0 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [0,0,0,0,0,0|1,0,2]=3 7 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [0,0,0,0,0,0|2,0,0]=2 12 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.3 CC(C)C(C)N[13CH3] 2230a_100000211541_200025704644 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.3 CC(C)C(C)O[13CH3] 7a_100000748068_200025704644 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [0,0,0,0,0,0|1,0,0]=1 27 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [0,0,0,0,0,0|1,0,0]=1 28 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [0,0,0,0,0,0|1,0,0]=1 29 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [0,0,0,0,0,0|3,0,0]=3 32 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [0,0,0,0,0,0|3,0,0]=3 33 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [0,0,0,0,0,0|3,0,0]=3 35 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 39 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.3 CCN(C)C(C)C 2230a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.3 CCN(C)C(C)C 2230a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.3 CCN(C)C(C)C 269982a_100000223864_200000210301 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CCN(C)C(C)C 269982a_100000225621_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 CCN(C)C(C)C 269982a_200000211004_100000204670 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.3 CCN([13CH3])C(C)C 2230a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CCN([13CH3])C(C)C 269982a_100000223864_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [0,0,0,0,0,0|3,0,1]=4 49 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [0,0,0,0,0,0|3,0,1]=4 50 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [0,0,0,0,0,0|3,0,1]=4 51 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [0,0,0,0,0,0|2,0,0]=2 52 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [0,0,0,0,0,0|2,0,0]=2 56 B6R0.3 CNC(C)C(C)C 2230a_100000211541_200000210301 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [0,0,0,0,0,0|2,0,0]=2 63 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [0,0,0,0,0,0|2,0,0]=2 66 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [0,0,0,0,0,0|2,0,0]=2 67 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [0,0,0,0,0,0|2,0,0]=2 68 B6R0.3 COC(C)C(C)C 7a_100000748068_200000210301 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.3 COC(C)N(C)C 269982a_100102631434_100009879195 [0,0,0,0,0,0|4,0,0]=4 70 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [0,0,0,0,0,0|3,0,0]=3 71 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [0,0,0,0,0,0|1,0,1]=2 73 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [0,0,0,0,0,0|2,0,0]=2 74 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [0,0,0,0,0,0|2,0,0]=2 75 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [0,0,0,0,0,0|2,0,0]=2 76 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [0,0,0,0,0,0|2,0,0]=2 77 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [0,0,0,0,0,0|2,0,0]=2 78 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [0,0,0,0,0,0|2,0,0]=2 79 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [0,0,0,0,0,0|2,0,0]=2 80 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [0,0,0,0,0,0|2,0,0]=2 81 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [0,0,0,0,0,0|3,0,0]=3 83 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [0,0,0,0,0,0|2,0,1]=3 85 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [0,0,0,0,0,0|2,0,0]=2 86 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [0,0,0,0,0,0|2,0,0]=2 87 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [0,0,0,0,0,0|2,0,0]=2 88 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [0,0,0,0,0,0|2,0,0]=2 89 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [0,0,0,0,0,0|1,0,0]=1 91 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [0,0,0,0,0,0|1,0,1]=2 92 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [0,0,0,0,0,0|3,0,0]=3 93 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [0,0,0,0,0,0|2,0,1]=3 97 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [1,0,0,0,0,0|1,0,2]=4 98 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [1,0,0,0,0,0|1,0,2]=4 99 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.1 C=C(C)CNC 2230a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 101 B5R0.1 C=C(C)CNC 