015361967 [1,1,0,0,0,0|2,0,0]=4 1419 B7R0.7 CSCC(=O)CCO 1458a_100000184570_100000211926 [1,1,0,0,0,0|0,1,1]=4 1420 B7R0.7 CSCN(C)CCO 2230a_100000210263_100011218213 [1,1,0,0,0,0|2,0,0]=4 1421 B7R0.7 CSCN(C)CCO 269982a_100000210263_100011218213 [1,1,0,0,0,0|2,0,0]=4 1422 B7R0.7 C[C@H](CCO)NCF 34a_100000706166_100015361967 [1,1,0,0,0,0|2,0,0]=4 1423 B7R0.7 O=C(CCO)CCF 1458a_100011216618_100011217306 [1,1,0,0,0,0|0,1,1]=4 1424 B7R0.7 O=C(CCO)CCO 1458a_100011216618_100000211926 [1,1,0,0,0,0|0,1,1]=4 1425 B7R0.7 [13CH3]N(CCO)CCO 2230a_100000210587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1426 B7R0.7 [13CH3]N(CCO)CCO 269982a_100000210587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1427 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [1,1,0,0,0,0|2,0,0]=4 1428 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|1,0,0]=3 1429 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,0,0]=3 1430 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,0,0]=3 1431 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 1432 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 1433 B7R0.11 CCCC(C)(C)OC 7a_100000748436_200000210301 [1,1,0,0,0,0|2,0,0]=4 1434 B7R0.11 CCCC(C)(C)O[13CH3] 7a_100000748436_200025704644 [1,1,0,0,0,0|2,0,0]=4 1435 B7R0.11 CCNC(C)(C)CC 2230a_100000211385_100000210202 [1,1,0,0,0,0|2,0,0]=4 1436 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|1,0,0]=3 1437 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [1,1,0,0,0,0|2,0,0]=4 1438 B7R0.11 CCOC(C)(C)CCl 7a_100000764493_100000210202 [1,1,0,0,0,0|2,0,0]=4 1439 B7R0.11 CCSC(C)(C)CC 62a_100000032637_100000210202 [1,1,0,0,0,0|2,0,0]=4 1440 B7R0.11 CCSC(C)(C)CC 62a_100000210202_100000032637 [1,1,0,0,0,0|2,0,0]=4 1441 B7R0.11 CCSC(F)(F)CO 62a_100000210202_100011217949 [1,1,0,0,0,0|2,0,0]=4 1442 B7R0.11 CCSC(F)(F)CO 62a_100011217949_100000210202 [1,1,0,0,0,0|2,0,0]=4 1443 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|1,0,0]=3 1444 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|1,0,0]=3 1445 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|1,0,0]=3 1446 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [1,1,0,0,0,0|2,0,0]=4 1447 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,0,0]=3 1448 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,0,0]=3 1449 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,0,0]=3 1450 B7R0.12 C#CC(CCC)OC 34a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1451 B7R0.12 C#CC(CCC)OC 7a_200011217317_200000210301 [1,1,0,0,0,0|1,0,1]=4 1452 B7R0.12 C#CC(CCC)O[13CH3] 34a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1453 B7R0.12 C#CC(CCC)O[13CH3] 7a_200011217317_200025704644 [1,1,0,0,0,0|1,0,1]=4 1454 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1455 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [1,1,0,0,0,0|1,0,1]=4 1456 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1457 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [1,1,0,0,0,0|1,0,1]=4 1458 B7R0.12 C=CC[C@H](CO)NC 2230a_100020615467_200000210301 [1,1,0,0,0,0|0,0,2]=4 1459 B7R0.12 C=CC[C@H](CO)N[13CH3] 2230a_100020615467_200025704644 [1,1,0,0,0,0|0,0,2]=4 1460 B7R0.12 C=C[C@@H](CO)NCC 2230a_100016989147_100000210202 [1,1,0,0,0,0|1,0,1]=4 1461 B7R0.12 C=C[C@@H](CO)NCC 34a_100016989147_100000210202 [1,1,0,0,0,0|1,0,1]=4 1462 B7R0.12 CCC(CC)CNC 2230a_100102946423_200000210301 [1,1,0,0,0,0|2,0,0]=4 1463 B7R0.12 CCC(CC)CNC 2230a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1464 B7R0.12 CCC(CC)CNC 269862a_106832991636_100000211137 [1,1,0,0,0,0|2,0,0]=4 1465 B7R0.12 CCC(CC)CNC 270004a_106832991635_100000211137 [1,1,0,0,0,0|2,0,0]=4 1466 B7R0.12 CCC(CC)CNC 34a_100102657272_100011215472 [1,1,0,0,0,0|2,0,0]=4 1467 B7R0.12 CCC(CC)CNC 7a_106832991635_100011215472 [1,1,0,0,0,0|2,0,0]=4 1468 B7R0.12 CCC(CC)CN[13CH3] 2230a_100102946423_200025704644 [1,1,0,0,0,0|2,0,0]=4 1469 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,1,0,0,0,0|2,0,0]=4 1470 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,1,0,0,0,0|2,0,0]=4 1471 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,1,0,0,0,0|2,0,0]=4 1472 B7R0.12 CCC(CC)CSC 62a_100011215472_200000210301 [1,1,0,0,0,0|2,0,0]=4 1473 B7R0.12 CCC(CC)CSC 62a_200000210301_100011215472 [1,1,0,0,0,0|2,0,0]=4 1474 B7R0.12 CCC(CC)CS[13CH3] 62a_100011215472_200025704644 [1,1,0,0,0,0|2,0,0]=4 1475 B7R0.12 CCC(CC)CS[13CH3] 62a_200025704644_100011215472 [1,1,0,0,0,0|2,0,0]=4 1476 B7R0.12 CCC(COC)NC 2230a_100000757820_200000210301 [1,1,0,0,0,0|2,0,0]=4 1477 B7R0.12 CCC(COC)NC 270004a_106832991635_100000757811 [1,1,0,0,0,0|2,0,0]=4 1478 B7R0.12 CCC(COC)N[13CH3] 2230a_100000757820_200025704644 [1,1,0,0,0,0|2,0,0]=4 1479 B7R0.12 CCC(COC)OC 34a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1480 B7R0.12 CCC(COC)OC 7a_100011934954_200000210301 [1,1,0,0,0,0|2,0,0]=4 1481 B7R0.12 CCC(COC)OC 7a_200011214946_200000210301 [1,1,0,0,0,0|2,0,0]=4 1482 B7R0.12 CCC(COC)O[13CH3] 7a_200011214946_200025704644 [1,1,0,0,0,0|2,0,0]=4 1483 B7R0.12 CCC(CO[13CH3])OC 34a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1484 B7R0.12 CCC(CO[13CH3])OC 7a_100011934954_200025704644 [1,1,0,0,0,0|2,0,0]=4 1485 B7R0.12 CCCC(C#N)OC 34a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1486 B7R0.12 CCCC(C#N)OC 7a_100000686963_200000210301 [1,1,0,0,0,0|1,0,1]=4 1487 B7R0.12 CCCC(C#N)O[13CH3] 34a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1488 B7R0.12 CCCC(C#N)O[13CH3] 7a_100000686963_200025704644 [1,1,0,0,0,0|1,0,1]=4 1489 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [1,1,0,0,0,0|1,0,0]=3 1490 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [1,1,0,0,0,0|1,0,0]=3 1491 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [1,1,0,0,0,0|1,0,0]=3 1492 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [1,1,0,0,0,0|1,0,0]=3 1493 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1494 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [1,1,0,0,0,0|1,0,0]=3 1495 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1496 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [1,1,0,0,0,0|1,0,0]=3 1497 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [1,1,0,0,0,0|1,0,0]=3 1498 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [1,1,0,0,0,0|1,0,0]=3 1499 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [1,1,0,0,0,0|1,0,0]=3 1500 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [1,1,0,0,0,0|1,0,0]=3 1501 B7R0.12 CCCN(CC)CC 2230a_100000226822_100000210202 [1,1,0,0,0,0|2,0,0]=4 1502 B7R0.12 CCCN(CC)CC 2230a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 1503 B7R0.12 CCCN(CC)CC 269956a_100000042499_100000210207 [1,1,0,0,0,0|2,0,0]=4 1504 B7R0.12 CCCN(CC)CC 269982a_100000226822_100000204670 [1,1,0,0,0,0|2,0,0]=4 1505 B7R0.12 CCCN(CC)CC 269982a_100000724800_100000210303 [1,1,0,0,0,0|2,0,0]=4 1506 B7R0.12 CCCN(CC)CF 269982a_100000226822_100015361967 [1,1,0,0,0,0|2,0,0]=4 1507 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [1,1,0,0,0,0|0,0,0]=2 1508 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [1,1,0,0,0,0|0,0,0]=2 1509 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [1,1,0,0,0,0|0,0,0]=2 1510 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [1,1,0,0,0,0|0,0,0]=2 1511 B7R0.12 CCN(CC)CCO 2230a_100000210973_100000210202 [1,1,0,0,0,0|2,0,0]=4 1512 B7R0.12 CCN(CC)CCO 2230a_100000724800_100000211926 [1,1,0,0,0,0|2,0,0]=4 1513 B7R0.12 CCN(CC)CCO 269956a_100000042499_100000211926 [1,1,0,0,0,0|2,0,0]=4 1514 B7R0.12 CCN(CC)CCO 269982a_100000210973_100000204670 [1,1,0,0,0,0|2,0,0]=4 1515 B7R0.12 CCN(CC)CCO 269982a_100000724800_100000211926 [1,1,0,0,0,0|2,0,0]=4 1516 B7R0.12 CCN(CF)CCO 269982a_100000210973_100015361967 [1,1,0,0,0,0|2,0,0]=4 1517 B7R0.12 CCNC(CC)CC 2230a_100000199018_100000210202 [1,1,0,0,0,0|2,0,0]=4 1518 B7R0.12 CCNC(CC)CC 270004a_100015525214_100000210860 [1,1,0,0,0,0|2,0,0]=4 1519 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,1,0,0,0,0|1,0,0]=3 1520 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,1,0,0,0,0|1,0,0]=3 1521 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [1,1,0,0,0,0|2,0,0]=4 1522 B7R0.12 CCOC(CCl)CCl 7a_100000737055_100000210202 [1,1,0,0,0,0|2,0,0]=4 1523 B7R0.12 CCOC(CF)CF 34a_100000032261_100000210202 [1,1,0,0,0,0|2,0,0]=4 1524 B7R0.12 CCOC(CF)CF 7a_100000032261_100000210202 [1,1,0,0,0,0|2,0,0]=4 1525 B7R0.12 CCOC(CN)CN 34a_100000031598_100000210202 [1,1,0,0,0,0|2,0,0]=4 1526 B7R0.12 CCO[C@@H](CF)CCl 34a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 1527 B7R0.12 CCO[C@@H](CF)CCl 7a_100015614560_100000210202 [1,1,0,0,0,0|2,0,0]=4 1528 B7R0.12 CCSC(CC)CC 62a_100000210202_100000210505 [1,1,0,0,0,0|2,0,0]=4 1529 B7R0.12 CCSC(CC)CC 62a_100000210505_100000210202 [1,1,0,0,0,0|2,0,0]=4 1530 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|1,0,0]=3 1531 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|1,0,0]=3 1532 B7R0.12 COCC(CCl)OC 34a_100011215053_200000210301 [1,1,0,0,0,0|2,0,0]=4 1533 B7R0.12 COCC(CCl)O[13CH3] 34a_100011215053_200025704644 [1,1,0,0,0,0|2,0,0]=4 1534 B7R0.12 COCC(CN)OC 34a_100000756049_200000210301 [1,1,0,0,0,0|2,0,0]=4 1535 B7R0.12 COCC(CN)O[13CH3] 34a_100000756049_200025704644 [1,1,0,0,0,0|2,0,0]=4 1536 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|1,0,0]=3 1537 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|1,0,0]=3 1538 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,1,0,0,0,0|0,1,1]=4 1539 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,1,0,0,0,0|0,1,1]=4 1540 B7R0.13 CC(C)C(C)(C)N[13CH3] 2230a_200160471154_200025704644 [1,1,0,0,0,0|2,0,0]=4 1541 B7R0.13 CC(C)C(C)(C)O[13CH3] 7a_100011215261_200025704644 [1,1,0,0,0,0|2,0,0]=4 1542 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [1,1,0,0,0,0|2,0,0]=4 1543 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [1,1,0,0,0,0|2,0,0]=4 1544 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [1,1,0,0,0,0|2,0,0]=4 1545 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [1,1,0,0,0,0|2,0,0]=4 1546 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [1,1,0,0,0,0|2,0,0]=4 1547 B7R0.13 CN(C)C(C)(C)CO 269982a_100015204102_200000210301 [1,1,0,0,0,0|2,0,0]=4 1548 B7R0.13 CN([13CH3])C(C)(C)CO 269982a_100015204102_200025704644 [1,1,0,0,0,0|2,0,0]=4 1549 B7R0.13 CNC(C)(C)C(C)C 2230a_200160471154_200000210301 [1,1,0,0,0,0|2,0,0]=4 1550 B7R0.13 COC(C)(C)C(C)C 7a_100011215261_200000210301 [1,1,0,0,0,0|2,0,0]=4 1551 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|0,1,1]=4 1552 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|0,1,1]=4 1553 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|0,1,1]=4 1554 B7R0.14 CCN(C)C(C)(C)C 2230a_100011200764_200000210301 [1,1,0,0,0,0|2,0,0]=4 1555 B7R0.14 CCN(C)C(C)(C)C 269982a_100000225621_100000210625 [1,1,0,0,0,0|2,0,0]=4 1556 B7R0.14 CCN(C)C(C)(C)C 269982a_100011200764_200000210301 [1,1,0,0,0,0|2,0,0]=4 1557 B7R0.14 CCN(C)C(C)(C)C 269982a_100011215553_100000204670 [1,1,0,0,0,0|2,0,0]=4 1558 B7R0.14 CCN([13CH3])C(C)(C)C 2230a_100011200764_200025704644 [1,1,0,0,0,0|2,0,0]=4 1559 B7R0.14 CCN([13CH3])C(C)(C)C 269982a_100011200764_200025704644 [1,1,0,0,0,0|2,0,0]=4 1560 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [1,1,0,0,0,0|2,0,0]=4 1561 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [1,1,0,0,0,0|2,0,0]=4 1562 B7R0.14 CN[C@H](C)C(C)(C)C 2230a_100025703359_200000210301 [1,1,0,0,0,0|2,0,0]=4 1563 B7R0.14 C[C@@H](N[13CH3])C(C)(C)C 2230a_100025703359_200025704644 [1,1,0,0,0,0|2,0,0]=4 1564 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [1,1,0,0,0,0|2,0,0]=4 1565 B7R0.15 C#CC(OC)C(C)C 34a_100011217124_200000210301 [1,1,0,0,0,0|2,0,0]=4 1566 B7R0.15 C#CC(OC)C(C)C 7a_100011217124_200000210301 [1,1,0,0,0,0|2,0,0]=4 1567 B7R0.15 C#CC(O[13CH3])C(C)C 34a_100011217124_200025704644 [1,1,0,0,0,0|2,0,0]=4 1568 B7R0.15 C#CC(O[13CH3])C(C)C 7a_100011217124_200025704644 [1,1,0,0,0,0|2,0,0]=4 1569 B7R0.15 C=CC(OC)C(C)C 34a_100000732651_200000210301 [1,1,0,0,0,0|2,0,0]=4 1570 B7R0.15 C=CC(OC)C(C)C 7a_100000732651_200000210301 [1,1,0,0,0,0|2,0,0]=4 1571 B7R0.15 C=CC(O[13CH3])C(C)C 34a_100000732651_200025704644 [1,1,0,0,0,0|2,0,0]=4 1572 B7R0.15 C=CC(O[13CH3])C(C)C 7a_100000732651_200025704644 [1,1,0,0,0,0|2,0,0]=4 1573 B7R0.15 CC(C)C(C#N)O[13CH3] 34a_100000748901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1574 B7R0.15 CC(C)C(C#N)O[13CH3] 7a_100000748901_200025704644 [1,1,0,0,0,0|2,0,0]=4 1575 B7R0.15 CC(C)C(CN)O[13CH3] 34a_100000759067_200025704644 [1,1,0,0,0,0|1,1,0]=4 1576 B7R0.15 CC(C)[C@H](CO)N[13CH3] 2230a_100011830312_200025704644 [1,1,0,0,0,0|1,0,0]=3 1577 B7R0.15 CC(C)[C@H](CO)N[13CH3] 34a_100011830312_200025704644 [1,1,0,0,0,0|1,0,0]=3 1578 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1579 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [1,1,0,0,0,0|2,0,0]=4 1580 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [1,1,0,0,0,0|2,0,0]=4 1581 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [1,1,0,0,0,0|2,0,0]=4 1582 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1583 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [1,1,0,0,0,0|2,0,0]=4 1584 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [1,1,0,0,0,0|1,0,0]=3 1585 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [1,1,0,0,0,0|0,1,0]=3 1586 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [1,1,0,0,0,0|0,1,0]=3 1587 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [1,1,0,0,0,0|0,1,0]=3 1588 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [1,1,0,0,0,0|0,1,0]=3 1589 B7R0.15 CCN(CC)C(C)C 2230a_100000223864_100000210202 [1,1,0,0,0,0|2,0,0]=4 1590 B7R0.15 CCN(CC)C(C)C 2230a_100000724800_100000210206 [1,1,0,0,0,0|2,0,0]=4 1591 B7R0.15 CCN(CC)C(C)C 269956a_100000042499_100000210206 [1,1,0,0,0,0|2,0,0]=4 1592 B7R0.15 CCN(CC)C(C)C 269982a_100000223864_100000204670 [1,1,0,0,0,0|2,0,0]=4 1593 B7R0.15 CCN(CC)C(C)C 269982a_100000724800_100000210206 [1,1,0,0,0,0|2,0,0]=4 1594 B7R0.15 CCN(CF)C(C)C 269982a_100000223864_100015361967 [1,1,0,0,0,0|2,0,0]=4 1595 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,0]=3 1596 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,0]=3 1597 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,0]=3 1598 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,0]=3 1599 B7R0.15 CN[C@@H](CO)C(C)C 2230a_100011830312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1600 B7R0.15 CN[C@@H](CO)C(C)C 34a_100011830312_200000210301 [1,1,0,0,0,0|1,0,0]=3 1601 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|0,1,0]=3 1602 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|0,1,0]=3 1603 B7R0.15 COC(C#N)C(C)C 34a_100000748901_200000210301 [1,1,0,0,0,0|2,0,0]=4 1604 B7R0.15 COC(C#N)C(C)C 7a_100000748901_200000210301 [1,1,0,0,0,0|2,0,0]=4 1605 B7R0.15 COC(CN)C(C)C 34a_100000759067_200000210301 [1,1,0,0,0,0|1,1,0]=4 1606 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|0,1,0]=3 1607 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|0,1,0]=3 1608 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,1]=4 1609 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|0,1,1]=4 1610 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [1,1,0,0,0,0|0,1,1]=4 1611 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [1,1,0,0,0,0|0,1,1]=4 1612 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [1,1,0,0,0,0|0,1,1]=4 1613 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [1,1,0,0,0,0|0,1,1]=4 1614 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,1]=4 1615 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1616 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [1,1,0,0,0,0|2,0,0]=4 1617 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1618 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [1,1,0,0,0,0|2,0,0]=4 1619 B7R0.16 CC(C)N(C)C(C)C 2230a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1620 B7R0.16 CC(C)N(C)C(C)C 269982a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1621 B7R0.16 CC(C)N(C)C(C)C 269982a_200000211004_100000210206 [1,1,0,0,0,0|2,0,0]=4 1622 B7R0.16 CC(C)N(C)C(C)C 34a_100000086832_200000210301 [1,1,0,0,0,0|2,0,0]=4 1623 B7R0.16 CC(C)N([13CH3])C(C)C 2230a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1624 B7R0.16 CC(C)N([13CH3])C(C)C 269982a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1625 B7R0.16 CC(C)N([13CH3])C(C)C 34a_100000086832_200025704644 [1,1,0,0,0,0|2,0,0]=4 1626 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|0,1,1]=4 1627 B9R0.22 CC(CO)NC(C)(C)CO 2230a_100000210608_100012180447 [0,1,0,0,0,1|2,0,0]=4 1628 B9R0.22 CC(CO)OC(C)(C)CCl 7a_100000764493_100012180447 [0,1,0,0,0,1|2,0,0]=4 1629 B9R0.22 CC(CO)SC(F)(F)CO 62a_100012180447_100011217949 [0,1,0,0,0,1|2,0,0]=4 1630 B9R0.22 CCC(=O)NC(C)(C)CO 240690a_100000210608_100000210414 [0,1,0,0,0,1|0,1,1]=4 1631 B9R0.22 CCC(=O)NC(C)(C)CO 527a_100020618417_100000210414 [0,1,0,0,0,1|0,1,1]=4 1632 B9R0.22 CCC(C)(C)NC(C)CO 2230a_100000211385_100012180447 [0,1,0,0,0,1|1,0,0]=3 1633 B9R0.22 CCC(C)(C)OC(C)CF 7a_100016041109_100000210677 [0,1,0,0,0,1|2,0,0]=4 1634 B9R0.22 CCC(C)(C)OC(C)CO 7a_100000210230_100012180447 [0,1,0,0,0,1|1,0,0]=3 1635 B9R0.22 CCC(C)(C)SC(C)CO 62a_100012180447_100000032637 [0,1,0,0,0,1|1,0,0]=3 1636 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100000032637_100016084084 [0,1,0,0,0,1|1,0,0]=3 1637 B9R0.22 CCC(C)(C)S[C@H](C)CO 62a_100016084084_100000032637 [0,1,0,0,0,1|1,0,0]=3 1638 B9R0.22 CCC(C)NC(C)(C)CC 2230a_100000211385_100000758301 [0,1,0,0,0,1|2,0,0]=4 1639 B9R0.22 CCC(C)NC(C)(C)CO 2230a_100000210608_100000758301 [0,1,0,0,0,1|1,0,0]=3 1640 B9R0.22 CCC(C)OC(C)(C)CC 7a_100000210228_100000210677 [0,1,0,0,0,1|2,0,0]=4 1641 B9R0.22 CCC(C)OC(C)(C)CC 7a_100000210230_100000758301 [0,1,0,0,0,1|2,0,0]=4 1642 B9R0.22 CCC(C)OC(C)(C)CCl 7a_100000764493_100000758301 [0,1,0,0,0,1|2,0,0]=4 1643 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000032637_100000758301 [0,1,0,0,0,1|2,0,0]=4 1644 B9R0.22 CCC(C)SC(C)(C)CC 62a_100000758301_100000032637 [0,1,0,0,0,1|2,0,0]=4 1645 B9R0.22 CCC(C)SC(F)(F)CO 62a_100000758301_100011217949 [0,1,0,0,0,1|2,0,0]=4 1646 B9R0.22 CCC(C)SC(F)(F)CO 62a_100011217949_100000758301 [0,1,0,0,0,1|2,0,0]=4 1647 B9R0.22 CCN(C)CC(C)(C)CO 2230a_100000732702_100000210202 [0,1,0,0,0,1|2,0,0]=4 1648 B9R0.22 CCN(C)CC(C)(C)CO 269982a_100000732702_100000204670 [0,1,0,0,0,1|2,0,0]=4 1649 B9R0.22 CCS(=O)(=O)N[C@H](C)CO 270084a_100000737577_100000211323 [0,1,0,0,0,1|1,1,0]=4 1650 B9R0.22 CCS(=O)(=O)N[C@H](C)CO 274078a_100000737577_100000211323 [0,1,0,0,0,1|1,1,0]=4 1651 B9R0.22 CCS(=O)(=O)N[C@H](C)CO 40a_100000737577_100000053943 [0,1,0,0,0,1|1,1,0]=4 1652 B9R0.22 C[C@H](CO)SC(F)(F)CO 62a_100011217949_100016084084 [0,1,0,0,0,1|2,0,0]=4 1653 B9R0.22 C[C@H](CO)SC(F)(F)CO 62a_100016084084_100011217949 [0,1,0,0,0,1|2,0,0]=4 1654 B9R0.26 C#CC(CC)OC(C)CC 34a_100000758843_100011215416 [0,1,0,0,0,1|2,0,0]=4 1655 B9R0.26 C#CC(CC)OC(C)CC 7a_100000758843_100000758301 [0,1,0,0,0,1|2,0,0]=4 1656 B9R0.26 C#CC(CC)OC(C)CO 34a_100000758843_100012180447 [0,1,0,0,0,1|1,0,0]=3 1657 B9R0.26 C#CC(CC)OC(C)CO 7a_100000758843_100012180447 [0,1,0,0,0,1|1,0,0]=3 1658 B9R0.26 C=CC(CC)OC(C)CC 34a_100000766422_100011215416 [0,1,0,0,0,1|2,0,0]=4 1659 B9R0.26 C=CC(CC)OC(C)CC 7a_100000766422_100000758301 [0,1,0,0,0,1|2,0,0]=4 1660 B9R0.26 C=CC(CC)OC(C)CO 34a_100000766422_100012180447 [0,1,0,0,0,1|1,0,0]=3 1661 B9R0.26 C=CC(CC)OC(C)CO 7a_100000766422_100012180447 [0,1,0,0,0,1|1,0,0]=3 1662 B9R0.26 C=C[C@@H](CO)NC(C)CC 2230a_100016989147_100000758301 [0,1,0,0,0,1|1,0,1]=4 1663 B9R0.26 C=C[C@@H](CO)NC(C)CC 34a_100016989147_100011215416 [0,1,0,0,0,1|1,0,1]=4 1664 B9R0.26 C=C[C@@H](CO)NC(C)CO 2230a_100016989147_100012180447 [0,1,0,0,0,1|2,0,0]=4 1665 B9R0.26 C=C[C@@H](CO)NC(C)CO 34a_100016989147_100012180447 [0,1,0,0,0,1|2,0,0]=4 1666 B9R0.26 CC(CO)NC(CO)CO 2230a_100000759517_100012180447 [0,1,0,0,0,1|1,1,0]=4 1667 B9R0.26 CC(CO)OC(CCl)CCl 7a_100000737055_100012180447 [0,1,0,0,0,1|2,0,0]=4 1668 B9R0.26 CC(CO)OC(CF)CF 34a_100000032261_100012180447 [0,1,0,0,0,1|2,0,0]=4 1669 B9R0.26 CC(CO)OC(CF)CF 7a_100000032261_100012180447 [0,1,0,0,0,1|2,0,0]=4 1670 B9R0.26 CC(CO)OC(CN)CN 34a_100000031598_100012180447 [0,1,0,0,0,1|2,0,0]=4 1671 B9R0.26 CC(CO)O[C@@H](CF)CCl 34a_100015614560_100012180447 [0,1,0,0,0,1|2,0,0]=4 1672 B9R0.26 CC(CO)O[C@@H](CF)CCl 7a_100015614560_100012180447 [0,1,0,0,0,1|2,0,0]=4 1673 B9R0.26 CCC(=O)NC(CO)CO 240690a_100000759517_100000210414 [0,1,0,0,0,1|0,1,1]=4 1674 B9R0.26 CCC(=O)NC(CO)CO 527a_100000759517_100000210414 [0,1,0,0,0,1|0,1,1]=4 1675 B9R0.26 CCC(=O)N[C@@H](CC)CO 240690a_100000709445_100000210414 [0,1,0,0,0,1|0,1,1]=4 1676 B9R0.26 CCC(=O)N[C@@H](CC)CO 527a_100000709445_100000210414 [0,1,0,0,0,1|0,1,1]=4 1677 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [0,1,0,0,0,1|2,0,0]=4 1678 B9R0.26 CCC(C)CC(CC)OC 7a_200011216566_200000210301 [0,1,0,0,0,1|1,1,0]=4 1679 B9R0.26 CCC(C)CC(CC)O[13CH3] 7a_200011216566_200025704644 [0,1,0,0,0,1|1,1,0]=4 1680 B9R0.26 CCC(C)NC(CC)CC 2230a_100000199018_100000758301 [0,1,0,0,0,1|2,0,0]=4 1681 B9R0.26 CCC(C)NC(CC)CC 270004a_100000209981_100000210860 [0,1,0,0,0,1|2,0,0]=4 1682 B9R0.26 CCC(C)NC(CO)CO 2230a_100000759517_100000758301 [0,1,0,0,0,1|1,0,0]=3 1683 B9R0.26 CCC(C)N[C@@H](CC)CO 2230a_100000709445_100000758301 [0,1,0,0,0,1|1,0,0]=3 1684 B9R0.26 CCC(C)OC(CC)CC 7a_100000210228_100000210505 [0,1,0,0,0,1|2,0,0]=4 1685 B9R0.26 CCC(C)OC(CC)CC 7a_100000688536_100000758301 [0,1,0,0,0,1|2,0,0]=4 1686 B9R0.26 CCC(C)OC(CCl)CCl 7a_100000737055_100000758301 [0,1,0,0,0,1|2,0,0]=4 1687 B9R0.26 CCC(C)OC(CF)CF 34a_100000032261_100011215416 [0,1,0,0,0,1|2,0,0]=4 1688 B9R0.26 CCC(C)OC(CF)CF 7a_100000032261_100000758301 [0,1,0,0,0,1|2,0,0]=4 1689 B9R0.26 CCC(C)OC(CN)CN 34a_100000031598_100011215416 [0,1,0,0,0,1|2,0,0]=4 1690 B9R0.26 CCC(C)O[C@@H](CF)CCl 34a_100015614560_100011215416 [0,1,0,0,0,1|2,0,0]=4 1691 B9R0.26 CCC(C)O[C@@H](CF)CCl 7a_100015614560_100000758301 [0,1,0,0,0,1|2,0,0]=4 1692 B9R0.26 CCC(C)SC(CC)CC 62a_100000210505_100000758301 [0,1,0,0,0,1|2,0,0]=4 1693 B9R0.26 CCC(C)SC(CC)CC 62a_100000758301_100000210505 [0,1,0,0,0,1|2,0,0]=4 1694 B9R0.26 CCC(CC)NC(C)CO 2230a_100000199018_100012180447 [0,1,0,0,0,1|1,0,0]=3 1695 B9R0.26 CCC(CC)N[C@H](C)CF 270004a_100102880703_100000210860 [0,1,0,0,0,1|2,0,0]=4 1696 B9R0.26 CCC(CC)N[C@H](C)CO 270004a_100000737577_100000210860 [0,1,0,0,0,1|1,0,0]=3 1697 B9R0.26 CCC(CC)OC(C)CF 7a_100016041109_100000210505 [0,1,0,0,0,1|2,0,0]=4 1698 B9R0.26 CCC(CC)OC(C)CO 7a_100000688536_100012180447 [0,1,0,0,0,1|1,0,0]=3 1699 B9R0.26 CCC(CC)SC(C)CO 62a_100012180447_100000210505 [0,1,0,0,0,1|1,0,0]=3 1700 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100000210505_100016084084 [0,1,0,0,0,1|1,0,0]=3 1701 B9R0.26 CCC(CC)S[C@H](C)CO 62a_100016084084_100000210505 [0,1,0,0,0,1|1,0,0]=3 1702 B9R0.26 CCN(CC)C[C@@H](C)CO 2230a_100000724800_100000059175 [0,1,0,0,0,1|2,0,0]=4 1703 B9R0.26 CCN(CC)C[C@@H](C)CO 269956a_100000042499_100000059175 [0,1,0,0,0,1|2,0,0]=4 1704 B9R0.26 CCN(CC)C[C@@H](C)CO 269982a_100000724800_100000059175 [0,1,0,0,0,1|2,0,0]=4 1705 B9R0.26 CC[C@@H](CO)NC(C)CO 2230a_100000709445_100012180447 [0,1,0,0,0,1|0,1,0]=3 1706 B9R0.27 CC(CO)N(C)C(C)CO 2230a_100000693034_100012180447 [0,1,0,0,0,1|2,0,0]=4 1707 B9R0.27 CC(CO)N(C)[C@H](C)CO 269982a_100000693034_100016084084 [0,1,0,0,0,1|2,0,0]=4 1708 B9R0.27 CCC(=O)N(C)C(C)CO 240690a_100000693034_100000210414 [0,1,0,0,0,1|0,1,1]=4 1709 B9R0.27 CCC(=O)N(C)C(C)CO 527a_100000693034_100000210414 [0,1,0,0,0,1|0,1,1]=4 1710 B9R0.27 CCC(C)C(=O)C(C)CC 1458a_100011192722_100000758301 [0,1,0,0,0,1|2,0,0]=4 1711 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,1,0,0,0,1|1,1,0]=4 1712 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,1,0,0,0,1|2,0,0]=4 1713 B9R0.27 CCC(C)N(C)C(C)CC 2230a_100000741768_100000758301 [0,1,0,0,0,1|2,0,0]=4 1714 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000210998_200000210301 [0,1,0,0,0,1|2,0,0]=4 1715 B9R0.27 CCC(C)N(C)C(C)CC 269982a_100000741768_100000758301 [0,1,0,0,0,1|2,0,0]=4 1716 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000693034_100000758301 [0,1,0,0,0,1|1,0,0]=3 1717 B9R0.27 CCC(C)N(C)C(C)CO 2230a_100000741768_100012180447 [0,1,0,0,0,1|1,0,0]=3 1718 B9R0.27 CCC(C)N(C)C(C)CO 269982a_100000693034_100000758301 [0,1,0,0,0,1|1,0,0]=3 1719 B9R0.27 CCC(C)N(C)[C@H](C)CO 269982a_100000741768_100016084084 [0,1,0,0,0,1|1,0,0]=3 1720 B9R0.27 CCC(C)N([13CH3])C(C)CC 269982a_100000210998_200025704644 [0,1,0,0,0,1|2,0,0]=4 1721 B9R0.27 COC(C)N(C)C(C)CO 269982a_100000693034_100009879195 [0,1,0,0,0,1|2,0,0]=4 1722 B9R0.34 C#CCC(C)OC(C)CC 34a_100000685586_100011215416 [0,1,0,0,0,1|2,0,0]=4 1723 B9R0.34 C#CCC(C)OC(C)CC 7a_100000685586_100000758301 [0,1,0,0,0,1|2,0,0]=4 1724 B9R0.34 C#CCC(C)OC(C)CO 34a_100000685586_100012180447 [0,1,0,0,0,1|1,0,1]=4 1725 B9R0.34 C#CCC(C)OC(C)CO 7a_100000685586_100012180447 [0,1,0,0,0,1|1,0,1]=4 1726 B9R0.34 C/C=C/C(C)OC(C)CO 34a_200102604097_100012180447 [0,1,0,0,0,1|1,0,1]=4 1727 B9R0.34 C=CC[C@@H](C)OC(C)CC 34a_100000731007_100011215416 [0,1,0,0,0,1|2,0,0]=4 1728 B9R0.34 C=CC[C@@H](C)OC(C)CC 7a_100000731007_100000758301 [0,1,0,0,0,1|2,0,0]=4 1729 B9R0.34 C=CC[C@@H](C)OC(C)CO 34a_100000731007_100012180447 [0,1,0,0,0,1|1,0,1]=4 1730 B9R0.34 C=CC[C@@H](C)OC(C)CO 7a_100000731007_100012180447 [0,1,0,0,0,1|1,0,1]=4 1731 B9R0.34 CC#CC(C)OC(C)CO 34a_100011216543_100012180447 [0,1,0,0,0,1|1,0,1]=4 1732 B9R0.34 CC(CC#N)N[C@H](C)CO 2230a_100000737577_100009813641 [0,1,0,0,0,1|1,0,1]=4 1733 B9R0.34 CC(CC#N)S[C@H](C)CO 62a_100009813641_100016084084 [0,1,0,0,0,1|1,0,1]=4 1734 B9R0.34 CC(CC#N)S[C@H](C)CO 62a_100016084084_100009813641 [0,1,0,0,0,1|1,0,1]=4 1735 B9R0.34 CC(CCO)N[C@H](C)CO 2230a_100000737577_100009893172 [0,1,0,0,0,1|1,0,0]=3 1736 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100009893172_100016084084 [0,1,0,0,0,1|1,0,0]=3 1737 B9R0.34 CC(CCO)S[C@H](C)CO 62a_100016084084_100009893172 [0,1,0,0,0,1|1,0,0]=3 1738 B9R0.34 CC(CF)OC(C)CCO 34a_100016041109_100009893172 [0,1,0,0,0,1|2,0,0]=4 1739 B9R0.34 CC(CF)OC(C)CCO 7a_100016041109_100009893172 [0,1,0,0,0,1|2,0,0]=4 1740 B9R0.34 CC(CN)OC(C)CCO 34a_100000210904_100009893172 [0,1,0,0,0,1|2,0,0]=4 1741 B9R0.34 CC(CO)N[C@@H](C)CC#N 2230a_100016994482_100012180447 [0,1,0,0,0,1|1,0,1]=4 1742 B9R0.34 CC(CO)N[C@H](C)CCO 2230a_100000706166_100012180447 [0,1,0,0,0,1|1,0,0]=3 1743 B9R0.34 CC(CO)N[C@H](C)CCO 34a_100000706166_100012180447 [0,1,0,0,0,1|1,0,0]=3 1744 B9R0.34 CC(CO)OC(C)CCBr 34a_100012276601_100012180447 [0,1,0,0,0,1|1,0,0]=3 1745 B9R0.34 CC(CO)SC(C)CC#N 62a_100012180447_100009813641 [0,1,0,0,0,1|1,0,1]=4 1746 B9R0.34 CC(CO)SC(C)CCO 62a_100012180447_100009893172 [0,1,0,0,0,1|1,0,0]=3 1747 B9R0.34 CCC(=O)N[C@H](C)CCO 240690a_100000706166_100000210414 [0,1,0,0,0,1|0,1,1]=4 1748 B9R0.34 CCC(=O)N[C@H](C)CCO 527a_100000706166_100000210414 [0,1,0,0,0,1|0,1,1]=4 1749 B9R0.34 CCC(=O)N[C@H](C)COC 11a_100000764878_100000210414 [0,1,0,0,0,1|0,1,1]=4 1750 B9R0.34 CCC(=O)N[C@H](C)COC 1626a_100000764878_100000210414 [0,1,0,0,0,1|0,1,1]=4 1751 B9R0.34 CCC(=O)N[C@H](C)COC 240690a_100000764878_100000210414 [0,1,0,0,0,1|0,1,1]=4 1752 B9R0.34 CCC(=O)N[C@H](C)COC 527a_100000764878_100000210414 [0,1,0,0,0,1|0,1,1]=4 1753 B9R0.34 CCC(C)CN(C)CCO 2230a_100000210263_100000748023 [0,1,0,0,0,1|2,0,0]=4 1754 B9R0.34 CCC(C)CN(C)CCO 2230a_100000753921_100000211926 [0,1,0,0,0,1|2,0,0]=4 1755 B9R0.34 CCC(C)CN(C)CCO 269982a_100000210263_100000748023 [0,1,0,0,0,1|2,0,0]=4 1756 B9R0.34 CCC(C)CN(C)CCO 269982a_100000753921_100000211926 [0,1,0,0,0,1|2,0,0]=4 1757 B9R0.34 CCC(C)CN(C)CCO 270004a_100000210263_100000243153 [0,1,0,0,0,1|2,0,0]=4 1758 B9R0.34 CCC(C)CN(C)COC 2230a_100000753921_100000766300 [0,1,0,0,0,1|2,0,0]=4 1759 B9R0.34 CCC(C)CN(C)COC 269982a_100000753921_100000766300 [0,1,0,0,0,1|2,0,0]=4 1760 B9R0.34 CCC(C)NC(C)CC#N 2230a_100000209981_100009813641 [0,1,0,0,0,1|2,0,0]=4 1761 B9R0.34 CCC(C)NC(C)CCO 2230a_100000209981_100009893172 [0,1,0,0,0,1|1,0,0]=3 1762 B9R0.34 CCC(C)NC(C)COC 2230a_100000209981_100000765312 [0,1,0,0,0,1|1,0,0]=3 1763 B9R0.34 CCC(C)NC(C)COC 270004a_100000209981_100000749346 [0,1,0,0,0,1|1,0,0]=3 1764 B9R0.34 CCC(C)NC(C)CSC 270004a_100000209981_100011216314 [0,1,0,0,0,1|1,1,0]=4 1765 B9R0.34 