34a_100102657272_100000748629 [1,0,0,0,0,0|3,0,0]=4 102 B5R0.1 C=C(C)CNC 7a_106832991635_100000748629 [1,0,0,0,0,0|3,0,0]=4 103 B5R0.1 C=C(C)COC 34a_100000210245_200000210301 [1,0,0,0,0,0|3,0,0]=4 104 B5R0.1 C=C(C)COC 34a_100138415774_100000748629 [1,0,0,0,0,0|3,0,0]=4 105 B5R0.1 C=C(C)CO[13CH3] 34a_100000210245_200025704644 [1,0,0,0,0,0|3,0,0]=4 106 B5R0.1 C=C(C)CSC 62a_100000748629_200000210301 [1,0,0,0,0,0|3,0,0]=4 107 B5R0.1 C=C(C)CSC 62a_200000210301_100000211660 [1,0,0,0,0,0|3,0,0]=4 108 B5R0.1 C=C(C)CS[13CH3] 62a_100000748629_200025704644 [1,0,0,0,0,0|3,0,0]=4 109 B5R0.1 C=C(C)CS[13CH3] 62a_200025704644_100000211660 [1,0,0,0,0,0|3,0,0]=4 110 B5R0.1 C=C(F)CNC 2230a_106832991635_100009893438 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.1 C=C(F)CNC 34a_100102657272_100009893438 [1,0,0,0,0,0|3,0,0]=4 112 B5R0.1 C=C(F)CNC 7a_106832991635_100000042424 [1,0,0,0,0,0|3,0,0]=4 113 B5R0.1 C=C(F)COC 34a_100138415774_100009893438 [1,0,0,0,0,0|3,0,0]=4 114 B5R0.1 C=C(F)COC 34a_200010262243_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B5R0.1 C=C(F)CO[13CH3] 34a_200010262243_200025704644 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.1 C=C(F)CSC 62a_100000042424_200000210301 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.1 C=C(F)CSC 62a_200000210301_100000042424 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 C=C(F)CS[13CH3] 62a_100000042424_200025704644 [1,0,0,0,0,0|3,0,0]=4 119 B5R0.1 C=C(F)CS[13CH3] 62a_200025704644_100000042424 [1,0,0,0,0,0|3,0,0]=4 120 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [1,0,0,0,0,0|1,0,2]=4 121 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.1 CC#CC(=O)C 1458a_100000763181_200000210301 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.1 CC#CC(=O)[13CH3] 1458a_100000763181_200025704644 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [1,0,0,0,0,0|2,0,1]=4 126 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [1,0,0,0,0,0|2,0,1]=4 127 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [1,0,0,0,0,0|2,0,0]=3 130 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.1 CC(O)CN[13CH3] 2230a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 132 B5R0.1 CC(O)CN[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 CC(O)CS[13CH3] 62a_100011218427_200025704644 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.1 CC(O)CS[13CH3] 62a_200025704644_100011218427 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [1,0,0,0,0,0|1,0,2]=4 137 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [1,0,0,0,0,0|1,0,0]=2 138 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [1,0,0,0,0,0|1,0,0]=2 139 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [1,0,0,0,0,0|1,0,0]=2 140 B5R0.1 CCCN(C)C 2230a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 141 B5R0.1 CCCN(C)C 2230a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 142 B5R0.1 CCCN(C)C 269982a_100000747261_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B5R0.1 CCCN(C)C 269982a_100102631434_100000210303 [1,0,0,0,0,0|3,0,0]=4 144 B5R0.1 CCCN(C)[13CH3] 2230a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B5R0.1 CCCN(C)[13CH3] 269982a_100000747261_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [1,0,0,0,0,0|2,0,0]=3 153 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [1,0,0,0,0,0|1,0,0]=2 154 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [1,0,0,0,0,0|1,0,1]=3 155 B5R0.1 CNCC(C)O 2230a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 156 B5R0.1 CNCC(C)O 2230a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.1 CNCC(C)O 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B5R0.1 CNCC(C)O 34a_100102657272_100011218427 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.1 CNCC(C)O 7a_106832991635_100011218427 [1,0,0,0,0,0|2,0,1]=4 160 B5R0.1 CNC[C@@H](C)O 2230a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.1 CNC[C@@H](C)O 34a_100102657272_100009817552 [1,0,0,0,0,0|2,0,1]=4 162 B5R0.1 CNC[C@@H](C)O 7a_106832991635_100009817552 [1,0,0,0,0,0|2,0,1]=4 163 B5R0.1 CNC[N+](=O)[O-] 34a_100102657272_100000761209 [1,0,0,0,0,0|2,0,1]=4 164 B5R0.1 CNNC(=O)C 22a_100016993582_100000070787 [1,0,0,0,0,0|3,0,0]=4 165 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [1,0,0,0,0,0|2,0,0]=3 166 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [1,0,0,0,0,0|2,0,0]=3 167 