CCC(C)N[C@@H](C)CC#N 2230a_100016994482_100000758301 [0,1,0,0,0,1|2,0,0]=4 1766 B9R0.34 CCC(C)N[C@H](C)CCO 2230a_100000706166_100000758301 [0,1,0,0,0,1|1,0,0]=3 1767 B9R0.34 CCC(C)N[C@H](C)CCO 34a_100000706166_100011215416 [0,1,0,0,0,1|1,0,0]=3 1768 B9R0.34 CCC(C)N[C@H](C)COC 2230a_100000764878_100000758301 [0,1,0,0,0,1|1,0,0]=3 1769 B9R0.34 CCC(C)OC(C)CC#N 7a_100000210228_100009813641 [0,1,0,0,0,1|2,0,0]=4 1770 B9R0.34 CCC(C)OC(C)CCBr 34a_100012276601_100011215416 [0,1,0,0,0,1|2,0,0]=4 1771 B9R0.34 CCC(C)OC(C)CCO 7a_100000210228_100009893172 [0,1,0,0,0,1|1,0,0]=3 1772 B9R0.34 CCC(C)OC(C)COC 7a_100000210228_100000765312 [0,1,0,0,0,1|1,0,0]=3 1773 B9R0.34 CCC(C)O[C@H](C)COC 34a_100011934205_100011215416 [0,1,0,0,0,1|1,0,0]=3 1774 B9R0.34 CCC(C)SC(C)CC#N 62a_100000758301_100009813641 [0,1,0,0,0,1|2,0,0]=4 1775 B9R0.34 CCC(C)SC(C)CC#N 62a_100009813641_100000758301 [0,1,0,0,0,1|2,0,0]=4 1776 B9R0.34 CCC(C)SC(C)CCO 62a_100000758301_100009893172 [0,1,0,0,0,1|1,0,0]=3 1777 B9R0.34 CCC(C)SC(C)CCO 62a_100009893172_100000758301 [0,1,0,0,0,1|1,0,0]=3 1778 B9R0.34 CCC(C)SC(C)COC 62a_100000758301_100000765312 [0,1,0,0,0,1|1,0,0]=3 1779 B9R0.34 CCC(C)SC(C)COC 62a_100000765312_100000758301 [0,1,0,0,0,1|1,0,0]=3 1780 B9R0.34 CCC(O)CN(C)CCO 2230a_100000210263_100011218378 [0,1,0,0,0,1|1,1,0]=4 1781 B9R0.34 CCC(O)CN(C)CCO 269982a_100000210263_100011218378 [0,1,0,0,0,1|1,1,0]=4 1782 B9R0.34 CCCC(=O)C[C@@H](C)CO 1458a_100000211992_100000059175 [0,1,0,0,0,1|0,1,1]=4 1783 B9R0.34 CCCC(=O)N[C@H](C)CO 240690a_100000737577_100000211992 [0,1,0,0,0,1|0,1,1]=4 1784 B9R0.34 CCCC(=O)N[C@H](C)CO 527a_100000737577_100000211992 [0,1,0,0,0,1|0,1,1]=4 1785 B9R0.34 CCCC(C)NC(C)CC 2230a_100000209981_100000766640 [0,1,0,0,0,1|2,0,0]=4 1786 B9R0.34 CCCC(C)NC(C)CC 2230a_100000741246_100000758301 [0,1,0,0,0,1|2,0,0]=4 1787 B9R0.34 CCCC(C)NC(C)CC 270004a_100000209981_100000211909 [0,1,0,0,0,1|2,0,0]=4 1788 B9R0.34 CCCC(C)NC(C)CO 2230a_100000741246_100012180447 [0,1,0,0,0,1|1,0,0]=3 1789 B9R0.34 CCCC(C)N[C@H](C)CF 270004a_100102880703_100000211909 [0,1,0,0,0,1|2,0,0]=4 1790 B9R0.34 CCCC(C)N[C@H](C)CO 2230a_100000737577_100000766640 [0,1,0,0,0,1|1,0,0]=3 1791 B9R0.34 CCCC(C)N[C@H](C)CO 270004a_100000737577_100000211909 [0,1,0,0,0,1|1,0,0]=3 1792 B9R0.34 CCCC(C)OC(C)CC 34a_100000764384_100011215416 [0,1,0,0,0,1|2,0,0]=4 1793 B9R0.34 CCCC(C)OC(C)CC 7a_100000210228_100000766640 [0,1,0,0,0,1|2,0,0]=4 1794 B9R0.34 CCCC(C)OC(C)CC 7a_100000764384_100000758301 [0,1,0,0,0,1|2,0,0]=4 1795 B9R0.34 CCCC(C)OC(C)CF 34a_100016041109_100000766640 [0,1,0,0,0,1|2,0,0]=4 1796 B9R0.34 CCCC(C)OC(C)CF 7a_100016041109_100000766640 [0,1,0,0,0,1|2,0,0]=4 1797 B9R0.34 CCCC(C)OC(C)CN 34a_100000210904_100000766640 [0,1,0,0,0,1|2,0,0]=4 1798 B9R0.34 CCCC(C)OC(C)CO 34a_100000764384_100012180447 [0,1,0,0,0,1|1,0,0]=3 1799 B9R0.34 CCCC(C)OC(C)CO 7a_100000764384_100012180447 [0,1,0,0,0,1|1,0,0]=3 1800 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [0,1,0,0,0,1|2,0,0]=4 1801 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [0,1,0,0,0,1|2,0,0]=4 1802 B9R0.34 CCCC(C)SC(C)CO 62a_100012180447_100000766640 [0,1,0,0,0,1|1,0,0]=3 1803 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100000766640_100016084084 [0,1,0,0,0,1|1,0,0]=3 1804 B9R0.34 CCCC(C)S[C@H](C)CO 62a_100016084084_100000766640 [0,1,0,0,0,1|1,0,0]=3 1805 B9R0.34 CCCN(C)C[C@@H](C)CO 2230a_100000747261_100000059175 [0,1,0,0,0,1|2,0,0]=4 1806 B9R0.34 CCCN(C)C[C@@H](C)CO 269982a_100000747261_100000059175 [0,1,0,0,0,1|2,0,0]=4 1807 B9R0.34 CCNC(=O)N[C@H](C)CO 2708a_100015525214_100000737577 [0,1,0,0,0,1|0,1,1]=4 1808 B9R0.34 CCNC(=O)N[C@H](C)CO 273464a_100000737577_100015525214 [0,1,0,0,0,1|0,1,1]=4 1809 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100000737577_100015525214 [0,1,0,0,0,1|0,1,1]=4 1810 B9R0.34 CCNC(=O)N[C@H](C)CO 512a_100015525214_100000737577 [0,1,0,0,0,1|0,1,1]=4 1811 B9R0.34 CCNC(C)CC(C)CC 2230a_100000763565_100000210202 [0,1,0,0,0,1|2,0,0]=4 1812 B9R0.34 CCNC(C)CC(C)CC 270004a_100015525214_100011710205 [0,1,0,0,0,1|2,0,0]=4 1813 B9R0.34 CC[C@H](C)CN(C)CCO 2230a_100000210263_100009816398 [0,1,0,0,0,1|2,0,0]=4 1814 B9R0.34 CC[C@H](C)CN(C)CCO 269982a_100000210263_100009816398 [0,1,0,0,0,1|2,0,0]=4 1815 B9R0.34 COC(C)SC(C)CCO 62a_100009879195_100009893172 [0,1,0,0,0,1|2,0,0]=4 1816 B9R0.34 COC(C)SC(C)CCO 62a_100009893172_100009879195 [0,1,0,0,0,1|2,0,0]=4 1817 B9R0.34 COCC(=O)C[C@@H](C)CO 1458a_100000210968_100000059175 [0,1,0,0,0,1|0,1,1]=4 1818 B9R0.34 COCC(=O)N[C@H](C)CO 240690a_100000737577_100000210968 [0,1,0,0,0,1|0,1,1]=4 1819 B9R0.34 COCC(=O)N[C@H](C)CO 527a_100000737577_100000210968 [0,1,0,0,0,1|0,1,1]=4 1820 B9R0.34 COCC(C)N[C@H](C)CF 270004a_100102880703_100000749346 [0,1,0,0,0,1|2,0,0]=4 1821 B9R0.34 COCC(C)N[C@H](C)CO 2230a_100000737577_100000765312 [0,1,0,0,0,1|1,0,0]=3 1822 B9R0.34 COCC(C)N[C@H](C)CO 270004a_100000737577_100000749346 [0,1,0,0,0,1|1,0,0]=3 1823 B9R0.34 COCC(C)OC(C)CF 34a_100016041109_100000765312 [0,1,0,0,0,1|2,0,0]=4 1824 B9R0.34 COCC(C)OC(C)CF 7a_100016041109_100000765312 [0,1,0,0,0,1|2,0,0]=4 1825 B9R0.34 COCC(C)OC(C)CN 34a_100000210904_100000765312 [0,1,0,0,0,1|2,0,0]=4 1826 B9R0.34 COCC(C)SC(C)CO 62a_100012180447_100000765312 [0,1,0,0,0,1|1,0,0]=3 1827 B9R0.34 COCC(C)SC(C)OC 62a_100000765312_100009879195 [0,1,0,0,0,1|2,0,0]=4 1828 B9R0.34 COCC(C)SC(C)OC 62a_100009879195_100000765312 [0,1,0,0,0,1|2,0,0]=4 1829 B9R0.34 COCC(C)S[C@H](C)CO 62a_100000765312_100016084084 [0,1,0,0,0,1|1,0,0]=3 1830 B9R0.34 COCC(C)S[C@H](C)CO 62a_100016084084_100000765312 [0,1,0,0,0,1|1,0,0]=3 1831 B9R0.34 COC[C@@H](C)NC(C)CO 2230a_100000764878_100012180447 [0,1,0,0,0,1|1,0,0]=3 1832 B9R0.34 COC[C@@H](C)OC(C)CO 34a_100011934205_100012180447 [0,1,0,0,0,1|1,0,0]=3 1833 B9R0.34 CSCC(=O)C[C@@H](C)CO 1458a_100000184570_100000059175 [0,1,0,0,0,1|0,1,1]=4 1834 B9R0.34 CSCC(=O)N[C@H](C)CO 240690a_100000737577_100000184570 [0,1,0,0,0,1|0,1,1]=4 1835 B9R0.34 CSCC(=O)N[C@H](C)CO 527a_100000737577_100000184570 [0,1,0,0,0,1|0,1,1]=4 1836 B9R0.34 CSCC(C)N[C@H](C)CF 270004a_100102880703_100011216314 [0,1,0,0,0,1|2,0,0]=4 1837 B9R0.34 CSCC(C)N[C@H](C)CO 270004a_100000737577_100011216314 [0,1,0,0,0,1|1,0,0]=3 1838 B9R0.34 C[C@@H](CO)CC(=O)CCO 1458a_100011216618_100000059175 [0,1,0,0,0,1|0,1,1]=4 1839 B9R0.34 C[C@@H](CO)CN(C)CCO 2230a_100000210263_100000059175 [0,1,0,0,0,1|2,0,0]=4 1840 B9R0.34 C[C@@H](CO)CN(C)CCO 269982a_100000210263_100000059175 [0,1,0,0,0,1|2,0,0]=4 1841 B9R0.34 C[C@H](CO)NC(=O)CCO 240690a_100000737577_100011216618 [0,1,0,0,0,1|0,1,1]=4 1842 B9R0.42 C=C(C)C(C)N[C@H](C)CO 269862a_100000737577_100011216138 [0,1,0,0,0,1|1,0,1]=4 1843 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|1,0,1]=4 1844 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|1,0,1]=4 1845 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|1,0,1]=4 1846 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|1,0,1]=4 1847 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|1,0,1]=4 1848 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,1|0,1,1]=4 1849 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,1,0,0,0,1|0,1,1]=4 1850 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,1,0,0,0,1|0,1,1]=4 1851 B9R0.42 CC(C)N(C)C[C@@H](C)CO 269982a_200000211004_100000059175 [0,1,0,0,0,1|2,0,0]=4 1852 B9R0.42 CC(CO)NC(C)C(C)C 2230a_100000211541_100012180447 [0,1,0,0,0,1|1,0,0]=3 1853 B9R0.42 CC(CO)OC(C)C(C)C 7a_100000748068_100012180447 [0,1,0,0,0,1|1,0,0]=3 1854 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,0,1|0,1,1]=4 1855 B9R0.42 CC(F)C(=O)N[C@H](C)CO 240690a_100000737577_100000062450 [0,1,0,0,0,1|0,1,1]=4 1856 B9R0.42 CC(F)C(=O)N[C@H](C)CO 527a_100000737577_100000062450 [0,1,0,0,0,1|0,1,1]=4 1857 B9R0.42 CCC(C)NC(C)C(C)C 2230a_100000211541_100000758301 [0,1,0,0,0,1|2,0,0]=4 1858 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|1,0,1]=4 1859 B9R0.42 CCC(C)OC(C)C(C)C 7a_100000748068_100000758301 [0,1,0,0,0,1|2,0,0]=4 1860 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,1|0,1,1]=4 1861 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,1|0,1,1]=4 1862 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,0,1|0,1,1]=4 1863 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,0,1|0,1,1]=4 1864 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,2,0,0,0,0|0,1,1]=4 1865 B9R0.6 CC(C)C(C)N(C)CCO 2230a_100000228512_100000211926 [0,2,0,0,0,0|2,0,0]=4 1866 B9R0.6 CC(C)C(C)N(C)CCO 269982a_100000228512_100000211926 [0,2,0,0,0,0|2,0,0]=4 1867 B9R0.6 CC(C)N(C)C(C)CCO 2230a_100000731037_100000210206 [0,2,0,0,0,0|2,0,0]=4 1868 B9R0.6 CC(C)N(C)C(C)CCO 269982a_100000731037_100000210206 [0,2,0,0,0,0|2,0,0]=4 1869 B9R0.6 CC(C)N(C)C(C)CCO 269982a_200000211004_100009893172 [0,2,0,0,0,0|2,0,0]=4 1870 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,2,0,0,0,0|0,1,1]=4 1871 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,2,0,0,0,0|0,1,1]=4 1872 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,2,0,0,0,0|0,1,1]=4 1873 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,2,0,0,0,0|0,1,1]=4 1874 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,2,0,0,0,0|0,1,1]=4 1875 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,2,0,0,0,0|0,1,1]=4 1876 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,2,0,0,0,0|0,1,1]=4 1877 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,2,0,0,0,0|0,1,1]=4 1878 B9R0.6 COCC(C)N(C)C(C)C 269982a_200000211004_100000765312 [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.6 COCC(C)N(C)C(C)C 270004a_200000211004_100000749346 [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.6 COCN(C)C(C)C(C)C 2230a_100000228512_100000766300 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.6 COCN(C)C(C)C(C)C 269982a_100000228512_100000766300 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.25 CC(CO)N(C)C(C)(C)C 269982a_100000693034_100000210625 [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.25 C[C@H](CO)N(C)C(C)(C)C 269982a_100011215553_100016084084 [0,2,0,0,0,0|2,0,0]=4 1884 B9R0.29 CCN(C(=O)C)C(C)CO 240690a_100000731049_100015343762 [0,2,0,0,0,0|1,1,0]=4 1885 B9R0.29 CCN(C(=O)C)C(C)CO 527a_100000731049_100103153847 [0,2,0,0,0,0|1,1,0]=4 1886 B9R0.29 CCN(C(C)C)C(C)CO 2230a_100000223864_100012180447 [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.29 CCN(C(C)C)C(C)CO 2230a_100000731049_100000210206 [0,2,0,0,0,0|2,0,0]=4 1888 B9R0.29 CCN(C(C)C)C(C)CO 269982a_100000731049_100000210206 [0,2,0,0,0,0|2,0,0]=4 1889 B9R0.29 CCN(C(C)C)[C@H](C)CO 269982a_100000223864_100016084084 [0,2,0,0,0,0|2,0,0]=4 1890 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|1,0,1]=4 1891 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|1,0,1]=4 1892 B9R0.32 CC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000210206 [0,2,0,0,0,0|0,1,1]=4 1893 B9R0.32 CC(C)N(C)C(C)(C)CO 269982a_100015204102_100000210206 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.8 C#CCCN(C)C(C)CO 2230a_100000693034_100000688953 [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.8 C#CCCN(C)C(C)CO 269982a_100000693034_100000730999 [0,2,0,0,0,0|2,0,0]=4 1896 B9R0.8 C#CCOC(C)C(C)CC 7a_100011215189_100000038162 [0,2,0,0,0,0|2,0,0]=4 1897 B9R0.8 C/C=C/CN(C)C(C)CO 269982a_100000693034_100102629194 [0,2,0,0,0,0|2,0,0]=4 1898 B9R0.8 C=CCCN(C)C(C)CO 2230a_100000693034_100000754431 [0,2,0,0,0,0|2,0,0]=4 1899 B9R0.8 C=CCCN(C)C(C)CO 2230a_100020639649_100012180447 [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.8 C=CCCN(C)C(C)CO 269982a_100000693034_100000754431 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.8 C=CCCN(C)[C@H](C)CO 269982a_100020639649_100016084084 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.8 C=CCNC(C)C(C)CC 270004a_100020586998_100000210599 [0,2,0,0,0,0|2,0,0]=4 1903 B9R0.8 C=CCOC(C)C(C)CC 7a_100011215189_100015514636 [0,2,0,0,0,0|2,0,0]=4 1904 B9R0.8 CC#CCN(C)C(C)CO 2230a_100000693034_100000748600 [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.8 CC(CO)N(C)CCC#N 2230a_100000184479_100012180447 [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.8 CC(CO)N(C)CCC#N 2230a_100000693034_100011215226 [0,2,0,0,0,0|2,0,0]=4 1907 B9R0.8 CC(CO)N(C)CCC#N 269982a_100000693034_100011215226 [0,2,0,0,0,0|2,0,0]=4 1908 B9R0.8 CC(CO)N(C)CCCF 2230a_100000693034_100011934791 [0,2,0,0,0,0|2,0,0]=4 1909 B9R0.8 CC(CO)N(C)CCCF 269982a_100000693034_100011934791 [0,2,0,0,0,0|2,0,0]=4 1910 B9R0.8 CC(CO)N(C)CCCO 2230a_100000213112_100012180447 [0,2,0,0,0,0|2,0,0]=4 1911 B9R0.8 CC(CO)N(C)CCCO 2230a_100000693034_100000230001 [0,2,0,0,0,0|2,0,0]=4 1912 B9R0.8 CC(CO)N(C)CCCO 269982a_100000693034_100011215043 [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.8 CC=CCN(C)C(C)CO 2230a_100000693034_100000070051 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.8 CCC(=O)C(C)NCCO 2230a_100016997473_100000742827 [0,2,0,0,0,0|0,1,1]=4 1915 B9R0.8 CCC(=O)C(C)SCCO 62a_100000211926_100000742827 [0,2,0,0,0,0|0,1,1]=4 1916 B9R0.8 CCC(=O)C(C)SCCO 62a_100000742827_100000211926 [0,2,0,0,0,0|0,1,1]=4 1917 B9R0.8 CCC(=O)C(C)SCOC 62a_100000742827_100000766300 [0,2,0,0,0,0|0,1,1]=4 1918 B9R0.8 CCC(=O)C(C)SCOC 62a_100000766300_100000742827 [0,2,0,0,0,0|0,1,1]=4 1919 B9R0.8 CCC(C)C(C)NCCF 269862a_100000724931_100000210599 [0,2,0,0,0,0|2,0,0]=4 1920 B9R0.8 CCC(C)C(C)NCCO 269862a_100000210304_100000210599 [0,2,0,0,0,0|1,0,0]=3 1921 B9R0.8 CCC(C)C(C)NCCO 270004a_100000210304_100000210599 [0,2,0,0,0,0|1,0,0]=3 1922 B9R0.8 CCC(C)C(C)OCC#N 7a_100011215189_100011215382 [0,2,0,0,0,0|2,0,0]=4 1923 B9R0.8 CCC(C)C(C)OCC=O 7a_100011215189_200015260668 [0,2,0,0,0,0|1,0,1]=4 1924 B9R0.8 CCC(C)C(C)OCCF 7a_100011215189_100011217306 [0,2,0,0,0,0|2,0,0]=4 1925 B9R0.8 CCC(C)C(C)OCCO 7a_100011215189_100000211926 [0,2,0,0,0,0|1,0,0]=3 1926 B9R0.8 CCC(C)N(C)CCCO 2230a_100000213112_100000758301 [0,2,0,0,0,0|2,0,0]=4 1927 B9R0.8 CCC(C)N(C)CCCO 2230a_100000741768_100000230001 [0,2,0,0,0,0|2,0,0]=4 1928 B9R0.8 CCC(C)N(C)CCCO 269982a_100000213112_100000758301 [0,2,0,0,0,0|2,0,0]=4 1929 B9R0.8 CCC(C)N(C)CCCO 269982a_100000741768_100011215043 [0,2,0,0,0,0|2,0,0]=4 1930 B9R0.8 CCC(C)N(C)CCOC 2230a_100000741768_100011201679 [0,2,0,0,0,0|2,0,0]=4 1931 B9R0.8 CCC(C)N(C)CCOC 2230a_100000743101_100000758301 [0,2,0,0,0,0|2,0,0]=4 1932 B9R0.8 CCC(C)N(C)CCOC 2230a_200000740884_200000210301 [0,2,0,0,0,0|2,0,0]=4 1933 B9R0.8 CCC(C)N(C)CCOC 269982a_100000741768_100000233755 [0,2,0,0,0,0|2,0,0]=4 1934 B9R0.8 CCC(C)N(C)CCOC 269982a_100000743101_100000758301 [0,2,0,0,0,0|2,0,0]=4 1935 B9R0.8 CCC(C)N(C)CCOC 269982a_200000740884_200000210301 [0,2,0,0,0,0|2,0,0]=4 1936 B9R0.8 CCC(C)N([13CH3])CCOC 2230a_200000740884_200025704644 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.8 CCC(C)N([13CH3])CCOC 269982a_200000740884_200025704644 [0,2,0,0,0,0|2,0,0]=4 1938 B9R0.8 CCCCN(C)C(C)CO 2230a_100000207549_100012180447 [0,2,0,0,0,0|2,0,0]=4 1939 B9R0.8 CCCCN(C)C(C)CO 2230a_100000693034_100000210211 [0,2,0,0,0,0|2,0,0]=4 1940 B9R0.8 CCCCN(C)C(C)CO 269982a_100000693034_100000210211 [0,2,0,0,0,0|2,0,0]=4 1941 B9R0.8 CCCCN(C)[C@H](C)CO 269982a_100000207549_100016084084 [0,2,0,0,0,0|2,0,0]=4 1942 B9R0.8 CCCNC(C)C(C)CC 269862a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 1943 B9R0.8 CCCNC(C)C(C)CC 270004a_100020643023_100000210599 [0,2,0,0,0,0|2,0,0]=4 1944 B9R0.8 CCCOC(C)C(C)CC 7a_100011215189_100000210303 [0,2,0,0,0,0|2,0,0]=4 1945 B9R0.8 CCN(C)C(C)COCF 7a_100000732741_100015361967 [0,2,0,0,0,0|2,0,0]=4 1946 B9R0.8 CCNN=C(C)C(C)CO 4a_100000756455_100000032740 [0,2,0,0,0,0|1,0,1]=4 1947 B9R0.8 CCOCC(C)N(C)CC 7a_100000732741_100000210202 [0,2,0,0,0,0|2,0,0]=4 1948 B9R0.8 CCOCN(C)C(C)CC 269982a_100000741768_100000739092 [0,2,0,0,0,0|2,0,0]=4 1949 B9R0.8 CCOCN(C)C(C)CO 269982a_100000693034_100000739092 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.8 COCCN(C)C(C)CO 2230a_100000693034_100011201679 [0,2,0,0,0,0|2,0,0]=4 1951 B9R0.8 COCCN(C)C(C)CO 2230a_100000743101_100012180447 [0,2,0,0,0,0|2,0,0]=4 1952 B9R0.8 COCCN(C)C(C)CO 269982a_100000693034_100000233755 [0,2,0,0,0,0|2,0,0]=4 1953 B9R0.8 COCCN(C)[C@H](C)CO 269982a_100000743101_100016084084 [0,2,0,0,0,0|2,0,0]=4 1954 B9R0.8 CSCCN(C)C(C)CO 2230a_100000686725_100012180447 [0,2,0,0,0,0|2,0,0]=4 1955 B9R0.8 CSCCN(C)C(C)CO 2230a_100000693034_100000751147 [0,2,0,0,0,0|2,0,0]=4 1956 B9R0.8 CSCCN(C)C(C)CO 269982a_100000693034_100000212216 [0,2,0,0,0,0|2,0,0]=4 1957 B9R0.8 CSCCN(C)[C@H](C)CO 269982a_100000686725_100016084084 [0,2,0,0,0,0|2,0,0]=4 1958 B9R0.8 C[C@H](CO)N(C)CCCO 269982a_100000213112_100016084084 [0,2,0,0,0,0|2,0,0]=4 1959 B9R0.12 C#CCN(CC)C(C)CO 2230a_100000731049_100000038162 [0,2,0,0,0,0|2,0,0]=4 1960 B9R0.12 C#CCN(CC)C(C)CO 2230a_100000744766_100012180447 [0,2,0,0,0,0|2,0,0]=4 1961 B9R0.12 C#CCN(CC)[C@H](C)CO 269982a_100000744766_100016084084 [0,2,0,0,0,0|2,0,0]=4 1962 B9R0.12 C=CCN(CC)C(C)CO 2230a_100000731049_100000210623 [0,2,0,0,0,0|2,0,0]=4 1963 B9R0.12 C=CCN(CC)C(C)CO 269982a_100000731049_100000210623 [0,2,0,0,0,0|2,0,0]=4 1964 B9R0.12 CCC(C)N(CC)CCO 2230a_100000210973_100000758301 [0,2,0,0,0,0|2,0,0]=4 1965 B9R0.12 CCC(C)N(CC)CCO 2230a_100000732650_100000211926 [0,2,0,0,0,0|2,0,0]=4 1966 B9R0.12 CCC(C)N(CC)CCO 269982a_100000210973_100000758301 [0,2,0,0,0,0|2,0,0]=4 1967 B9R0.12 CCC(C)N(CC)CCO 269982a_100000732650_100000211926 [0,2,0,0,0,0|2,0,0]=4 1968 B9R0.12 CCC(C)N(CC)COC 2230a_100000732650_100000766300 [0,2,0,0,0,0|2,0,0]=4 1969 B9R0.12 CCC(C)N(CC)COC 269982a_100000732650_100000766300 [0,2,0,0,0,0|2,0,0]=4 1970 B9R0.12 CCC(C)N(CC)CSC 2230a_100000732650_100011218213 [0,2,0,0,0,0|2,0,0]=4 1971 B9R0.12 CCC(C)N(CC)CSC 269982a_100000732650_100011218213 [0,2,0,0,0,0|2,0,0]=4 1972 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [0,2,0,0,0,0|2,0,0]=4 1973 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [0,2,0,0,0,0|1,1,0]=4 1974 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [0,2,0,0,0,0|1,1,0]=4 1975 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [0,2,0,0,0,0|1,1,0]=4 1976 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [0,2,0,0,0,0|1,1,0]=4 1977 B9R0.12 CCCN(CC)C(C)CO 2230a_100000226822_100012180447 [0,2,0,0,0,0|2,0,0]=4 1978 B9R0.12 CCCN(CC)C(C)CO 2230a_100000731049_100000210303 [0,2,0,0,0,0|2,0,0]=4 1979 B9R0.12 CCCN(CC)C(C)CO 2230a_100011303929_100000210202 [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.12 CCCN(CC)C(C)CO 269982a_100000731049_100000210303 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.12 CCCN(CC)C(C)CO 269982a_100011303929_100000204670 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.12 CCCN(CC)[C@H](C)CO 269982a_100000226822_100016084084 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.12 CCCN(CF)C(C)CO 269982a_100011303929_100015361967 [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.12 CCN(CC#N)C(C)CO 2230a_100000731049_100011215382 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.12 CCN(CC#N)C(C)CO 269982a_100000731049_100011214920 [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.12 CCN(CC=O)C(C)CO 2230a_100000731049_200015260668 [0,2,0,0,0,0|1,1,0]=4 1987 B9R0.12 CCN(CC=O)C(C)CO 269982a_100000731049_200015260668 [0,2,0,0,0,0|1,1,0]=4 1988 B9R0.12 CCN(CCF)C(C)CO 2230a_100000731049_100011217306 [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.12 CCN(CCF)C(C)CO 269982a_100000731049_100011217306 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.12 CCN(CCO)C(C)CO 2230a_100000210973_100012180447 [0,2,0,0,0,0|1,1,0]=4 1991 B9R0.12 CCN(CCO)C(C)CO 2230a_100000731049_100000211926 [0,2,0,0,0,0|1,1,0]=4 1992 B9R0.12 CCN(CCO)C(C)CO 269982a_100000731049_100000211926 [0,2,0,0,0,0|1,1,0]=4 1993 B9R0.12 CCN(CCO)[C@H](C)CO 269982a_100000210973_100016084084 [0,2,0,0,0,0|1,1,0]=4 1994 B9R0.12 CCN(COC)C(C)CO 2230a_100000731049_100000766300 [0,2,0,0,0,0|1,1,0]=4 1995 B9R0.12 CCN(COC)C(C)CO 269982a_100000731049_100000766300 [0,2,0,0,0,0|1,1,0]=4 1996 B9R0.12 CCN(CSC)C(C)CO 2230a_100000731049_100011218213 [0,2,0,0,0,0|1,0,0]=3 1997 B9R0.12 CCN(CSC)C(C)CO 269982a_100000731049_100011218213 [0,2,0,0,0,0|1,0,0]=3 1998 B9R0.12 CCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210202 [0,2,0,0,0,0|1,0,0]=3 1999 B9R0.19 CC(C)(CO)C(=O)CCF 1458a_100000749806_100011217306 [0,2,0,0,0,0|0,1,1]=4 2000 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [0,2,0,0,0,0|0,1,1]=4 2001 B9R0.19 CCC(C)(C)N(C)CCO 2230a_200000755171_100000211926 [0,2,0,0,0,0|2,0,0]=4 2002 B9R0.19 CCC(C)(C)N(C)CCO 269982a_100000210263_100000032637 [0,2,0,0,0,0|2,0,0]=4 2003 B9R0.19 CCC(C)(C)N(C)CCO 269982a_200000755171_100000211926 [0,2,0,0,0,0|2,0,0]=4 2004 B9R0.19 CCC(C)(C)N(C)COC 2230a_200000755171_100000766300 [0,2,0,0,0,0|2,0,0]=4 2005 B9R0.19 CCC(C)(C)N(C)COC 269982a_200000755171_100000766300 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.19 CCCC(=O)C(C)(C)CO 1458a_100000749806_100000210303 [0,2,0,0,0,0|0,1,1]=4 2007 B9R0.19 CCCN(C)C(C)(C)CO 269982a_100015204102_100000210303 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.19 CCNC(=O)C(C)(C)CO 240690a_100015525214_100000749806 [0,2,0,0,0,0|0,1,1]=4 2009 B9R0.19 CCNC(=O)C(C)(C)CO 527a_100015525214_100000749806 [0,2,0,0,0,0|0,1,1]=4 2010 B9R0.19 CN(CCF)C(C)(C)CO 269982a_100015204102_100011217306 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.19 CN(CCO)C(C)(C)CO 269982a_100015204102_100000211926 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.19 COCN(C)C(C)(C)CO 269982a_100015204102_100000766300 [0,2,0,0,0,0|2,0,0]=4 2013 B9R0.19 CSCN(C)C(C)(C)CO 269982a_100015204102_100011218213 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.23 C=C(C)CN(C)C(C)CO 2230a_100000225649_100012180447 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.23 C=C(C)CN(C)C(C)CO 2230a_100000693034_100000748629 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.23 C=C(C)CN(C)C(C)CO 269982a_100000693034_100000748629 [0,2,0,0,0,0|2,0,0]=4 2017 B9R0.23 C=C(C)CN(C)[C@H](C)CO 269982a_100000225649_100016084084 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000693034_100000210760 [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.23 CC(C)CN(C)C(C)CO 2230a_100000747067_100012180447 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.23 CC(C)CN(C)C(C)CO 269982a_100000693034_100000210624 [0,2,0,0,0,0|2,0,0]=4 2021 B9R0.23 CC(C)CN(C)C(C)CO 270004a_100000693034_100000210432 [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.23 CC(C)CN(C)[C@H](C)CO 269982a_100000747067_100016084084 [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.23 CC(CO)N(C)CC(F)F 2230a_100000693034_100011934356 [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.23 CC(CO)N(C)CC(F)F 269982a_100000693034_100011934356 [0,2,0,0,0,0|2,0,0]=4 2025 B9R0.23 CC(CO)N(C)C[C@@H](C)O 2230a_100000693034_100009817552 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.23 CC(CO)N(C)C[C@@H](C)O 269982a_100000693034_100009817552 [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000227577_100012180447 [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.23 CC(O)CN(C)C(C)CO 2230a_100000693034_100011218427 [0,2,0,0,0,0|2,0,0]=4 2029 B9R0.23 CC(O)CN(C)C(C)CO 269982a_100000693034_100011218427 [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.23 CC(O)CN(C)[C@H](C)CO 269982a_100000227577_100016084084 [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.23 CCC(C)C(C)OC(C)C 7a_100011215189_100000210206 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000227577_100000758301 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.23 CCC(C)N(C)CC(C)O 2230a_100000741768_100011218427 [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000227577_100000758301 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.23 CCC(C)N(C)CC(C)O 269982a_100000741768_100011218427 [0,2,0,0,0,0|2,0,0]=4 2037 B9R0.23 CCC(C)N(C)C[C@@H](C)O 2230a_100000741768_100009817552 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.23 CCC(C)N(C)C[C@@H](C)O 269982a_100000741768_100009817552 [0,2,0,0,0,0|2,0,0]=4 2039 B9R0.35 CC(CCO)C(=O)CCO 1458a_100011216618_100009893172 [0,2,0,0,0,0|0,1,1]=4 2040 B9R0.35 CC(CCO)N(C)CCF 2230a_100000731037_100011217306 [0,2,0,0,0,0|2,0,0]=4 2041 B9R0.35 CC(CCO)N(C)CCF 269982a_100000731037_100011217306 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.35 CC(CCO)N(C)CCO 2230a_100000210263_100009893172 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.35 CC(CCO)N(C)CCO 2230a_100000731037_100000211926 [0,2,0,0,0,0|2,0,0]=4 2044 B9R0.35 CC(CCO)N(C)CCO 269982a_100000210263_100009893172 [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.35 CC(CCO)N(C)CCO 269982a_100000731037_100000211926 [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.35 CCCC(=O)C(C)CCO 1458a_100000211992_100009893172 [0,2,0,0,0,0|0,1,1]=4 2047 B9R0.35 CCCC(=O)C(C)COC 1458a_100000211992_100000765312 [0,2,0,0,0,0|0,1,1]=4 2048 B9R0.35 CCCC(=O)C(C)COC 1458a_100000751857_100000210303 [0,2,0,0,0,0|0,1,1]=4 2049 B9R0.35 CCCC(C)C(C)NCC 270004a_100015525214_100011216282 [0,2,0,0,0,0|2,0,0]=4 2050 B9R0.35 CCCC(C)C(C)OCC 34a_100000708338_100000210202 [0,2,0,0,0,0|2,0,0]=4 2051 B9R0.35 CCCC(C)C(C)OCC 7a_100000708338_100000210202 [0,2,0,0,0,0|2,0,0]=4 2052 B9R0.35 CCCC(C)C(C)OCF 34a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 2053 B9R0.35 CCCC(C)C(C)OCF 7a_100000708338_100015361967 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.35 CCCC(C)N(C)CCO 2230a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.35 CCCC(C)N(C)CCO 269982a_100000210263_100000766640 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.35 CCCC(C)N(C)CCO 270004a_100000210263_100000211909 [0,2,0,0,0,0|2,0,0]=4 2057 B9R0.35 CCCN(C)C(C)CCO 2230a_100000731037_100000210303 [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.35 CCCN(C)C(C)CCO 2230a_100000747261_100009893172 [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.35 CCCN(C)C(C)CCO 269982a_100000731037_100000210303 [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.35 CCCN(C)C(C)CCO 269982a_100000747261_100009893172 [0,2,0,0,0,0|2,0,0]=4 2061 B9R0.35 CCCN(C)C(C)COC 2230a_100000747261_100000765312 [0,2,0,0,0,0|2,0,0]=4 2062 B9R0.35 CCCN(C)C(C)COC 269982a_100000747261_100000765312 [0,2,0,0,0,0|2,0,0]=4 2063 B9R0.35 CCCN(C)C(C)COC 270004a_100000747261_100000749346 [0,2,0,0,0,0|2,0,0]=4 2064 B9R0.35 CCNC(=O)C(C)COC 11a_100015525214_100000751857 [0,2,0,0,0,0|0,1,1]=4 2065 B9R0.35 CCNC(=O)C(C)COC 240690a_100015525214_100000751857 [0,2,0,0,0,0|0,1,1]=4 2066 B9R0.35 CCNC(=O)C(C)COC 527a_100015525214_100000751857 [0,2,0,0,0,0|0,1,1]=4 2067 B9R0.35 COCC(=O)C(C)CCO 1458a_100000210968_100009893172 [0,2,0,0,0,0|0,1,1]=4 2068 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,2,0,0,0,0|0,1,1]=4 2069 B9R0.35 COCC(C)C(=O)CCF 1458a_100000751857_100011217306 [0,2,0,0,0,0|0,1,1]=4 2070 B9R0.35 COCC(C)C(=O)CCO 1458a_100000751857_100000211926 [0,2,0,0,0,0|0,1,1]=4 2071 B9R0.35 COCC(C)C(=O)CCO 1458a_100011216618_100000765312 [0,2,0,0,0,0|0,1,1]=4 2072 B9R0.35 COCC(C)C(=O)CSC 1458a_100000184570_100000765312 [0,2,0,0,0,0|0,1,1]=4 2073 B9R0.35 COCC(C)N(C)CCO 2230a_100000210263_100000765312 [0,2,0,0,0,0|2,0,0]=4 2074 B9R0.35 COCC(C)N(C)CCO 269982a_100000210263_100000765312 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.35 COCC(C)N(C)CCO 270004a_100000210263_100000749346 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.35 COCN(C)C(C)CCO 2230a_100000731037_100000766300 [0,2,0,0,0,0|2,0,0]=4 2077 B9R0.35 COCN(C)C(C)CCO 269982a_100000731037_100000766300 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.35 CSCC(=O)C(C)CCO 1458a_100000184570_100009893172 [0,2,0,0,0,0|0,1,1]=4 2079 B9R0.35 CSCC(C)N(C)CCO 270004a_100000210263_100011216314 [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.35 CSCN(C)C(C)CCO 2230a_100000731037_100011218213 [0,2,0,0,0,0|2,0,0]=4 2081 B9R0.35 CSCN(C)C(C)CCO 269982a_100000731037_100011218213 [0,2,0,0,0,0|2,0,0]=4 2082 B9R0.37 CCC(CC)N(C)CCO 2230a_100000737045_100000211926 [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.37 CCC(CC)N(C)CCO 269982a_100000210263_100000210505 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.37 CCC(CC)N(C)CCO 269982a_100000737045_100000211926 [0,2,0,0,0,0|2,0,0]=4 2085 B9R0.37 CCC(CC)N(C)CCO 270004a_100000210263_100000210860 [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.37 CCC(CC)N(C)COC 2230a_100000737045_100000766300 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.37 