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [1,0,0,0,0,0|2,0,0]=3 168 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [1,0,0,0,0,0|2,0,0]=3 169 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [1,0,0,0,0,0|1,0,1]=3 170 B5R0.1 COCC(C)O 34a_100138415774_100011218427 [1,0,0,0,0,0|2,0,1]=4 171 B5R0.1 COC[C@@H](C)O 34a_100138415774_100009817552 [1,0,0,0,0,0|2,0,1]=4 172 B5R0.1 COC[N+](=O)[O-] 34a_100138415774_100000761209 [1,0,0,0,0,0|2,0,1]=4 173 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [1,0,0,0,0,0|2,0,0]=3 174 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [1,0,0,0,0,0|2,0,0]=3 175 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [1,0,0,0,0,0|2,0,0]=3 176 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [1,0,0,0,0,0|1,0,1]=3 178 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [1,0,0,0,0,0|1,0,1]=3 179 B5R0.1 CSCC(C)O 62a_100011218427_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CSCC(C)O 62a_200000210301_100011218427 [1,0,0,0,0,0|2,0,1]=4 181 B5R0.1 CSC[C@@H](C)O 62a_100009817552_200000210301 [1,0,0,0,0,0|2,0,1]=4 182 B5R0.1 CSC[C@@H](C)O 62a_200000210301_100009817552 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CSC[N+](=O)[O-] 62a_200000210301_100000761209 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 C[C@@H](O)CS[13CH3] 62a_100009817552_200025704644 [1,0,0,0,0,0|2,0,1]=4 185 B5R0.1 C[C@@H](O)CS[13CH3] 62a_200025704644_100009817552 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [1,0,0,0,0,0|2,0,0]=3 189 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [1,0,0,0,0,0|1,0,0]=2 190 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [1,0,0,0,0,0|2,0,0]=3 192 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [1,0,0,0,0,0|1,0,1]=3 193 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [1,0,0,0,0,0|1,0,1]=3 194 B5R0.1 [13CH3]SC[N+](=O)[O-] 62a_200025704644_100000761209 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.3 C#CC(C)NC 2230a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 196 B5R0.3 C#CC(C)NC 34a_100000707721_200000210301 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.3 C#CC(C)NC 34a_100102657272_200000035995 [1,0,0,0,0,0|2,0,1]=4 198 B5R0.3 C#CC(C)N[13CH3] 2230a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.3 C#CC(C)N[13CH3] 34a_100000707721_200025704644 [1,0,0,0,0,0|2,0,1]=4 200 B5R0.3 C#CC(C)OC 34a_100138415774_200000035995 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.3 C#CC(C)SC 62a_200000035995_200000210301 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.3 C#CC(C)S[13CH3] 62a_200000035995_200025704644 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.3 C#C[C@@H](C)OC 34a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.3 C#C[C@@H](C)OC 7a_100009815206_200000210301 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.3 C#C[C@@H](C)O[13CH3] 34a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.3 C#C[C@@H](C)O[13CH3] 7a_100009815206_200025704644 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [1,0,0,0,0,0|2,0,1]=4 208 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [1,0,0,0,0,0|2,0,0]=3 209 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [1,0,0,0,0,0|2,0,0]=3 212 B5R0.3 CC(C#N)N[13CH3] 2230a_100000737613_200025704644 [1,0,0,0,0,0|2,0,1]=4 213 B5R0.3 CC(C#N)O[13CH3] 34a_100011218135_200025704644 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.3 CC(C#N)S[13CH3] 62a_100000703298_200025704644 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.3 CC(C#N)S[13CH3] 62a_200025704644_100000703298 [1,0,0,0,0,0|2,0,1]=4 216 B5R0.3 CC(CF)O[13CH3] 34a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 217 B5R0.3 CC(CF)O[13CH3] 7a_100016041109_200025704644 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.3 CC(CN)O[13CH3] 34a_100000210904_200025704644 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [1,0,0,0,0,0|1,0,1]=3 220 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [1,0,0,0,0,0|1,0,2]=4 221 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [1,0,0,0,0,0|2,0,0]=3 222 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 223 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [1,0,0,0,0,0|2,0,0]=3 224 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [1,0,0,0,0,0|2,0,0]=3 227 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [1,0,0,0,0,0|2,0,0]=3 228 