CCC(CC)N(C)COC 269982a_100000737045_100000766300 [0,2,0,0,0,0|2,0,0]=4 2088 B9R0.37 CCCC(C)C(CC)OC 34a_200011218412_200000210301 [0,2,0,0,0,0|1,1,0]=4 2089 B9R0.37 CCCC(C)C(CC)OC 7a_200011218412_200000210301 [0,2,0,0,0,0|1,1,0]=4 2090 B9R0.37 CCCC(C)C(CC)O[13CH3] 34a_200011218412_200025704644 [0,2,0,0,0,0|1,1,0]=4 2091 B9R0.37 CCCC(C)C(CC)O[13CH3] 7a_200011218412_200025704644 [0,2,0,0,0,0|1,1,0]=4 2092 B9R0.37 CCN(CC)C(C)CCO 2230a_100000724800_100009893172 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.37 CCN(CC)C(C)CCO 2230a_100011935059_100000210202 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.37 CCN(CC)C(C)CCO 269956a_100000042499_100009893172 [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.37 CCN(CC)C(C)CCO 269982a_100000724800_100009893172 [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.37 CCN(CC)C(C)CCO 269982a_100011935059_100000204670 [0,2,0,0,0,0|2,0,0]=4 2097 B9R0.37 CCN(CC)C(C)COC 2230a_100000724800_100000765312 [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.37 CCN(CC)C(C)COC 269956a_100000042499_100000765312 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.37 CCN(CC)C(C)COC 269982a_100000724800_100000765312 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.37 CCN(CC)C(C)COC 270004a_100000724800_100000749346 [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.37 CCN(CF)C(C)CCO 269982a_100011935059_100015361967 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.37 CCNC(C)C(CC)CC 269862a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.37 CCNC(C)C(CC)CC 270004a_100015525214_100011393642 [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.60 CCN(C)C(C)(C)COC 2230a_100000734271_100000210202 [0,2,0,0,0,0|2,0,0]=4 2105 B9R0.60 CCN(C)C(C)(C)COC 269982a_100000734271_100000204670 [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.69 CCC(=O)C(C)(CO)CO 1458a_100000693232_100000210202 [0,2,0,0,0,0|0,1,1]=4 2107 B9R0.69 CCC(C)C(C)(CC)OC 7a_200011218298_200000210301 [0,2,0,0,0,0|1,1,0]=4 2108 B9R0.69 CCC(C)C(C)(CC)O[13CH3] 7a_200011218298_200025704644 [0,2,0,0,0,0|1,1,0]=4 2109 B9R0.71 CCN(CC)C(C)(C)CO 269982a_100000747347_100000204670 [0,2,0,0,0,0|2,0,0]=4 2110 B9R0.71 CCN(CF)C(C)(C)CO 269982a_100000747347_100015361967 [0,2,0,0,0,0|2,0,0]=4 2111 B9R0.36 CCC(CC)C(CC)OC 34a_200011216187_200000210301 [0,2,0,0,0,0|1,1,0]=4 2112 B9R0.36 CCC(CC)C(CC)OC 7a_200011216187_200000210301 [0,2,0,0,0,0|1,1,0]=4 2113 B9R0.36 CCC(CC)C(CC)O[13CH3] 34a_200011216187_200025704644 [0,2,0,0,0,0|1,1,0]=4 2114 B9R0.36 CCC(CC)C(CC)O[13CH3] 7a_200011216187_200025704644 [0,2,0,0,0,0|1,1,0]=4 2115 B7R1.1 CCN1CCCC1 2230a_100000188435_100000210202 [1,0,0,1,0,0|2,0,0]=4 2116 B7R1.1 CCN1CCCC1 269982a_100000188435_100000204670 [1,0,0,1,0,0|2,0,0]=4 2117 B7R1.1 CNC1CCCC1 2230a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 2118 B7R1.1 CNC1CCCC1 2230a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 2119 B7R1.1 CNC1CCCC1 270004a_106832991635_100000210133 [1,0,0,1,0,0|2,0,0]=4 2120 B7R1.1 CNC1CCCC1 34a_100000211070_200000210301 [1,0,0,1,0,0|2,0,0]=4 2121 B7R1.1 CNC1CCCC1 34a_100102657272_100000179811 [1,0,0,1,0,0|2,0,0]=4 2122 B7R1.1 CNC1CCCC1 7a_106832991635_100000179811 [1,0,0,1,0,0|2,0,0]=4 2123 B7R1.1 CNC1CCOC1 2230a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 2124 B7R1.1 CNC1CCOC1 270004a_106832991635_100000752484 [1,0,0,1,0,0|2,0,0]=4 2125 B7R1.1 CNC1CCOC1 34a_100102657272_100000690089 [1,0,0,1,0,0|2,0,0]=4 2126 B7R1.1 CNC1CCOC1 7a_106832991635_100000731011 [1,0,0,1,0,0|2,0,0]=4 2127 B7R1.1 CN[C@@H]1CCOC1 2230a_200015188469_200000210301 [1,0,0,1,0,0|2,0,0]=4 2128 B7R1.1 CN[C@H]1CCOC1 2230a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 2129 B7R1.1 CN[C@H]1CCOC1 34a_100015188467_200000210301 [1,0,0,1,0,0|2,0,0]=4 2130 B7R1.1 COC1CCCC1 34a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 2131 B7R1.1 COC1CCCC1 34a_100138415774_100000179811 [1,0,0,1,0,0|2,0,0]=4 2132 B7R1.1 COC1CCCC1 7a_100000210269_200000210301 [1,0,0,1,0,0|2,0,0]=4 2133 B7R1.1 COC1CCOC1 34a_100138415774_100000690089 [1,0,0,1,0,0|2,0,0]=4 2134 B7R1.1 CO[C@H]1CCOC1 34a_100000717292_200000210301 [1,0,0,1,0,0|2,0,0]=4 2135 B7R1.1 CSC1CCCC1 62a_100011217020_200000210301 [1,0,0,1,0,0|2,0,0]=4 2136 B7R1.1 CSC1CCCC1 62a_200000210301_100000179811 [1,0,0,1,0,0|2,0,0]=4 2137 B7R1.1 CSC1CCOC1 62a_200000210301_100000690089 [1,0,0,1,0,0|2,0,0]=4 2138 B7R1.1 FCN1CCCC1 269982a_100000188435_100015361967 [1,0,0,1,0,0|2,0,0]=4 2139 B7R1.1 [13CH3]NC1CCCC1 2230a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 2140 B7R1.1 [13CH3]NC1CCCC1 34a_100000211070_200025704644 [1,0,0,1,0,0|2,0,0]=4 2141 B7R1.1 [13CH3]N[C@@H]1CCOC1 2230a_200015188469_200025704644 [1,0,0,1,0,0|2,0,0]=4 2142 B7R1.1 [13CH3]N[C@H]1CCOC1 2230a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 2143 B7R1.1 [13CH3]N[C@H]1CCOC1 34a_100015188467_200025704644 [1,0,0,1,0,0|2,0,0]=4 2144 B7R1.1 [13CH3]OC1CCCC1 34a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 2145 B7R1.1 [13CH3]OC1CCCC1 7a_100000210269_200025704644 [1,0,0,1,0,0|2,0,0]=4 2146 B7R1.1 [13CH3]O[C@H]1CCOC1 34a_100000717292_200025704644 [1,0,0,1,0,0|2,0,0]=4 2147 B7R1.1 [13CH3]SC1CCCC1 62a_100011217020_200025704644 [1,0,0,1,0,0|2,0,0]=4 2148 B7R1.1 [13CH3]SC1CCCC1 62a_200025704644_100000179811 [1,0,0,1,0,0|2,0,0]=4 2149 B7R1.1 [13CH3]SC1CCOC1 62a_200025704644_100000690089 [1,0,0,1,0,0|2,0,0]=4 2150 B7R1.2 CN1CCC(C1)O 2230a_100011215560_200000210301 [1,0,0,1,0,0|2,0,0]=4 2151 B7R1.2 CN1CCC(C1)O 269982a_100011215560_200000210301 [1,0,0,1,0,0|2,0,0]=4 2152 B7R1.2 C[C@@H]1CCN(C1)C 2230a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 2153 B7R1.2 C[C@@H]1CCN(C1)C 269982a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 2154 B7R1.2 C[C@@H]1CCN(C1)C 34a_100016987628_200000210301 [1,0,0,1,0,0|2,0,0]=4 2155 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 2230a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 2156 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 269982a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 2157 B7R1.2 C[C@@H]1CCN(C1)[13CH3] 34a_100016987628_200025704644 [1,0,0,1,0,0|2,0,0]=4 2158 B7R1.2 [13CH3]N1CCC(C1)O 2230a_100011215560_200025704644 [1,0,0,1,0,0|2,0,0]=4 2159 B7R1.2 [13CH3]N1CCC(C1)O 269982a_100011215560_200025704644 [1,0,0,1,0,0|2,0,0]=4 2160 B7R1.3 CN1CCCOC1 2230a_100000131196_200000210301 [1,0,0,1,0,0|1,0,0]=3 2161 B7R1.3 CN1CCCOC1 269982a_100000131196_200000210301 [1,0,0,1,0,0|1,0,0]=3 2162 B7R1.3 CN1CCCOC1 34a_100000131196_200000210301 [1,0,0,1,0,0|1,0,0]=3 2163 B7R1.3 CN1CCOCC1 2230a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2164 B7R1.3 CN1CCOCC1 269982a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2165 B7R1.3 CN1CCOCC1 34a_100015191051_200000210301 [1,0,0,1,0,0|2,0,0]=4 2166 B7R1.3 [13CH3]N1CCCOC1 2230a_100000131196_200025704644 [1,0,0,1,0,0|1,0,0]=3 2167 B7R1.3 [13CH3]N1CCCOC1 269982a_100000131196_200025704644 [1,0,0,1,0,0|1,0,0]=3 2168 B7R1.3 [13CH3]N1CCCOC1 34a_100000131196_200025704644 [1,0,0,1,0,0|1,0,0]=3 2169 B7R1.3 [13CH3]N1CCOCC1 2230a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2170 B7R1.3 [13CH3]N1CCOCC1 269982a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2171 B7R1.3 [13CH3]N1CCOCC1 34a_100015191051_200025704644 [1,0,0,1,0,0|2,0,0]=4 2172 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 2173 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 2174 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [1,0,0,1,0,0|2,0,0]=4 2175 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 2176 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 2177 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [1,0,0,1,0,0|2,0,0]=4 2178 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 2179 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [1,0,0,1,0,0|2,0,0]=4 2180 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 2181 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [1,0,0,1,0,0|2,0,0]=4 2182 B7R1.5 CC1CC1CO[13CH3] 34a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 2183 B7R1.5 CC1CC1CO[13CH3] 7a_100000744939_200025704644 [1,0,0,1,0,0|2,0,0]=4 2184 B7R1.5 CCN[C@@H]1C[C@@H]1F 2230a_100015190264_100000210202 [1,0,0,1,0,0|2,0,0]=4 2185 B7R1.5 CCN[C@@H]1C[C@H]1F 2230a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 2186 B7R1.5 CCN[C@@H]1C[C@H]1F 34a_100025746932_100000210202 [1,0,0,1,0,0|2,0,0]=4 2187 B7R1.5 COCC1CC1C 34a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 2188 B7R1.5 COCC1CC1C 7a_100000744939_200000210301 [1,0,0,1,0,0|2,0,0]=4 2189 B7R1.6 CCCN1CCC1 269982a_100000754969_100000210303 [1,0,0,1,0,0|2,0,0]=4 2190 B7R1.6 CCNC1CCC1 2230a_100000749019_100000210202 [1,0,0,1,0,0|2,0,0]=4 2191 B7R1.6 CCNC1CCC1 270004a_100015525214_100000241760 [1,0,0,1,0,0|2,0,0]=4 2192 B7R1.6 CCNC1CCC1 34a_100000749019_100000210202 [1,0,0,1,0,0|2,0,0]=4 2193 B7R1.6 CCNC1COC1 2230a_100016991112_100000210202 [1,0,0,1,0,0|1,0,0]=3 2194 B7R1.6 CCOC1CCC1 34a_100000748187_100000210202 [1,0,0,1,0,0|2,0,0]=4 2195 B7R1.6 CCOC1CCC1 34a_100121572206_100000749161 [1,0,0,1,0,0|2,0,0]=4 2196 B7R1.6 CCOC1COC1 34a_100121572206_100009818527 [1,0,0,1,0,0|1,0,0]=3 2197 B7R1.6 CCOC1CSC1 7a_100000072292_100000210202 [1,0,0,1,0,0|1,1,0]=4 2198 B7R1.6 CCSC1CCC1 62a_100000210202_100000749161 [1,0,0,1,0,0|2,0,0]=4 2199 B7R1.6 CCSC1COC1 62a_100000210202_100009818527 [1,0,0,1,0,0|1,0,0]=3 2200 B7R1.6 CNCC1CCC1 2230a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 2201 B7R1.6 CNCC1CCC1 2230a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 2202 B7R1.6 CNCC1CCC1 269862a_106832991636_100000753134 [1,0,0,1,0,0|2,0,0]=4 2203 B7R1.6 CNCC1CCC1 34a_100000738700_200000210301 [1,0,0,1,0,0|2,0,0]=4 2204 B7R1.6 CNCC1CCC1 34a_100102657272_100000763275 [1,0,0,1,0,0|2,0,0]=4 2205 B7R1.6 CNCC1CCC1 7a_106832991635_100000763275 [1,0,0,1,0,0|2,0,0]=4 2206 B7R1.6 CNCC1COC1 2230a_100015281925_200000210301 [1,0,0,1,0,0|1,0,0]=3 2207 B7R1.6 CNCC1COC1 2230a_106832991635_100010264016 [1,0,0,1,0,0|1,0,0]=3 2208 B7R1.6 CNCC1COC1 34a_100015281925_200000210301 [1,0,0,1,0,0|1,0,0]=3 2209 B7R1.6 CNCC1COC1 34a_100102657272_100010264016 [1,0,0,1,0,0|1,0,0]=3 2210 B7R1.6 CNCC1COC1 7a_106832991635_100010264016 [1,0,0,1,0,0|1,0,0]=3 2211 B7R1.6 COCC1CCC1 34a_100000760304_200000210301 [1,0,0,1,0,0|2,0,0]=4 2212 B7R1.6 COCC1CCC1 34a_100138415774_100000763275 [1,0,0,1,0,0|2,0,0]=4 2213 B7R1.6 COCC1CNC1 34a_100016987283_200000210301 [1,0,0,1,0,0|2,0,0]=4 2214 B7R1.6 COCC1COC1 34a_100000060846_200000210301 [1,0,0,1,0,0|1,0,0]=3 2215 B7R1.6 COCC1COC1 34a_100138415774_100010264016 [1,0,0,1,0,0|1,0,0]=3 2216 B7R1.6 CSCC1CCC1 62a_100000763275_200000210301 [1,0,0,1,0,0|2,0,0]=4 2217 B7R1.6 CSCC1CCC1 62a_200000210301_100000763275 [1,0,0,1,0,0|2,0,0]=4 2218 B7R1.6 CSCC1COC1 62a_100010264016_200000210301 [1,0,0,1,0,0|1,0,0]=3 2219 B7R1.6 CSCC1COC1 62a_200000210301_100010264016 [1,0,0,1,0,0|1,0,0]=3 2220 B7R1.6 FCSC1COC1 62a_100015361967_100009818527 [1,0,0,1,0,0|2,0,0]=4 2221 B7R1.6 OCCN1CCC1 269982a_100000754969_100000211926 [1,0,0,1,0,0|2,0,0]=4 2222 B7R1.6 [13CH3]NCC1CCC1 2230a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 2223 B7R1.6 [13CH3]NCC1CCC1 34a_100000738700_200025704644 [1,0,0,1,0,0|2,0,0]=4 2224 B7R1.6 [13CH3]NCC1COC1 2230a_100015281925_200025704644 [1,0,0,1,0,0|1,0,0]=3 2225 B7R1.6 [13CH3]NCC1COC1 34a_100015281925_200025704644 [1,0,0,1,0,0|1,0,0]=3 2226 B7R1.6 [13CH3]OCC1CCC1 34a_100000760304_200025704644 [1,0,0,1,0,0|2,0,0]=4 2227 B7R1.6 [13CH3]OCC1CNC1 34a_100016987283_200025704644 [1,0,0,1,0,0|2,0,0]=4 2228 B7R1.6 [13CH3]OCC1COC1 34a_100000060846_200025704644 [1,0,0,1,0,0|1,0,0]=3 2229 B7R1.6 [13CH3]SCC1CCC1 62a_100000763275_200025704644 [1,0,0,1,0,0|2,0,0]=4 2230 B7R1.6 [13CH3]SCC1CCC1 62a_200025704644_100000763275 [1,0,0,1,0,0|2,0,0]=4 2231 B7R1.6 [13CH3]SCC1COC1 62a_100010264016_200025704644 [1,0,0,1,0,0|1,0,0]=3 2232 B7R1.6 [13CH3]SCC1COC1 62a_200025704644_100010264016 [1,0,0,1,0,0|1,0,0]=3 2233 B7R1.8 CCN1CCC1C 269982a_100000755817_100000204670 [1,0,0,1,0,0|2,0,0]=4 2234 B7R1.8 CCN1CCC1C 34a_100000755817_100000210202 [1,0,0,1,0,0|2,0,0]=4 2235 B7R1.10 CC1CN(C1)CF 269982a_100000702820_100015361967 [1,0,0,1,0,0|2,0,0]=4 2236 B7R1.10 CC1CN(C1)CF 34a_100000702820_100015361967 [1,0,0,1,0,0|2,0,0]=4 2237 B7R1.10 CCC1CN(C1)C 2230a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 2238 B7R1.10 CCC1CN(C1)C 269982a_100015205115_200000210301 [1,0,0,1,0,0|2,0,0]=4 2239 B7R1.10 CCC1CN(C1)[13CH3] 2230a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 2240 B7R1.10 CCC1CN(C1)[13CH3] 269982a_100015205115_200025704644 [1,0,0,1,0,0|2,0,0]=4 2241 B7R1.10 CCN1CC(C1)C 2230a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 2242 B7R1.10 CCN1CC(C1)C 269982a_100000702820_100000204670 [1,0,0,1,0,0|2,0,0]=4 2243 B7R1.10 CCN1CC(C1)C 34a_100000702820_100000210202 [1,0,0,1,0,0|2,0,0]=4 2244 B7R1.10 CCN1CC(C1)O 269982a_100000749847_100000204670 [1,0,0,1,0,0|2,0,0]=4 2245 B7R1.10 CN1CC(C1)CF 269982a_100010363649_200000210301 [1,0,0,1,0,0|2,0,0]=4 2246 B7R1.10 CN1CC(C1)CF 34a_100010363649_200000210301 [1,0,0,1,0,0|2,0,0]=4 2247 B7R1.10 CN1CC(C1)CO 269982a_100016987283_200000210301 [1,0,0,1,0,0|1,0,0]=3 2248 B7R1.10 CN1CC(C1)CO 34a_100016987283_200000210301 [1,0,0,1,0,0|1,0,0]=3 2249 B7R1.10 CN[C@H]1C[C@@H](C1)O 2230a_100020629032_200000210301 [1,0,0,1,0,0|2,0,0]=4 2250 B7R1.10 [13CH3]N1CC(C1)CF 269982a_100010363649_200025704644 [1,0,0,1,0,0|2,0,0]=4 2251 B7R1.10 [13CH3]N1CC(C1)CF 34a_100010363649_200025704644 [1,0,0,1,0,0|2,0,0]=4 2252 B7R1.10 [13CH3]N1CC(C1)CO 269982a_100016987283_200025704644 [1,0,0,1,0,0|1,0,0]=3 2253 B7R1.10 [13CH3]N1CC(C1)CO 34a_100016987283_200025704644 [1,0,0,1,0,0|1,0,0]=3 2254 B7R1.10 [13CH3]N[C@H]1C[C@@H](C1)O 2230a_100020629032_200025704644 [1,0,0,1,0,0|2,0,0]=4 2255 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [1,0,0,1,0,0|2,0,0]=4 2256 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [1,0,0,1,0,0|2,0,0]=4 2257 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [1,0,0,1,0,0|2,0,0]=4 2258 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [1,0,0,1,0,0|2,0,0]=4 2259 B7R1.21 CC1(CC1)CN[13CH3] 2230a_100000766693_200025704644 [1,0,0,1,0,0|2,0,0]=4 2260 B7R1.21 CC1(CC1)CO[13CH3] 7a_100000698024_200025704644 [1,0,0,1,0,0|2,0,0]=4 2261 B7R1.21 CC1(CO1)CS[13CH3] 62a_100000760498_200025704644 [1,0,0,1,0,0|1,0,0]=3 2262 B7R1.21 CC1(CO1)CS[13CH3] 62a_200025704644_100000760498 [1,0,0,1,0,0|1,0,0]=3 2263 B7R1.21 CCNC1(CC1)C 2230a_100000757604_100000210202 [1,0,0,1,0,0|2,0,0]=4 2264 B7R1.21 CCOC1(CC1)C 7a_100011725673_100000210202 [1,0,0,1,0,0|2,0,0]=4 2265 B7R1.21 CNCC1(CC1)C 2230a_100000766693_200000210301 [1,0,0,1,0,0|2,0,0]=4 2266 B7R1.21 CNCC1(CO1)C 34a_100102657272_100000760498 [1,0,0,1,0,0|1,0,0]=3 2267 B7R1.21 COCC1(CC1)C 7a_100000698024_200000210301 [1,0,0,1,0,0|2,0,0]=4 2268 B7R1.21 COCC1(CO1)C 34a_100138415774_100000760498 [1,0,0,1,0,0|1,0,0]=3 2269 B7R1.21 CSCC1(CO1)C 62a_100000760498_200000210301 [1,0,0,1,0,0|1,0,0]=3 2270 B7R1.21 CSCC1(CO1)C 62a_200000210301_100000760498 [1,0,0,1,0,0|1,0,0]=3 2271 B7R1.22 CC(N[13CH3])C1CC1 2230a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 2272 B7R1.22 CC(N[13CH3])C1CC1 34a_100000700016_200025704644 [1,0,0,1,0,0|2,0,0]=4 2273 B7R1.22 CC(O[13CH3])C1CC1 34a_100000744524_200025704644 [1,0,0,1,0,0|2,0,0]=4 2274 B7R1.22 CC(O[13CH3])C1CC1 7a_100000744524_200025704644 [1,0,0,1,0,0|2,0,0]=4 2275 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|0,1,1]=4 2276 B7R1.22 CCN(C)C1CC1 2230a_100000226674_100000210202 [1,0,0,1,0,0|2,0,0]=4 2277 B7R1.22 CCN(C)C1CC1 2230a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 2278 B7R1.22 CCN(C)C1CC1 269982a_100000225621_100000211595 [1,0,0,1,0,0|2,0,0]=4 2279 B7R1.22 CCN(C)C1CC1 269982a_100000226674_100000204670 [1,0,0,1,0,0|2,0,0]=4 2280 B7R1.22 CCN(C)C1CC1 269982a_100000738653_200000210301 [1,0,0,1,0,0|2,0,0]=4 2281 B7R1.22 CCN([13CH3])C1CC1 2230a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 2282 B7R1.22 CCN([13CH3])C1CC1 269982a_100000738653_200025704644 [1,0,0,1,0,0|2,0,0]=4 2283 B7R1.22 CN(CF)C1CC1 269982a_100000226674_100015361967 [1,0,0,1,0,0|2,0,0]=4 2284 B7R1.22 CNC(C)C1CC1 2230a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 2285 B7R1.22 CNC(C)C1CC1 269862a_106832991636_100000210639 [1,0,0,1,0,0|2,0,0]=4 2286 B7R1.22 CNC(C)C1CC1 34a_100000700016_200000210301 [1,0,0,1,0,0|2,0,0]=4 2287 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [1,0,0,1,0,0|2,0,0]=4 2288 B7R1.22 COC(C)C1CC1 34a_100000744524_200000210301 [1,0,0,1,0,0|2,0,0]=4 2289 B7R1.22 COC(C)C1CC1 7a_100000744524_200000210301 [1,0,0,1,0,0|2,0,0]=4 2290 B7R1.25 CC1(CCC1)N[13CH3] 2230a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 2291 B7R1.25 CC1(CCC1)N[13CH3] 34a_100000692455_200025704644 [1,0,0,1,0,0|2,0,0]=4 2292 B7R1.25 CC1(CCC1)O[13CH3] 34a_100000759064_200025704644 [1,0,0,1,0,0|2,0,0]=4 2293 B7R1.25 CC1(CCC1)O[13CH3] 7a_100000759064_200025704644 [1,0,0,1,0,0|2,0,0]=4 2294 B7R1.25 CNC1(CCC1)C 2230a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 2295 B7R1.25 CNC1(CCC1)C 34a_100000692455_200000210301 [1,0,0,1,0,0|2,0,0]=4 2296 B7R1.25 COC1(CCC1)C 34a_100000759064_200000210301 [1,0,0,1,0,0|2,0,0]=4 2297 B7R1.25 COC1(CCC1)C 7a_100000759064_200000210301 [1,0,0,1,0,0|2,0,0]=4 2298 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|0,1,1]=4 2299 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|0,1,1]=4 2300 B7R1.18 CC(C)N1CCC1 269982a_100000754969_100000210206 [1,0,0,1,0,0|2,0,0]=4 2301 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 2302 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 2303 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [1,0,0,1,0,0|2,0,0]=4 2304 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [1,0,0,1,0,0|2,0,0]=4 2305 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [1,0,0,1,0,0|2,0,0]=4 2306 B7R1.18 CN(C)C1COC1 2230a_100102693430_200000210301 [1,0,0,1,0,0|2,0,0]=4 2307 B7R1.18 CN(C)C1COC1 269982a_100102631434_100000687716 [1,0,0,1,0,0|2,0,0]=4 2308 B7R1.18 CN(C)C1COC1 269982a_100102693430_200000210301 [1,0,0,1,0,0|2,0,0]=4 2309 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 2310 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 2311 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [1,0,0,1,0,0|2,0,0]=4 2312 B7R1.18 CN([13CH3])C1COC1 2230a_100102693430_200025704644 [1,0,0,1,0,0|2,0,0]=4 2313 B7R1.18 CN([13CH3])C1COC1 269982a_100102693430_200025704644 [1,0,0,1,0,0|2,0,0]=4 2314 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|0,1,1]=4 2315 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [0,0,0,1,0,1|2,0,0]=4 2316 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [0,0,0,1,0,1|2,0,0]=4 2317 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [0,0,0,1,0,1|2,0,0]=4 2318 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [0,0,0,1,0,1|2,0,0]=4 2319 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [0,0,0,1,0,1|2,0,0]=4 2320 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [0,0,0,1,0,1|2,0,0]=4 2321 B9R1.21 CCN1CCC(C1)CO 2230a_100000748654_100000210202 [0,0,0,1,0,1|2,0,0]=4 2322 B9R1.21 CCN1CCC(C1)CO 269982a_100000748654_100000204670 [0,0,0,1,0,1|2,0,0]=4 2323 B9R1.21 CCN1CCC(C1)CO 34a_100000748654_100000210202 [0,0,0,1,0,1|2,0,0]=4 2324 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2230a_200015306588_100000210202 [0,0,0,1,0,1|2,0,0]=4 2325 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 269982a_200015306588_100000204670 [0,0,0,1,0,1|2,0,0]=4 2326 B9R1.69 CC1CN(CCC1O)C 2230a_100011998114_200000210301 [0,0,0,1,0,1|2,0,0]=4 2327 B9R1.69 CC1CN(CCC1O)C 269982a_100011998114_200000210301 [0,0,0,1,0,1|2,0,0]=4 2328 B9R1.69 CC1CN(CCC1O)[13CH3] 2230a_100011998114_200025704644 [0,0,0,1,0,1|2,0,0]=4 2329 B9R1.69 CC1CN(CCC1O)[13CH3] 269982a_100011998114_200025704644 [0,0,0,1,0,1|2,0,0]=4 2330 B9R1.78 CC(CO)N[C@@H]1C[C@@H]1F 2230a_100015190264_100012180447 [0,0,0,1,0,1|2,0,0]=4 2331 B9R1.78 CC(CO)N[C@@H]1C[C@H]1F 2230a_100025746932_100012180447 [0,0,0,1,0,1|2,0,0]=4 2332 B9R1.78 CC(CO)N[C@@H]1C[C@H]1F 34a_100025746932_100012180447 [0,0,0,1,0,1|2,0,0]=4 2333 B9R1.78 CCC(C)N[C@@H]1C[C@@H]1F 2230a_100015190264_100000758301 [0,0,0,1,0,1|2,0,0]=4 2334 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 2230a_100025746932_100000758301 [0,0,0,1,0,1|2,0,0]=4 2335 B9R1.78 CCC(C)N[C@@H]1C[C@H]1F 34a_100025746932_100011215416 [0,0,0,1,0,1|2,0,0]=4 2336 B9R1.79 CC(CF)OC1CCC1 34a_100016041109_100000749161 [0,0,0,1,0,1|2,0,0]=4 2337 B9R1.79 CC(CF)OC1COC1 34a_100016041109_100009818527 [0,0,0,1,0,1|2,0,0]=4 2338 B9R1.79 CC(CF)OC1COC1 7a_100016041109_100009818527 [0,0,0,1,0,1|2,0,0]=4 2339 B9R1.79 CC(CN)OC1CCC1 34a_100000210904_100000749161 [0,0,0,1,0,1|2,0,0]=4 2340 B9R1.79 CC(CN)OC1COC1 34a_100000210904_100009818527 [0,0,0,1,0,1|2,0,0]=4 2341 B9R1.79 CC(CO)NC1CCC1 2230a_100000749019_100012180447 [0,0,0,1,0,1|1,0,0]=3 2342 B9R1.79 CC(CO)NC1CCC1 34a_100000749019_100012180447 [0,0,0,1,0,1|1,0,0]=3 2343 B9R1.79 CC(CO)NC1COC1 2230a_100016991112_100012180447 [0,0,0,1,0,1|2,0,0]=4 2344 B9R1.79 CC(CO)OC1CCC1 34a_100000748187_100012180447 [0,0,0,1,0,1|1,0,0]=3 2345 B9R1.79 CC(CO)OC1CSC1 7a_100000072292_100012180447 [0,0,0,1,0,1|2,0,0]=4 2346 B9R1.79 CC(CO)SC1CCC1 62a_100012180447_100000749161 [0,0,0,1,0,1|1,0,0]=3 2347 B9R1.79 CC(CO)SC1COC1 62a_100012180447_100009818527 [0,0,0,1,0,1|2,0,0]=4 2348 B9R1.79 CCC(=O)CC1COC1 1458a_100000210414_100010264016 [0,0,0,1,0,1|0,1,1]=4 2349 B9R1.79 CCC(=O)CC1COC1 1458a_100000687760_100000210202 [0,0,0,1,0,1|0,1,1]=4 2350 B9R1.79 CCC(=O)NC1COC1 11a_100016991112_100000210414 [0,0,0,1,0,1|0,1,1]=4 2351 B9R1.79 CCC(=O)NC1COC1 1626a_100016991112_100000210414 [0,0,0,1,0,1|0,1,1]=4 2352 B9R1.79 CCC(=O)NC1COC1 240690a_100016991112_100000210414 [0,0,0,1,0,1|0,1,1]=4 2353 B9R1.79 CCC(=O)NC1COC1 527a_100016991112_100000210414 [0,0,0,1,0,1|0,1,1]=4 2354 B9R1.79 CCC(C)NC1CCC1 2230a_100000749019_100000758301 [0,0,0,1,0,1|2,0,0]=4 2355 B9R1.79 CCC(C)NC1CCC1 270004a_100000209981_100000241760 [0,0,0,1,0,1|2,0,0]=4 2356 B9R1.79 CCC(C)NC1CCC1 34a_100000749019_100011215416 [0,0,0,1,0,1|2,0,0]=4 2357 B9R1.79 CCC(C)NC1COC1 2230a_100016991112_100000758301 [0,0,0,1,0,1|1,0,0]=3 2358 B9R1.79 CCC(C)OC1CCC1 34a_100000748187_100011215416 [0,0,0,1,0,1|2,0,0]=4 2359 B9R1.79 CCC(C)OC1COC1 7a_100000210228_100009818527 [0,0,0,1,0,1|1,0,0]=3 2360 B9R1.79 CCC(C)OC1CSC1 7a_100000072292_100000758301 [0,0,0,1,0,1|1,1,0]=4 2361 B9R1.79 CCC(C)SC1CCC1 62a_100000758301_100000749161 [0,0,0,1,0,1|2,0,0]=4 2362 B9R1.79 CCC(C)SC1COC1 62a_100000758301_100009818527 [0,0,0,1,0,1|1,0,0]=3 2363 B9R1.79 CCN(C)CC1COC1 2230a_100000225621_100010264016 [0,0,0,1,0,1|2,0,0]=4 2364 B9R1.79 CCN(C)CC1COC1 269982a_100000225621_100010264016 [0,0,0,1,0,1|2,0,0]=4 2365 B9R1.79 COC(C)SC1COC1 62a_100009879195_100009818527 [0,0,0,1,0,1|2,0,0]=4 2366 B9R1.79 C[C@@H](CO)CN1CCC1 269982a_100000754969_100000059175 [0,0,0,1,0,1|2,0,0]=4 2367 B9R1.79 C[C@H](CF)NC1CCC1 270004a_100102880703_100000241760 [0,0,0,1,0,1|2,0,0]=4 2368 B9R1.79 C[C@H](CO)NC1CCC1 270004a_100000737577_100000241760 [0,0,0,1,0,1|1,0,0]=3 2369 B9R1.79 C[C@H](CO)SC1CCC1 62a_100016084084_100000749161 [0,0,0,1,0,1|1,0,0]=3 2370 B9R1.79 C[C@H](CO)SC1COC1 62a_100016084084_100009818527 [0,0,0,1,0,1|2,0,0]=4 2371 B9R1.81 CC(CO)N1CCC1C 34a_100000755817_100012180447 [0,0,0,1,0,1|1,0,0]=3 2372 B9R1.81 CC1CCN1[C@H](C)CO 269982a_100000755817_100016084084 [0,0,0,1,0,1|1,0,0]=3 2373 B9R1.81 CCC(C)N1CCC1C 269982a_100000755817_100000758301 [0,0,0,1,0,1|2,0,0]=4 2374 B9R1.81 CCC(C)N1CCC1C 34a_100000755817_100011215416 [0,0,0,1,0,1|2,0,0]=4 2375 B9R1.113 CC(CO)NC1(CC1)C 2230a_100000757604_100012180447 [0,0,0,1,0,1|1,0,0]=3 2376 B9R1.113 CC(CO)OC1(CC1)C 7a_100011725673_100012180447 [0,0,0,1,0,1|1,0,0]=3 2377 B9R1.113 CCC(=O)CC1(CO1)C 1458a_100000210414_100000760498 [0,0,0,1,0,1|0,1,1]=4 2378 B9R1.113 CCC(C)NC1(CC1)C 2230a_100000757604_100000758301 [0,0,0,1,0,1|2,0,0]=4 2379 B9R1.113 CCC(C)OC1(CC1)C 7a_100011725673_100000758301 [0,0,0,1,0,1|2,0,0]=4 2380 B9R1.113 CCN(C)CC1(CO1)C 269982a_100000225621_100000760498 [0,0,0,1,0,1|2,0,0]=4 2381 B9R1.207 CCN1CC(C1)(C)CO 2230a_100015203900_100000210202 [0,0,0,1,0,1|2,0,0]=4 2382 B9R1.207 CCN1CC(C1)(C)CO 269982a_100015203900_100000204670 [0,0,0,1,0,1|2,0,0]=4 2383 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 2230a_100103153222_200000210301 [0,1,0,1,0,0|2,0,0]=4 2384 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 269982a_100103153222_200000210301 [0,1,0,1,0,0|2,0,0]=4 2385 B9R1.3 C[C@@H]1COC[C@@H](N1C)C 34a_100103153222_200000210301 [0,1,0,1,0,0|2,0,0]=4 2386 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 2230a_100103153222_200025704644 [0,1,0,1,0,0|2,0,0]=4 2387 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 269982a_100103153222_200025704644 [0,1,0,1,0,0|2,0,0]=4 2388 B9R1.3 C[C@@H]1COC[C@@H](N1[13CH3])C 34a_100103153222_200025704644 [0,1,0,1,0,0|2,0,0]=4 2389 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210206 [0,1,0,1,0,0|2,0,0]=4 2390 B9R1.55 CC(C)N1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210206 [0,1,0,1,0,0|2,0,0]=4 2391 B9R1.101 CC(CO)N(C)C1CC1 2230a_100000226674_100012180447 [0,1,0,1,0,0|2,0,0]=4 2392 B9R1.101 CC(CO)N(C)C1CC1 269982a_100000693034_100000211595 [0,1,0,1,0,0|2,0,0]=4 2393 B9R1.101 C[C@H](CO)N(C)C1CC1 269982a_100000226674_100016084084 [0,1,0,1,0,0|2,0,0]=4 2394 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|0,1,1]=4 2395 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|0,1,1]=4 2396 B9R1.110 CC(C)N(C)C1COC1 2230a_100102693430_100000210206 [0,1,0,1,0,0|2,0,0]=4 2397 B9R1.110 CC(C)N(C)C1COC1 269982a_100102693430_100000210206 [0,1,0,1,0,0|2,0,0]=4 2398 B9R1.110 CC(C)N(C)C1COC1 269982a_200000211004_100000687716 [0,1,0,1,0,0|2,0,0]=4 2399 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,1,0,1,0,0|0,1,1]=4 2400 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|0,1,1]=4 2401 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|0,1,1]=4 2402 B9R1.4 CCN1CCC1COC 2230a_100015195929_100000210202 [0,1,0,1,0,0|2,0,0]=4 2403 B9R1.4 CCN1CCC1COC 269982a_100015195929_100000204670 [0,1,0,1,0,0|2,0,0]=4 2404 B9R1.4 CCN1CCC1COC 34a_100015195929_100000210202 [0,1,0,1,0,0|2,0,0]=4 2405 B9R1.11 CC(CO)N1CCCC1 2230a_100000188435_100012180447 [0,1,0,1,0,0|2,0,0]=4 2406 B9R1.11 CC(CO)N1CCSC1 2230a_100011215254_100012180447 [0,1,0,1,0,0|1,0,0]=3 2407 B9R1.11 CCC(=O)C1CCOC1 1458a_100000210414_100000690089 [0,1,0,1,0,0|0,1,1]=4 2408 B9R1.11 CCC(=O)C1CCOC1 1458a_100011219752_100000210202 [0,1,0,1,0,0|0,1,1]=4 2409 B9R1.11 CCC(C)N1CCSC1 2230a_100011215254_100000758301 [0,1,0,1,0,0|2,0,0]=4 2410 B9R1.11 CCC(C)N1CCSC1 269982a_100011215254_100000758301 [0,1,0,1,0,0|2,0,0]=4 2411 B9R1.11 CCN(C)C1CCOC1 2230a_100000225621_100000731011 [0,1,0,1,0,0|2,0,0]=4 2412 B9R1.11 CCN(C)C1CCOC1 2230a_100016988252_100000210202 [0,1,0,1,0,0|2,0,0]=4 2413 B9R1.11 CCN(C)C1CCOC1 269982a_100000225621_100000731011 [0,1,0,1,0,0|2,0,0]=4 2414 B9R1.11 CCN(C)C1CCOC1 269982a_100016988252_100000204670 [0,1,0,1,0,0|2,0,0]=4 2415 B9R1.11 CCN(C)C1CCOC1 34a_100016988252_100000210202 [0,1,0,1,0,0|2,0,0]=4 2416 B9R1.11 C[C@H](CO)N1CCCC1 269982a_100000188435_100016084084 [0,1,0,1,0,0|2,0,0]=4 2417 B9R1.11 C[C@H](CO)N1CCSC1 269982a_100011215254_100016084084 [0,1,0,1,0,0|1,0,0]=3 2418 B9R1.15 CC1CCCCC1N[13CH3] 2230a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 2419 B9R1.15 CC1CCCCC1N[13CH3] 34a_100000211402_200025704644 [0,1,0,1,0,0|2,0,0]=4 2420 B9R1.15 CC1CCCCC1O[13CH3] 34a_100000211207_200025704644 [0,1,0,1,0,0|1,1,0]=4 2421 B9R1.15 CC1CCCCC1O[13CH3] 7a_100000211207_200025704644 [0,1,0,1,0,0|1,1,0]=4 2422 B9R1.15 CC1CCNCC1O[13CH3] 34a_100000696640_200025704644 [0,1,0,1,0,0|2,0,0]=4 2423 B9R1.15 CC1CNCCC1O[13CH3] 34a_100011998114_200025704644 [0,1,0,1,0,0|1,1,0]=4 2424 B9R1.15 CCN1CCOC[C@@H]1C 2230a_100009815349_100000210202 [0,1,0,1,0,0|2,0,0]=4 2425 B9R1.15 CCN1CCOC[C@@H]1C 269982a_100009815349_100000204670 [0,1,0,1,0,0|2,0,0]=4 2426 B9R1.15 CCN1CCOC[C@@H]1C 34a_100009815349_100000210202 [0,1,0,1,0,0|2,0,0]=4 2427 B9R1.15 CC[C@H]1COCCN1C 2230a_100016988097_200000210301 [0,1,0,1,0,0|2,0,0]=4 2428 B9R1.15 CC[C@H]1COCCN1C 269982a_100016988097_200000210301 [0,1,0,1,0,0|2,0,0]=4 