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [1,0,0,0,0,0|2,0,0]=3 229 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [1,0,0,0,0,0|2,0,0]=3 230 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [1,0,0,0,0,0|2,0,0]=3 231 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [1,0,0,0,0,0|2,0,0]=3 232 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.3 CCN(C)CC 2230a_100000225621_100000210202 [1,0,0,0,0,0|2,0,1]=4 234 B5R0.3 CCN(C)CC 2230a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.3 CCN(C)CC 269956a_100000042499_200000210301 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.3 CCN(C)CC 269982a_100000225621_100000204670 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.3 CCN(C)CC 269982a_100000724800_200000210301 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.3 CCN(C)CF 269982a_100000225621_100015361967 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.3 CCN([13CH3])CC 2230a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 240 B5R0.3 CCN([13CH3])CC 269956a_100000042499_200025704644 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.3 CCN([13CH3])CC 269982a_100000724800_200025704644 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.3 CNC(C)C#N 2230a_100000737613_200000210301 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.3 CNC(C)C#N 2230a_106832991635_100000184139 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.3 CNC(C)C#N 7a_106832991635_100000703298 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [1,0,0,0,0,0|1,0,1]=3 246 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [1,0,0,0,0,0|1,0,1]=3 247 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [1,0,0,0,0,0|1,0,1]=3 248 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.3 COC(C)C#N 34a_100011218135_200000210301 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.3 COC(C)CF 34a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.3 COC(C)CF 7a_100016041109_200000210301 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.3 COC(C)CN 34a_100000210904_200000210301 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [1,0,0,0,0,0|1,0,1]=3 254 B5R0.3 COC(C)SC 62a_100009879195_200000210301 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.3 COC(C)SC 62a_200000210301_100009879195 [1,0,0,0,0,0|3,0,0]=4 256 B5R0.3 COC(C)S[13CH3] 62a_100009879195_200025704644 [1,0,0,0,0,0|3,0,0]=4 257 B5R0.3 COC(C)S[13CH3] 62a_200025704644_100009879195 [1,0,0,0,0,0|3,0,0]=4 258 B5R0.3 CSC(C)C#N 62a_100000703298_200000210301 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.3 CSC(C)C#N 62a_200000210301_100000703298 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [1,0,0,0,0,0|1,0,1]=3 261 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [1,0,0,0,0,0|1,0,1]=3 262 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [1,0,0,0,0,0|1,0,1]=3 263 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [1,0,0,0,0,0|1,0,1]=3 264 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [1,0,0,0,0,0|1,0,1]=3 265 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [1,0,0,0,0,0|1,0,1]=3 266 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [1,0,0,0,0,0|1,0,2]=4 267 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [1,0,0,0,0,0|1,0,2]=4 268 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [1,0,0,0,0,0|1,0,0]=2 269 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [1,0,0,0,0,0|1,0,0]=2 270 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [1,0,0,0,0,0|2,0,0]=3 271 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [1,0,0,0,0,0|3,0,0]=4 272 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 273 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 274 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [1,0,0,0,0,0|2,0,0]=3 275 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [1,0,0,0,0,0|1,0,0]=2 279 B5R0.5 CC(C)N(C)C 2230a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.5 CC(C)N(C)C 269982a_100102631434_100000210206 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.5 CC(C)N(C)C 269982a_200000211004_200000210301 [1,0,0,0,0,0|3,0,0]=4 282 B5R0.5 CC(C)N(C)[13CH3] 269982a_200000211004_200025704644 [1,0,0,0,0,0|3,0,0]=4 283 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [1,0,0,0,0,0|2,0,0]=3 284 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [1,0,0,0,0,0|2,0,0]=3 285 