2429 B9R1.15 CC[C@H]1COCCN1C 34a_100016988097_200000210301 [0,1,0,1,0,0|2,0,0]=4 2430 B9R1.15 CC[C@H]1COCCN1[13CH3] 2230a_100016988097_200025704644 [0,1,0,1,0,0|2,0,0]=4 2431 B9R1.15 CC[C@H]1COCCN1[13CH3] 269982a_100016988097_200025704644 [0,1,0,1,0,0|2,0,0]=4 2432 B9R1.15 CC[C@H]1COCCN1[13CH3] 34a_100016988097_200025704644 [0,1,0,1,0,0|2,0,0]=4 2433 B9R1.15 CN1CCCCC1CO 2230a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2434 B9R1.15 CN1CCCCC1CO 269982a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2435 B9R1.15 CN1CCCCC1CO 34a_100000210821_200000210301 [0,1,0,1,0,0|2,0,0]=4 2436 B9R1.15 CN1CCOC[C@H]1CO 2230a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 2437 B9R1.15 CN1CCOC[C@H]1CO 269982a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 2438 B9R1.15 CN1CCOC[C@H]1CO 34a_100000717676_200000210301 [0,1,0,1,0,0|2,0,0]=4 2439 B9R1.15 CNC1CCCCC1C 2230a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 2440 B9R1.15 CNC1CCCCC1C 269862a_106832991636_100000210921 [0,1,0,1,0,0|2,0,0]=4 2441 B9R1.15 CNC1CCCCC1C 270004a_106832991635_100000210921 [0,1,0,1,0,0|2,0,0]=4 2442 B9R1.15 CNC1CCCCC1C 34a_100000211402_200000210301 [0,1,0,1,0,0|2,0,0]=4 2443 B9R1.15 CNC1CCCCC1F 34a_100102657272_100015423560 [0,1,0,1,0,0|2,0,0]=4 2444 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [0,1,0,1,0,0|1,1,0]=4 2445 B9R1.15 CNC1CCNCC1C 270004a_106832991635_100000703950 [0,1,0,1,0,0|2,0,0]=4 2446 B9R1.15 CNC1CCOCC1C 270004a_106832991635_100000755695 [0,1,0,1,0,0|1,0,0]=3 2447 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [0,1,0,1,0,0|0,1,1]=4 2448 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [0,1,0,1,0,0|0,1,1]=4 2449 B9R1.15 CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2450 B9R1.15 CN[C@@H]1CCCC[C@H]1F 34a_100015195156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2451 B9R1.15 CN[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200000210301 [0,1,0,1,0,0|2,0,0]=4 2452 B9R1.15 CN[C@H]1CCOC[C@@H]1F 2230a_100016994078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2453 B9R1.15 CN[C@H]1CCOC[C@@H]1F 34a_100016994078_200000210301 [0,1,0,1,0,0|2,0,0]=4 2454 B9R1.15 CN[C@H]1COCC[C@@H]1O 2230a_100015739063_200000210301 [0,1,0,1,0,0|0,1,0]=3 2455 B9R1.15 COC1CCCCC1C 34a_100000211207_200000210301 [0,1,0,1,0,0|1,1,0]=4 2456 B9R1.15 COC1CCCCC1C 7a_100000211207_200000210301 [0,1,0,1,0,0|1,1,0]=4 2457 B9R1.15 COC1CCCCC1Cl 34a_100000038908_200000210301 [0,1,0,1,0,0|2,0,0]=4 2458 B9R1.15 COC1CCCCC1Cl 7a_100000038908_200000210301 [0,1,0,1,0,0|2,0,0]=4 2459 B9R1.15 COC1CCCCC1F 34a_100138415774_100015423560 [0,1,0,1,0,0|2,0,0]=4 2460 B9R1.15 COC1CCCCC1O 34a_100138415774_100000038908 [0,1,0,1,0,0|1,1,0]=4 2461 B9R1.15 COC1CCNCC1C 34a_100011998114_200000210301 [0,1,0,1,0,0|1,1,0]=4 2462 B9R1.15 COC1CNCCC1C 34a_100000696640_200000210301 [0,1,0,1,0,0|2,0,0]=4 2463 B9R1.15 COC1COCCC1=O 34a_100138415774_100012180262 [0,1,0,1,0,0|0,1,1]=4 2464 B9R1.15 CO[C@@H]1CCCC[C@H]1F 34a_100009816020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2465 B9R1.15 CO[C@@H]1CCCC[C@H]1F 7a_100009816020_200000210301 [0,1,0,1,0,0|2,0,0]=4 2466 B9R1.15 CO[C@H]1CCCC[C@H]1N 34a_100015191688_200000210301 [0,1,0,1,0,0|2,0,0]=4 2467 B9R1.15 CO[C@H]1CCOC[C@@H]1N 34a_100015739063_200000210301 [0,1,0,1,0,0|1,1,0]=4 2468 B9R1.15 CO[C@H]1COCC[C@H]1N 34a_100016994285_200000210301 [0,1,0,1,0,0|1,0,0]=3 2469 B9R1.15 CSC1CCCCC1F 62a_100015423560_200000210301 [0,1,0,1,0,0|2,0,0]=4 2470 B9R1.15 CSC1CCCCC1F 62a_200000210301_100015423560 [0,1,0,1,0,0|2,0,0]=4 2471 B9R1.15 CSC1CCCCC1O 62a_100000038908_200000210301 [0,1,0,1,0,0|1,1,0]=4 2472 B9R1.15 CSC1CCCCC1O 62a_200000210301_100000038908 [0,1,0,1,0,0|1,1,0]=4 2473 B9R1.15 CSC1COCCC1=O 62a_100012180262_200000210301 [0,1,0,1,0,0|0,1,1]=4 2474 B9R1.15 CSC1COCCC1=O 62a_200000210301_100012180262 [0,1,0,1,0,0|0,1,1]=4 2475 B9R1.15 C[C@H]1COCCN1CF 269982a_100009815349_100015361967 [0,1,0,1,0,0|2,0,0]=4 2476 B9R1.15 C[C@H]1COCCN1CF 34a_100009815349_100015361967 [0,1,0,1,0,0|2,0,0]=4 2477 B9R1.15 [13CH3]N1CCCCC1CO 2230a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2478 B9R1.15 [13CH3]N1CCCCC1CO 269982a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2479 B9R1.15 [13CH3]N1CCCCC1CO 34a_100000210821_200025704644 [0,1,0,1,0,0|2,0,0]=4 2480 B9R1.15 [13CH3]N1CCOC[C@H]1CO 2230a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 2481 B9R1.15 [13CH3]N1CCOC[C@H]1CO 269982a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 2482 B9R1.15 [13CH3]N1CCOC[C@H]1CO 34a_100000717676_200025704644 [0,1,0,1,0,0|2,0,0]=4 2483 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 2230a_100015195156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2484 B9R1.15 [13CH3]N[C@@H]1CCCC[C@H]1F 34a_100015195156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2485 B9R1.15 [13CH3]N[C@@H]1CCOC[C@@H]1O 2230a_100016994285_200025704644 [0,1,0,1,0,0|2,0,0]=4 2486 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 2230a_100016994078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2487 B9R1.15 [13CH3]N[C@H]1CCOC[C@@H]1F 34a_100016994078_200025704644 [0,1,0,1,0,0|2,0,0]=4 2488 B9R1.15 [13CH3]N[C@H]1COCC[C@@H]1O 2230a_100015739063_200025704644 [0,1,0,1,0,0|0,1,0]=3 2489 B9R1.15 [13CH3]OC1CCCCC1Cl 34a_100000038908_200025704644 [0,1,0,1,0,0|2,0,0]=4 2490 B9R1.15 [13CH3]OC1CCCCC1Cl 7a_100000038908_200025704644 [0,1,0,1,0,0|2,0,0]=4 2491 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 34a_100009816020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2492 B9R1.15 [13CH3]O[C@@H]1CCCC[C@H]1F 7a_100009816020_200025704644 [0,1,0,1,0,0|2,0,0]=4 2493 B9R1.15 [13CH3]O[C@H]1CCCC[C@H]1N 34a_100015191688_200025704644 [0,1,0,1,0,0|2,0,0]=4 2494 B9R1.15 [13CH3]O[C@H]1CCOC[C@@H]1N 34a_100015739063_200025704644 [0,1,0,1,0,0|1,1,0]=4 2495 B9R1.15 [13CH3]O[C@H]1COCC[C@H]1N 34a_100016994285_200025704644 [0,1,0,1,0,0|1,0,0]=3 2496 B9R1.15 [13CH3]SC1CCCCC1F 62a_100015423560_200025704644 [0,1,0,1,0,0|2,0,0]=4 2497 B9R1.15 [13CH3]SC1CCCCC1F 62a_200025704644_100015423560 [0,1,0,1,0,0|2,0,0]=4 2498 B9R1.15 [13CH3]SC1CCCCC1O 62a_100000038908_200025704644 [0,1,0,1,0,0|1,1,0]=4 2499 B9R1.15 [13CH3]SC1CCCCC1O 62a_200025704644_100000038908 [0,1,0,1,0,0|1,1,0]=4 2500 B9R1.15 [13CH3]SC1COCCC1=O 62a_100012180262_200025704644 [0,1,0,1,0,0|0,1,1]=4 2501 B9R1.15 [13CH3]SC1COCCC1=O 62a_200025704644_100012180262 [0,1,0,1,0,0|0,1,1]=4 2502 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200000210301 [0,1,0,1,0,0|2,0,0]=4 2503 B9R1.22 CN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200000210301 [0,1,0,1,0,0|2,0,0]=4 2504 B9R1.22 CN1C[C@H](C[C@H]1CO)F 2230a_100015204000_200000210301 [0,1,0,1,0,0|2,0,0]=4 2505 B9R1.22 CN1C[C@H](C[C@H]1CO)F 269982a_100015204000_200000210301 [0,1,0,1,0,0|2,0,0]=4 2506 B9R1.22 CN1C[C@H](C[C@H]1CO)F 34a_100015204000_200000210301 [0,1,0,1,0,0|2,0,0]=4 2507 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 2230a_100000707816_200025704644 [0,1,0,1,0,0|2,0,0]=4 2508 B9R1.22 [13CH3]N1C[C@@H](C[C@H]1CO)O 269982a_100000707816_200025704644 [0,1,0,1,0,0|2,0,0]=4 2509 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 2230a_100015204000_200025704644 [0,1,0,1,0,0|2,0,0]=4 2510 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 269982a_100015204000_200025704644 [0,1,0,1,0,0|2,0,0]=4 2511 B9R1.22 [13CH3]N1C[C@H](C[C@H]1CO)F 34a_100015204000_200025704644 [0,1,0,1,0,0|2,0,0]=4 2512 B9R1.33 CC1CCCC1OCF 34a_100011216460_100015361967 [0,1,0,1,0,0|2,0,0]=4 2513 B9R1.33 CC1CCCC1OCF 7a_100011216460_100015361967 [0,1,0,1,0,0|2,0,0]=4 2514 B9R1.33 CCNC1CCCC1C 269862a_100015525214_100000752053 [0,1,0,1,0,0|2,0,0]=4 2515 B9R1.33 CCN[C@H]1COC[C@@H]1O 2230a_100015191717_100000210202 [0,1,0,1,0,0|2,0,0]=4 2516 B9R1.33 CCOC1CCCC1C 34a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 2517 B9R1.33 CCOC1CCCC1C 7a_100011216460_100000210202 [0,1,0,1,0,0|2,0,0]=4 2518 B9R1.33 CCOC1COCC1O 34a_100121572206_200000725654 [0,1,0,1,0,0|2,0,0]=4 2519 B9R1.33 CCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100000210202 [0,1,0,1,0,0|2,0,0]=4 2520 B9R1.33 CCO[C@H]1CCC[C@@H]1N 34a_100000748460_100000210202 [0,1,0,1,0,0|2,0,0]=4 2521 B9R1.33 CCO[C@H]1CNC[C@H]1C 34a_200015306588_100000210202 [0,1,0,1,0,0|2,0,0]=4 2522 B9R1.33 CCO[C@H]1COC[C@@H]1N 34a_100015191717_100000210202 [0,1,0,1,0,0|2,0,0]=4 2523 B9R1.33 CCSC1COCC1O 62a_100000210202_200000725654 [0,1,0,1,0,0|2,0,0]=4 2524 B9R1.33 CCSC1COCC1O 62a_200000725654_100000210202 [0,1,0,1,0,0|2,0,0]=4 2525 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_100000210202_200016002552 [0,1,0,1,0,0|1,1,0]=4 2526 B9R1.33 CCS[C@@H]1CCC[C@H]1O 62a_200016002552_100000210202 [0,1,0,1,0,0|1,1,0]=4 2527 B9R1.33 CN1CCCC1CO[13CH3] 34a_100000743107_200025704644 [0,1,0,1,0,0|2,0,0]=4 2528 B9R1.33 COCC1CCCN1C 34a_100000743107_200000210301 [0,1,0,1,0,0|2,0,0]=4 2529 B9R1.33 COCN1CCC[C@@H]1C 2230a_100020605311_100000766300 [0,1,0,1,0,0|2,0,0]=4 2530 B9R1.33 COCN1CCC[C@@H]1C 269982a_100020605311_100000766300 [0,1,0,1,0,0|2,0,0]=4 2531 B9R1.33 COCN1CCC[C@H]1C 2230a_100015189458_100000766300 [0,1,0,1,0,0|2,0,0]=4 2532 B9R1.33 COCN1CCC[C@H]1C 269982a_100015189458_100000766300 [0,1,0,1,0,0|2,0,0]=4 2533 B9R1.33 COC[C@@H]1CCCN1C 2230a_100020646714_200000210301 [0,1,0,1,0,0|2,0,0]=4 2534 B9R1.33 COC[C@@H]1CCCN1C 269982a_100020646714_200000210301 [0,1,0,1,0,0|2,0,0]=4 2535 B9R1.33 COC[C@@H]1CCCN1C 34a_100020646714_200000210301 [0,1,0,1,0,0|2,0,0]=4 2536 B9R1.33 COC[C@@H]1CCCN1[13CH3] 2230a_100020646714_200025704644 [0,1,0,1,0,0|2,0,0]=4 2537 B9R1.33 COC[C@@H]1CCCN1[13CH3] 269982a_100020646714_200025704644 [0,1,0,1,0,0|2,0,0]=4 2538 B9R1.33 COC[C@@H]1CCCN1[13CH3] 34a_100020646714_200025704644 [0,1,0,1,0,0|2,0,0]=4 2539 B9R1.33 C[C@@H]1CCCN1CCO 2230a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 2540 B9R1.33 C[C@@H]1CCCN1CCO 269982a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 2541 B9R1.33 C[C@@H]1CCCN1CCO 34a_100015189458_100000211926 [0,1,0,1,0,0|2,0,0]=4 2542 B9R1.33 C[C@H]1CCCN1CCO 2230a_100020605311_100000211926 [0,1,0,1,0,0|2,0,0]=4 2543 B9R1.33 C[C@H]1CCCN1CCO 269982a_100020605311_100000211926 [0,1,0,1,0,0|2,0,0]=4 2544 B9R1.33 FCO[C@@H]1CCC[C@H]1Cl 34a_200016002552_100015361967 [0,1,0,1,0,0|2,0,0]=4 2545 B9R1.33 N[C@H]1CCC[C@@H]1OCF 34a_100000748460_100015361967 [0,1,0,1,0,0|2,0,0]=4 2546 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_100015361967_200016002552 [0,1,0,1,0,0|1,1,0]=4 2547 B9R1.33 O[C@@H]1CCC[C@H]1SCF 62a_200016002552_100015361967 [0,1,0,1,0,0|1,1,0]=4 2548 B9R1.73 CC(CCO)N1CCC1 269982a_100000754969_100009893172 [0,1,0,1,0,0|2,0,0]=4 2549 B9R1.73 CC(NCF)C1CCC1 34a_100016994624_100015361967 [0,1,0,1,0,0|2,0,0]=4 2550 B9R1.73 CC(OCF)C1CCC1 34a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 2551 B9R1.73 CC(OCF)C1CCC1 7a_100000766398_100015361967 [0,1,0,1,0,0|2,0,0]=4 2552 B9R1.73 CCCC(=O)C1COC1 1458a_100000211992_100000687716 [0,1,0,1,0,0|0,1,1]=4 2553 B9R1.73 CCCC(=O)C1COC1 1458a_100000758290_100000210303 [0,1,0,1,0,0|0,1,1]=4 2554 B9R1.73 CCCN(C)C1COC1 2230a_100102693430_100000210303 [0,1,0,1,0,0|2,0,0]=4 2555 B9R1.73 CCCN(C)C1COC1 269982a_100000747261_100000687716 [0,1,0,1,0,0|2,0,0]=4 2556 B9R1.73 CCCN(C)C1COC1 269982a_100102693430_100000210303 [0,1,0,1,0,0|2,0,0]=4 2557 B9R1.73 CCNC(=O)C1COC1 11a_100015525214_100000758290 [0,1,0,1,0,0|0,1,1]=4 2558 B9R1.73 CCNC(=O)C1COC1 240690a_100015525214_100000758290 [0,1,0,1,0,0|0,1,1]=4 2559 B9R1.73 CCNC(=O)C1COC1 527a_100015525214_100000758290 [0,1,0,1,0,0|0,1,1]=4 2560 B9R1.73 CCNC(C)C1CCC1 2230a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 2561 B9R1.73 CCNC(C)C1CCC1 269862a_100015525214_100000760154 [0,1,0,1,0,0|2,0,0]=4 2562 B9R1.73 CCNC(C)C1CCC1 34a_100016994624_100000210202 [0,1,0,1,0,0|2,0,0]=4 2563 B9R1.73 CCOC(C)C1CCC1 34a_100000766398_100000210202 [0,1,0,1,0,0|2,0,0]=4 2564 B9R1.73 CCOC(C)C1CCC1 7a_100000766398_100000210202 [0,1,0,1,0,0|2,0,0]=4 2565 B9R1.73 CN(CCF)C1COC1 2230a_100102693430_100011217306 [0,1,0,1,0,0|2,0,0]=4 2566 B9R1.73 CN(CCF)C1COC1 269982a_100102693430_100011217306 [0,1,0,1,0,0|2,0,0]=4 2567 B9R1.73 CN(CCO)C1CCC1 2230a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 2568 B9R1.73 CN(CCO)C1CCC1 269982a_100000210263_100000749161 [0,1,0,1,0,0|2,0,0]=4 2569 B9R1.73 CN(CCO)C1CCC1 269982a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 2570 B9R1.73 CN(CCO)C1CCC1 270004a_100000210263_100000241760 [0,1,0,1,0,0|2,0,0]=4 2571 B9R1.73 CN(CCO)C1CCC1 34a_100000758072_100000211926 [0,1,0,1,0,0|2,0,0]=4 2572 B9R1.73 CN(CCO)C1COC1 2230a_100102693430_100000211926 [0,1,0,1,0,0|2,0,0]=4 2573 B9R1.73 CN(CCO)C1COC1 269982a_100000210263_100000687716 [0,1,0,1,0,0|2,0,0]=4 2574 B9R1.73 CN(CCO)C1COC1 269982a_100102693430_100000211926 [0,1,0,1,0,0|2,0,0]=4 2575 B9R1.73 COCC(=O)C1COC1 1458a_100000210968_100000687716 [0,1,0,1,0,0|0,1,1]=4 2576 B9R1.73 COCC(C)N1CCC1 269982a_100000754969_100000765312 [0,1,0,1,0,0|2,0,0]=4 2577 B9R1.73 COCN(C)C1CCC1 2230a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 2578 B9R1.73 COCN(C)C1CCC1 269982a_100000758072_100000766300 [0,1,0,1,0,0|2,0,0]=4 2579 B9R1.73 COCN(C)C1COC1 2230a_100102693430_100000766300 [0,1,0,1,0,0|2,0,0]=4 2580 B9R1.73 COCN(C)C1COC1 269982a_100102693430_100000766300 [0,1,0,1,0,0|2,0,0]=4 2581 B9R1.73 COC[C@@H](N)C1COC1 34a_217856628679_200000210301 [0,1,0,1,0,0|1,0,0]=3 2582 B9R1.73 CSCC(=O)C1COC1 1458a_100000184570_100000687716 [0,1,0,1,0,0|0,1,1]=4 2583 B9R1.73 CSCN(C)C1COC1 2230a_100102693430_100011218213 [0,1,0,1,0,0|2,0,0]=4 2584 B9R1.73 CSCN(C)C1COC1 269982a_100102693430_100011218213 [0,1,0,1,0,0|2,0,0]=4 2585 B9R1.73 O=C(CCF)C1COC1 1458a_100000758290_100011217306 [0,1,0,1,0,0|0,1,1]=4 2586 B9R1.73 O=C(CCO)C1COC1 1458a_100000758290_100000211926 [0,1,0,1,0,0|0,1,1]=4 2587 B9R1.73 O=C(CCO)C1COC1 1458a_100011216618_100000687716 [0,1,0,1,0,0|0,1,1]=4 2588 B9R1.73 [13CH3]OC[C@@H](N)C1COC1 34a_217856628679_200025704644 [0,1,0,1,0,0|1,0,0]=3 2589 B9R1.74 CCNC(C)C1(CC1)C 269862a_100015525214_100000184723 [0,1,0,1,0,0|2,0,0]=4 2590 B9R1.74 CCNC(C)C1(CC1)F 269862a_100015525214_100000052362 [0,1,0,1,0,0|2,0,0]=4 2591 B9R1.82 CC(CO)N1CC(C1)F 2230a_100000690557_100012180447 [0,1,0,1,0,0|2,0,0]=4 2592 B9R1.82 CC(CO)N1CC(C1)F 34a_100000690557_100012180447 [0,1,0,1,0,0|2,0,0]=4 2593 B9R1.82 CC1CN(C1)C(C)CO 2230a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 2594 B9R1.82 CC1CN(C1)C(C)CO 34a_100000702820_100012180447 [0,1,0,1,0,0|2,0,0]=4 2595 B9R1.82 CC1CN(C1)[C@H](C)CO 269982a_100000702820_100016084084 [0,1,0,1,0,0|2,0,0]=4 2596 B9R1.82 CCC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210202 [0,1,0,1,0,0|0,1,1]=4 2597 B9R1.82 CCC(C)N1CC(C1)O 269982a_100000749847_100000758301 [0,1,0,1,0,0|2,0,0]=4 2598 B9R1.82 C[C@H](CO)N1CC(C1)F 269982a_100000690557_100016084084 [0,1,0,1,0,0|2,0,0]=4 2599 B9R1.82 C[C@H](CO)N1CC(C1)O 269982a_100000749847_100016084084 [0,1,0,1,0,0|2,0,0]=4 2600 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210303 [0,1,0,1,0,0|2,0,0]=4 2601 B9R1.135 CCCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000210303 [0,1,0,1,0,0|2,0,0]=4 2602 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000766300 [0,1,0,1,0,0|2,0,0]=4 2603 B9R1.135 COCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000766300 [0,1,0,1,0,0|2,0,0]=4 2604 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100011218213 [0,1,0,1,0,0|2,0,0]=4 2605 B9R1.135 CSCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100011218213 [0,1,0,1,0,0|2,0,0]=4 2606 B9R1.135 C[C@H]1[C@H](CN1CCF)O 2230a_206633788156_100011217306 [0,1,0,1,0,0|2,0,0]=4 2607 B9R1.135 C[C@H]1[C@H](CN1CCF)O 269982a_206633788156_100011217306 [0,1,0,1,0,0|2,0,0]=4 2608 B9R1.135 C[C@H]1[C@H](CN1CCO)O 2230a_206633788156_100000211926 [0,1,0,1,0,0|2,0,0]=4 2609 B9R1.135 C[C@H]1[C@H](CN1CCO)O 269982a_206633788156_100000211926 [0,1,0,1,0,0|2,0,0]=4 2610 B9R1.186 CC(N[13CH3])C1(COC1)O 2230a_200049820742_200025704644 [0,1,0,1,0,0|2,0,0]=4 2611 B9R1.186 CC(O[13CH3])C1(COC1)C 7a_200021536307_200025704644 [0,1,0,1,0,0|2,0,0]=4 2612 B9R1.186 CCC(=O)C1(COC1)C 1458a_100000094709_100000210202 [0,1,0,1,0,0|0,1,1]=4 2613 B9R1.186 CCC(=O)C1(COC1)O 1458a_100010273515_100000210202 [0,1,0,1,0,0|0,1,1]=4 2614 B9R1.186 CNC(C)C1(COC1)C 269862a_106832991636_100000733806 [0,1,0,1,0,0|2,0,0]=4 2615 B9R1.186 CNC(C)C1(COC1)O 2230a_200049820742_200000210301 [0,1,0,1,0,0|2,0,0]=4 2616 B9R1.186 COC(C)C1(COC1)C 7a_200021536307_200000210301 [0,1,0,1,0,0|2,0,0]=4 2617 B9R1.202 CN1CCC[C@@]1(C)CO 2230a_100016195882_200000210301 [0,1,0,1,0,0|2,0,0]=4 2618 B9R1.202 CN1CCC[C@@]1(C)CO 269982a_100016195882_200000210301 [0,1,0,1,0,0|2,0,0]=4 2619 B9R1.202 CN1CCC[C@@]1(C)CO 34a_100016195882_200000210301 [0,1,0,1,0,0|2,0,0]=4 2620 B9R1.202 C[C@]1(CCCN1[13CH3])CO 2230a_100016195882_200025704644 [0,1,0,1,0,0|2,0,0]=4 2621 B9R1.202 C[C@]1(CCCN1[13CH3])CO 269982a_100016195882_200025704644 [0,1,0,1,0,0|2,0,0]=4 2622 B9R1.202 C[C@]1(CCCN1[13CH3])CO 34a_100016195882_200025704644 [0,1,0,1,0,0|2,0,0]=4 2623 B9R1.24 CCN1COCC1(C)C 2230a_100000043020_100000210202 [0,1,0,1,0,0|2,0,0]=4 2624 B9R1.24 CCN1COCC1(C)C 269982a_100000043020_100000204670 [0,1,0,1,0,0|2,0,0]=4 2625 B9R1.40 CC1(COCCN1[13CH3])C 2230a_100000724681_200025704644 [0,1,0,1,0,0|2,0,0]=4 2626 B9R1.40 CC1(COCCN1[13CH3])C 269982a_100000724681_200025704644 [0,1,0,1,0,0|2,0,0]=4 2627 B9R1.40 CC1(COCCN1[13CH3])C 34a_100000724681_200025704644 [0,1,0,1,0,0|2,0,0]=4 2628 B9R1.40 CN1CCOCC1(C)C 2230a_100000724681_200000210301 [0,1,0,1,0,0|2,0,0]=4 2629 B9R1.40 CN1CCOCC1(C)C 269982a_100000724681_200000210301 [0,1,0,1,0,0|2,0,0]=4 2630 B9R1.40 CN1CCOCC1(C)C 34a_100000724681_200000210301 [0,1,0,1,0,0|2,0,0]=4 2631 B9R1.190 CCC(=O)C1(CC1)CO 1458a_100012027107_100000210202 [0,1,0,1,0,0|0,1,1]=4 2632 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [0,1,0,1,0,0|2,0,0]=4 2633 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [0,1,0,1,0,0|2,0,0]=4 2634 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [0,1,0,1,0,0|2,0,0]=4 2635 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [0,1,0,1,0,0|2,0,0]=4 2636 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [0,1,0,1,0,0|2,0,0]=4 2637 B9R1.14 OC[C@H]1CCCN1CF 269982a_100000745186_100015361967 [0,1,0,1,0,0|2,0,0]=4 2638 B9R1.14 OC[C@H]1CCCN1CF 34a_100000745186_100015361967 [0,1,0,1,0,0|2,0,0]=4 2639 B9R1.70 CCN(CC)C1COC1 2230a_200015199590_100000210202 [0,1,0,1,0,0|2,0,0]=4 2640 B9R1.70 CCN(CC)C1COC1 269956a_100000042499_100009818527 [0,1,0,1,0,0|2,0,0]=4 2641 B9R1.70 CCN(CC)C1COC1 269982a_100000724800_100000687716 [0,1,0,1,0,0|2,0,0]=4 2642 B9R1.70 CCN(CC)C1COC1 269982a_200015199590_100000204670 [0,1,0,1,0,0|2,0,0]=4 2643 B9R1.70 CCN(CF)C1COC1 269982a_200015199590_100015361967 [0,1,0,1,0,0|2,0,0]=4 2644 B9R1.70 CN[C@H](CO)C1COC1 2230a_217856628679_200000210301 [0,1,0,1,0,0|1,1,0]=4 2645 B9R1.70 CN[C@H](CO)C1COC1 34a_217856628679_200000210301 [0,1,0,1,0,0|1,1,0]=4 2646 B9R1.70 [13CH3]N[C@H](CO)C1COC1 2230a_217856628679_200025704644 [0,1,0,1,0,0|1,1,0]=4 2647 B9R1.70 [13CH3]N[C@H](CO)C1COC1 34a_217856628679_200025704644 [0,1,0,1,0,0|1,1,0]=4 2648 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 2649 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 2650 B9R2.39 CN1C[C@H]2C[C@@H]1CO2 34a_100016995552_200000210301 [0,0,0,2,0,0|2,0,0]=4 2651 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 2230a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4 2652 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 269982a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4 2653 B9R2.39 [13CH3]N1C[C@H]2C[C@@H]1CO2 34a_100016995552_200025704644 [0,0,0,2,0,0|2,0,0]=4 2654 B9R2.91 C1CN(C1)C2COC2 269982a_100000754969_100000687716 [0,0,0,2,0,0|2,0,0]=4 2655 B9R2.140 CN1CCC12COC2 2230a_100015204706_200000210301 [0,0,0,2,0,0|2,0,0]=4 2656 B9R2.140 CN1CCC12COC2 269982a_100015204706_200000210301 [0,0,0,2,0,0|2,0,0]=4 2657 B9R2.140 [13CH3]N1CCC12COC2 2230a_100015204706_200025704644 [0,0,0,2,0,0|2,0,0]=4 2658 B9R2.140 [13CH3]N1CCC12COC2 269982a_100015204706_200025704644 [0,0,0,2,0,0|2,0,0]=4 2659 B9R0.24 CC(CF)OC[C@@H](C)CO 34a_100016041109_100000059175 [0,0,0,0,0,2|2,0,0]=4 2660 B9R0.24 CC(CF)OC[C@@H](C)CO 7a_100016041109_100000059175 [0,0,0,0,0,2|2,0,0]=4 2661 B9R0.24 CC(CN)COC(C)CO 34a_100000744482_100012180447 [0,0,0,0,0,2|2,0,0]=4 2662 B9R0.24 CC(CN)OC[C@@H](C)CO 34a_100000210904_100000059175 [0,0,0,0,0,2|2,0,0]=4 2663 B9R0.24 CC(CO)CNC(C)CO 34a_100000744482_100012180447 [0,0,0,0,0,2|2,0,0]=4 2664 B9R0.24 CC(CO)NC[C@@H](F)CO 34a_100015665980_100012180447 [0,0,0,0,0,2|2,0,0]=4 2665 B9R0.24 CC(CO)NC[C@H](O)CO 2230a_100020644852_100012180447 [0,0,0,0,0,2|1,1,0]=4 2666 B9R0.24 CC(CO)OCC(Cl)CCl 34a_100000033668_100012180447 [0,0,0,0,0,2|2,0,0]=4 2667 B9R0.24 CC(CO)OC[C@H](F)CN 34a_100015665980_100012180447 [0,0,0,0,0,2|2,0,0]=4 2668 B9R0.24 CC(CO)SCC(O)CO 62a_100012180447_100011219619 [0,0,0,0,0,2|1,1,0]=4 2669 B9R0.24 CC(CO)SC[C@@H](C)CO 62a_100012180447_100000059175 [0,0,0,0,0,2|2,0,0]=4 2670 B9R0.24 CC(CO)SC[C@@H](O)CF 62a_100012180447_100015614560 [0,0,0,0,0,2|1,1,0]=4 2671 B9R0.24 CC(CO)SC[C@@H](O)CO 62a_100012180447_100009815848 [0,0,0,0,0,2|1,1,0]=4 2672 B9R0.24 CCC(=O)COC(C)CO 34a_100000725409_100012180447 [0,0,0,0,0,2|0,1,1]=4 2673 B9R0.24 CCC(=O)CSC(C)CO 62a_100012180447_100000747405 [0,0,0,0,0,2|0,1,1]=4 2674 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100000747405_100016084084 [0,0,0,0,0,2|0,1,1]=4 2675 B9R0.24 CCC(=O)CS[C@H](C)CO 62a_100016084084_100000747405 [0,0,0,0,0,2|0,1,1]=4 2676 B9R0.24 CCC(=O)NCC(C)CO 240690a_100000744482_100000210414 [0,0,0,0,0,2|0,1,1]=4 2677 B9R0.24 CCC(=O)NCC(C)CO 527a_100000744482_100000210414 [0,0,0,0,0,2|0,1,1]=4 2678 B9R0.24 CCC(C)CNC(C)CC 2230a_100000209981_100000748023 [0,0,0,0,0,2|2,0,0]=4 2679 B9R0.24 CCC(C)CNC(C)CC 2230a_100020588543_100000758301 [0,0,0,0,0,2|2,0,0]=4 2680 B9R0.24 CCC(C)CNC(C)CC 270004a_100000209981_100000243153 [0,0,0,0,0,2|2,0,0]=4 2681 B9R0.24 CCC(C)CNC(C)CO 2230a_100020588543_100012180447 [0,0,0,0,0,2|1,0,0]=3 2682 B9R0.24 CCC(C)CN[C@H](C)CF 270004a_100102880703_100000243153 [0,0,0,0,0,2|2,0,0]=4 2683 B9R0.24 CCC(C)CN[C@H](C)CO 2230a_100000737577_100000748023 [0,0,0,0,0,2|1,0,0]=3 2684 B9R0.24 CCC(C)CN[C@H](C)CO 270004a_100000737577_100000243153 [0,0,0,0,0,2|1,0,0]=3 2685 B9R0.24 CCC(C)COC(C)CC 7a_100000210228_100000748023 [0,0,0,0,0,2|2,0,0]=4 2686 B9R0.24 CCC(C)COC(C)CF 34a_100016041109_100000748023 [0,0,0,0,0,2|2,0,0]=4 2687 B9R0.24 CCC(C)COC(C)CF 7a_100016041109_100000748023 [0,0,0,0,0,2|2,0,0]=4 2688 B9R0.24 CCC(C)COC(C)CN 34a_100000210904_100000748023 [0,0,0,0,0,2|2,0,0]=4 2689 B9R0.24 CCC(C)CSC(C)CC 62a_100000748023_100000758301 [0,0,0,0,0,2|2,0,0]=4 2690 B9R0.24 CCC(C)CSC(C)CC 62a_100000758301_100000748023 [0,0,0,0,0,2|2,0,0]=4 2691 B9R0.24 CCC(C)CSC(C)CO 62a_100012180447_100000748023 [0,0,0,0,0,2|1,0,0]=3 2692 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100000748023_100016084084 [0,0,0,0,0,2|1,0,0]=3 2693 B9R0.24 CCC(C)CS[C@H](C)CO 62a_100016084084_100000748023 [0,0,0,0,0,2|1,0,0]=3 2694 B9R0.24 CCC(C)NCC(C)CO 34a_100000744482_100011215416 [0,0,0,0,0,2|1,0,0]=3 2695 B9R0.24 CCC(C)NCC(O)CO 2230a_100000209981_100011219619 [0,0,0,0,0,2|2,0,0]=4 2696 B9R0.24 CCC(C)NC[C@@H](C)CC 2230a_100000209981_100009816398 [0,0,0,0,0,2|2,0,0]=4 2697 B9R0.24 CCC(C)NC[C@@H](C)CO 2230a_100000209981_100000059175 [0,0,0,0,0,2|1,0,0]=3 2698 B9R0.24 CCC(C)NC[C@@H](F)CO 34a_100015665980_100011215416 [0,0,0,0,0,2|2,0,0]=4 2699 B9R0.24 CCC(C)NC[C@@H](O)CO 2230a_100000209981_100009815848 [0,0,0,0,0,2|2,0,0]=4 2700 B9R0.24 CCC(C)NC[C@H](O)CO 2230a_100020644852_100000758301 [0,0,0,0,0,2|2,0,0]=4 2701 B9R0.24 CCC(C)NN=C(C)CO 4a_100000718999_100000211253 [0,0,0,0,0,2|1,0,1]=4 2702 B9R0.24 CCC(C)OCC(C)CN 34a_100000744482_100011215416 [0,0,0,0,0,2|2,0,0]=4 2703 B9R0.24 CCC(C)OCC(O)CO 7a_100000210228_100011219619 [0,0,0,0,0,2|2,0,0]=4 2704 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100000210228_100009816398 [0,0,0,0,0,2|2,0,0]=4 2705 B9R0.24 CCC(C)OC[C@@H](C)CC 7a_100009816381_100000758301 [0,0,0,0,0,2|2,0,0]=4 2706 B9R0.24 CCC(C)OC[C@@H](C)CO 7a_100000210228_100000059175 [0,0,0,0,0,2|1,0,0]=3 2707 B9R0.24 CCC(C)OC[C@@H](O)CO 7a_100000210228_100009815848 [0,0,0,0,0,2|2,0,0]=4 2708 B9R0.24 CCC(C)SCC(O)CO 62a_100000758301_100011219619 [0,0,0,0,0,2|2,0,0]=4 2709 B9R0.24 CCC(C)SCC(O)CO 62a_100011219619_100000758301 [0,0,0,0,0,2|2,0,0]=4 2710 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100000758301_100009816398 [0,0,0,0,0,2|2,0,0]=4 2711 B9R0.24 CCC(C)SC[C@@H](C)CC 62a_100009816398_100000758301 [0,0,0,0,0,2|2,0,0]=4 2712 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000059175_100000758301 [0,0,0,0,0,2|1,0,0]=3 2713 B9R0.24 CCC(C)SC[C@@H](C)CO 62a_100000758301_100000059175 [0,0,0,0,0,2|1,0,0]=3 2714 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100000758301_100009815848 [0,0,0,0,0,2|2,0,0]=4 2715 B9R0.24 CCC(C)SC[C@@H](O)CO 62a_100009815848_100000758301 [0,0,0,0,0,2|2,0,0]=4 2716 B9R0.24 CCC(O)CNC(C)CC 2230a_100000209981_100011218378 [0,0,0,0,0,2|1,1,0]=4 2717 B9R0.24 CCC(O)CNC(C)CC 2230a_100011218483_100000758301 [0,0,0,0,0,2|1,1,0]=4 2718 B9R0.24 CCC(O)CNC(C)CO 2230a_100011218483_100012180447 [0,0,0,0,0,2|0,1,0]=3 2719 B9R0.24 CCC(O)CN[C@H](C)CO 2230a_100000737577_100011218378 [0,0,0,0,0,2|0,1,0]=3 2720 B9R0.24 CCC(O)COC(C)CC 7a_100000210228_100011218378 [0,0,0,0,0,2|1,1,0]=4 2721 B9R0.24 CCC(O)COC(C)CF 34a_100016041109_100011218378 [0,0,0,0,0,2|1,1,0]=4 2722 B9R0.24 CCC(O)COC(C)CF 7a_100016041109_100011218378 [0,0,0,0,0,2|1,1,0]=4 2723 B9R0.24 CCC(O)COC(C)CN 34a_100000210904_100011218378 [0,0,0,0,0,2|1,1,0]=4 2724 B9R0.24 CCC(O)CSC(C)CC 62a_100000758301_100011218378 [0,0,0,0,0,2|1,1,0]=4 2725 B9R0.24 CCC(O)CSC(C)CC 62a_100011218378_100000758301 [0,0,0,0,0,2|1,1,0]=4 2726 B9R0.24 CCC(O)CSC(C)CO 62a_100012180447_100011218378 [0,0,0,0,0,2|0,1,0]=3 2727 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100011218378_100016084084 [0,0,0,0,0,2|0,1,0]=3 2728 B9R0.24 CCC(O)CS[C@H](C)CO 62a_100016084084_100011218378 [0,0,0,0,0,2|0,1,0]=3 2729 B9R0.24 CC[C@H](C)CN[C@H](C)CO 2230a_100000737577_100009816398 [0,0,0,0,0,2|1,0,0]=3 2730 B9R0.24 CC[C@H](C)COC(C)CF 34a_100016041109_100009816398 [0,0,0,0,0,2|2,0,0]=4 2731 B9R0.24 CC[C@H](C)COC(C)CF 7a_100016041109_100009816398 [0,0,0,0,0,2|2,0,0]=4 2732 B9R0.24 CC[C@H](C)COC(C)CN 34a_100000210904_100009816398 [0,0,0,0,0,2|2,0,0]=4 2733 B9R0.24 CC[C@H](C)COC(C)CO 7a_100009816381_100012180447 [0,0,0,0,0,2|1,0,0]=3 2734 B9R0.24 CC[C@H](C)CSC(C)CO 62a_100012180447_100009816398 [0,0,0,0,0,2|1,0,0]=3 2735 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100009816398_100016084084 [0,0,0,0,0,2|1,0,0]=3 2736 B9R0.24 CC[C@H](C)CS[C@H](C)CO 62a_100016084084_100009816398 [0,0,0,0,0,2|1,0,0]=3 2737 B9R0.24 COC(C)COC(C)CO 34a_100000690652_100012180447 [0,0,0,0,0,2|2,0,0]=4 2738 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100000059175_100009879195 [0,0,0,0,0,2|2,0,0]=4 2739 B9R0.24 COC(C)SC[C@@H](C)CO 62a_100009879195_100000059175 [0,0,0,0,0,2|2,0,0]=4 2740 B9R0.24 CO[C@H](C)CNC(C)CO 2230a_100020591295_100012180447 [0,0,0,0,0,2|2,0,0]=4 2741 B9R0.24 C[C@@H](CO)CN[C@H](C)CO 2230a_100000737577_100000059175 [0,0,0,0,0,2|2,0,0]=4 2742 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100000059175_100016084084 [0,0,0,0,0,2|2,0,0]=4 2743 B9R0.24 C[C@@H](CO)CS[C@H](C)CO 62a_100016084084_100000059175 [0,0,0,0,0,2|2,0,0]=4 2744 B9R0.24 C[C@H](CO)NCC(O)CO 2230a_100000737577_100011219619 [0,0,0,0,0,2|1,1,0]=4 2745 B9R0.24 C[C@H](CO)NC[C@@H](O)CF 2230a_100000737577_100015614560 [0,0,0,0,0,2|1,1,0]=4 2746 B9R0.24 C[C@H](CO)NC[C@@H](O)CO 2230a_100000737577_100009815848 [0,0,0,0,0,2|1,1,0]=4 2747 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100011219619_100016084084 [0,0,0,0,0,2|1,1,0]=4 2748 B9R0.24 C[C@H](CO)SCC(O)CO 62a_100016084084_100011219619 [0,0,0,0,0,2|1,1,0]=4 2749 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100015614560_100016084084 [0,0,0,0,0,2|1,1,0]=4 2750 B9R0.24 C[C@H](CO)SC[C@@H](O)CF 62a_100016084084_100015614560 [0,0,0,0,0,2|1,1,0]=4 2751 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100009815848_100016084084 [0,0,0,0,0,2|1,1,0]=4 2752 B9R0.24 C[C@H](CO)SC[C@@H](O)CO 62a_100016084084_100009815848 [0,0,0,0,0,2|1,1,0]=4