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [1,0,0,0,0,0|3,0,0]=4 287 B7R0.5 C#CCN(C)C(=O)C 11a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.5 C#CCN(C)C(=O)C 1626a_100000225692_100015343762 [0,1,0,0,0,0|2,0,1]=4 289 B7R0.5 C#CCN(C)C(=O)C 527a_100000225692_100103153847 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [0,1,0,0,0,0|2,0,0]=3 291 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [0,1,0,0,0,0|1,0,1]=3 292 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [0,1,0,0,0,0|1,0,1]=3 293 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [0,1,0,0,0,0|2,0,1]=4 297 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [0,1,0,0,0,0|1,0,1]=3 300 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [0,1,0,0,0,0|1,0,0]=2 301 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 302 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [0,1,0,0,0,0|1,0,0]=2 303 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [0,1,0,0,0,0|2,0,0]=3 304 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.5 CC(=O)N(C)CC#N 11a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 307 B7R0.5 CC(=O)N(C)CC#N 1626a_100000748184_100015343762 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [0,1,0,0,0,0|2,0,0]=3 309 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [0,1,0,0,0,0|2,0,0]=3 310 B7R0.5 CC(CCO)N(C)C 2230a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.5 CC(CCO)N(C)C 2230a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 312 B7R0.5 CC(CCO)N(C)C 269982a_100000731037_200000210301 [0,1,0,0,0,0|3,0,0]=4 313 B7R0.5 CC(CCO)N(C)C 269982a_100102631434_100009893172 [0,1,0,0,0,0|3,0,0]=4 314 B7R0.5 CC(CCO)N(C)[13CH3] 2230a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.5 CC(CCO)N(C)[13CH3] 269982a_100000731037_200025704644 [0,1,0,0,0,0|3,0,0]=4 316 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [0,1,0,0,0,0|0,0,0]=1 317 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [0,1,0,0,0,0|1,0,1]=3 318 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [0,1,0,0,0,0|2,0,0]=3 320 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [0,1,0,0,0,0|2,0,0]=3 321 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [0,1,0,0,0,0|1,0,1]=3 322 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [0,1,0,0,0,0|1,0,1]=3 323 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [0,1,0,0,0,0|1,0,0]=2 324 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [0,1,0,0,0,0|1,0,0]=2 325 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [0,1,0,0,0,0|1,0,0]=2 326 B7R0.5 CCCC(C)N(C)C 2230a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 327 B7R0.5 CCCC(C)N(C)C 269982a_100102631434_100000766640 [0,1,0,0,0,0|3,0,0]=4 328 B7R0.5 CCCC(C)N(C)C 270004a_100102631434_100000211909 [0,1,0,0,0,0|3,0,0]=4 329 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 330 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 331 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [0,1,0,0,0,0|2,0,0]=3 332 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [0,1,0,0,0,0|2,0,0]=3 333 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [0,1,0,0,0,0|2,0,0]=3 334 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [0,1,0,0,0,0|2,0,0]=3 335 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [0,1,0,0,0,0|2,0,1]=4 336 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [0,1,0,0,0,0|2,0,1]=4 338 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [0,1,0,0,0,0|1,0,0]=2 339 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [0,1,0,0,0,0|1,0,0]=2 340 B7R0.5 CCNC(C)C(C)C 2230a_100000211541_100000210202 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [0,1,0,0,0,0|0,0,0]=1 343 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [0,1,0,0,0,0|1,0,0]=2 344 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [0,1,0,0,0,0|1,0,0]=2 345 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [0,1,0,0,0,0|1,0,0]=2 346 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [0,1,0,0,0,0|1,0,0]=2 347 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [0,1,0,0,0,0|1,0,0]=2 348 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [0,1,0,0,0,0|1,0,0]=2 349 B7R0.5 CCOC(C)C(C)C 7a_100000748068_100000210202 [0,1,0,0,0,0|2,0,1]=4 350 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [0,1,0,0,0,0|1,0,1]=3 352 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [0,1,0,0,0,0|0,0,1]=2 353 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [0,1,0,0,0,0|1,0,0]=2 354 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [0,1,0,0,0,0|1,0,0]=2 355 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [0,1,0,0,0,0|1,0,0]=2 356 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [0,1,0,0,0,0|1,0,0]=2 357 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [0,1,0,0,0,0|1,0,0]=2 358 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [0,1,0,0,0,0|1,0,0]=2 359 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [0,1,0,0,0,0|1,0,0]=2 360 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [0,1,0,0,0,0|1,0,0]=2 361 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [0,1,0,0,0,0|1,0,1]=3 364 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [0,1,0,0,0,0|1,0,1]=3 365 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [0,1,0,0,0,0|2,0,1]=4 366 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [0,1,0,0,0,0|0,0,0]=1 367 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [0,1,0,0,0,0|1,0,0]=2 368 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [0,1,0,0,0,0|2,0,1]=4 369 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [0,1,0,0,0,0|2,0,1]=4 370 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [0,1,0,0,0,0|1,0,0]=2 372 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [0,1,0,0,0,0|1,0,0]=2 373 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 374 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [0,1,0,0,0,0|1,0,0]=2 375 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [0,1,0,0,0,0|1,0,0]=2 376 B7R0.5 COCC(C)N(C)C 2230a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.5 COCC(C)N(C)C 269982a_100102631434_100000765312 [0,1,0,0,0,0|3,0,0]=4 378 B7R0.5 COCC(C)N(C)C 270004a_100102631434_100000749346 [0,1,0,0,0,0|3,0,0]=4 379 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [0,1,0,0,0,0|1,0,1]=3 380 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [0,1,0,0,0,0|1,0,1]=3 381 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 382 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [0,1,0,0,0,0|2,0,1]=4 383 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [0,1,0,0,0,0|2,0,1]=4 384 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [0,1,0,0,0,0|1,0,0]=2 385 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [0,1,0,0,0,0|1,0,0]=2 386 B7R0.5 CSCC(C)N(C)C 270004a_100102631434_100011216314 [0,1,0,0,0,0|3,0,0]=4 387 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [0,1,0,0,0,0|2,0,0]=3 389 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [0,1,0,0,0,0|2,0,0]=3 390 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [0,1,0,0,0,0|1,0,1]=3 392 B7R0.5 NC(=O)C(F)SCF 62a_100009813875_100015361967 [0,1,0,0,0,0|3,0,0]=4 393 B7R0.5 NC(=O)C(F)SCF 62a_100015361967_100009813875 [0,1,0,0,0,0|3,0,0]=4 394 B7R0.5 O=C([O-])C(F)SCF 62a_100015361967_100020610796 [0,1,0,0,0,0|2,0,1]=4 395 B7R0.5 O=C([O-])C(F)SCF 62a_100020610796_100015361967 [0,1,0,0,0,0|2,0,1]=4 396 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [0,1,0,0,0,0|1,0,0]=2 397 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 398 B7R0.10 C#CC(=O)C(C)C#C 1458a_100000211873_200000035995 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.10 C#CC(=O)C(C)C#N 1458a_100000211873_100000703298 [0,1,0,0,0,0|2,0,1]=4 400 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [0,1,0,0,0,0|1,0,0]=2 401 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [0,1,0,0,0,0|1,0,2]=4 402 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [0,1,0,0,0,0|0,0,2]=3 404 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [0,1,0,0,0,0|1,0,2]=4 406 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [0,1,0,0,0,0|1,0,2]=4 407 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [0,1,0,0,0,0|1,0,2]=4 408 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [0,1,0,0,0,0|3,0,0]=4 409 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [0,1,0,0,0,0|2,0,1]=4 410 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [0,1,0,0,0,0|1,0,0]=2 411 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [0,1,0,0,0,0|2,0,0]=3 412 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [0,1,0,0,0,0|2,0,0]=3 413 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [0,1,0,0,0,0|1,0,2]=4 415 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [0,1,0,0,0,0|1,0,2]=4 416 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 417 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 418 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [0,1,0,0,0,0|1,0,2]=4 419 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [0,1,0,0,0,0|1,0,1]=3 421 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [0,1,0,0,0,0|2,0,0]=3 422 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [0,1,0,0,0,0|2,0,1]=4 423 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [0,1,0,0,0,0|2,0,1]=4 424 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [0,1,0,0,0,0|2,0,1]=4 425 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [0,1,0,0,0,0|1,0,0]=2 426 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [0,1,0,0,0,0|1,0,0]=2 427 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 428 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [0,1,0,0,0,0|2,0,0]=3 433 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [0,1,0,0,0,0|2,0,0]=3 434 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [0,1,0,0,0,0|2,0,0]=3 435 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [0,1,0,0,0,0|2,0,0]=3 436 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [0,1,0,0,0,0|3,0,0]=4 437 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 438 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 439 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 440 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [0,1,0,0,0,0|2,0,0]=3 441 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [0,1,0,0,0,0|1,0,0]=2 442 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [0,1,0,0,0,0|0,0,0]=1 443 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [0,1,0,0,0,0|1,0,0]=2 444 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 445 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 446 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [0,1,0,0,0,0|1,0,0]=2 447 B7R0.10 CCC(C)C(C)NC 269862a_106832991636_100000210599 [0,1,0,0,0,0|2,0,1]=4 448 B7R0.10 CCC(C)C(C)NC 270004a_106832991635_100000210599 [0,1,0,0,0,0|2,0,1]=4 449 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [0,1,0,0,0,0|1,0,1]=3 450 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [0,1,0,0,0,0|1,0,1]=3 451 B7R0.10 CCC(C)N(C)CC 2230a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.10 CCC(C)N(C)CC 2230a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.10 CCC(C)N(C)CC 2230a_100000741768_100000210202 [0,1,0,0,0,0|3,0,0]=4 454 B7R0.10 CCC(C)N(C)CC 269982a_100000225621_100000758301 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.10 CCC(C)N(C)CC 269982a_100000732650_200000210301 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.10 CCC(C)N(C)CC 269982a_100000741768_100000204670 [0,1,0,0,0,0|3,0,0]=4 457 B7R0.10 CCC(C)N(C)CF 269982a_100000741768_100015361967 [0,1,0,0,0,0|3,0,0]=4 458 B7R0.10 CCC(C)N([13CH3])CC 2230a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 459 B7R0.10 CCC(C)N([13CH3])CC 269982a_100000732650_200025704644 [0,1,0,0,0,0|3,0,0]=4 460 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [0,1,0,0,0,0|2,0,0]=3 461 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [0,1,0,0,0,0|2,0,0]=3 462 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [0,1,0,0,0,0|1,0,0]=2 463 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [0,1,0,0,0,0|1,0,0]=2 464 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 465 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [0,1,0,0,0,0|2,0,0]=3 466 B7R0.10 CCN(C)C(C)CO 2230a_100000225621_100012180447 [0,1,0,0,0,0|2,0,1]=4 467 B7R0.10 CCN(C)C(C)CO 2230a_100000693034_100000210202 [0,1,0,0,0,0|2,0,1]=4 468 B7R0.10 CCN(C)C(C)CO 2230a_100000731049_200000210301 [0,1,0,0,0,0|2,0,1]=4 469 B7R0.10 CCN(C)C(C)CO 269982a_100000693034_100000204670 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.10 CCN(C)C(C)CO 269982a_100000731049_200000210301 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.10 CCN(C)C(C)OC 269982a_100000225621_100009879195 [0,1,0,0,0,0|2,0,1]=4 472 B7R0.10 CCN(C)[C@H](C)CO 269982a_100000225621_100016084084 [0,1,0,0,0,0|2,0,1]=4 473 B7R0.10 CCN([13CH3])C(C)CO 2230a_100000731049_200025704644 [0,1,0,0,0,0|2,0,1]=4 474 B7R0.10 CCN([13CH3])C(C)CO 269982a_100000731049_200025704644 [0,1,0,0,0,0|2,0,1]=4 475 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [0,1,0,0,0,0|2,0,1]=4 476 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [0,1,0,0,0,0|2,0,1]=4 477 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [0,1,0,0,0,0|2,0,1]=4 478 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [0,1,0,0,0,0|2,0,0]=3 484 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [0,1,0,0,0,0|2,0,0]=3 485 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [0,1,0,0,0,0|2,0,0]=3 486 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [0,1,0,0,0,0|2,0,0]=3 487 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 488 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 489 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [0,1,0,0,0,0|2,0,0]=3 490 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [0,1,0,0,0,0|2,0,0]=3 491 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [0,1,0,0,0,0|2,0,0]=3 492 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 493 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 494 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [0,1,0,0,0,0|2,0,0]=3 495 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [0,1,0,0,0,0|2,0,0]=3 496 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [0,1,0,0,0,0|2,0,0]=3 497 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [0,1,0,0,0,0|2,0,0]=3 498 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [0,1,0,0,0,0|2,0,0]=3 499 B7R0.10 CNC(=O)C(F)NC 2230a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.10 CNC(=O)C(F)NC 34a_100102657272_100009813575 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.10 CNC(=O)C(F)NC 7a_106832991635_100009813575 [0,1,0,0,0,0|3,0,0]=4 502 B7R0.10 CNC(=O)C(F)OC 34a_100138415774_100009813575 [0,1,0,0,0,0|3,0,0]=4 503 B7R0.10 CNC(=O)C(F)SC 62a_100009813575_200000210301 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.10 CNC(=O)C(F)SC 62a_200000210301_100009813575 [0,1,0,0,0,0|3,0,0]=4 505 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_100009813575_200025704644 [0,1,0,0,0,0|3,0,0]=4 506 B7R0.10 CNC(=O)C(F)S[13CH3] 62a_200025704644_100009813575 [0,1,0,0,0,0|3,0,0]=4 507 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [0,1,0,0,0,0|3,0,0]=4 508 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 509 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [0,1,0,0,0,0|2,0,0]=3 510 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 511 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [0,1,0,0,0,0|2,0,0]=3 512 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [0,1,0,0,0,0|1,0,0]=2 513 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [0,1,0,0,0,0|1,0,0]=2 514 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [0,1,0,0,0,0|1,0,0]=2 515 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [0,1,0,0,0,0|1,0,0]=2 516 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [0,1,0,0,0,0|1,0,0]=2 517 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [0,1,0,0,0,0|1,0,0]=2 518 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [0,1,0,0,0,0|1,0,0]=2 519 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [0,1,0,0,0,0|1,0,0]=2 520 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [0,1,0,0,0,0|1,0,0]=2 521 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [0,1,0,0,0,0|1,0,0]=2 522 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [0,1,0,0,0,0|2,0,0]=3 523 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [0,1,0,0,0,0|2,0,0]=3 524 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [0,1,0,0,0,0|2,0,0]=3 525 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [0,1,0,0,0,0|3,0,0]=4 526 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,1,0,0,0,0|1,0,2]=4 527 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,1,0,0,0,0|1,0,2]=4 528 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,1,0,0,0,0|1,0,2]=4 529 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,1,0,0,0,0|1,0,2]=4 530 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,1,0,0,0,0|1,0,2]=4 531 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,1,0,0,0,0|2,0,0]=3 533 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,1,0,0,0,0|2,0,0]=3 534 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,1,0,0,0,0|2,0,0]=3 536 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,1,0,0,0,0|2,0,0]=3 537 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,1,0,0,0,0|2,0,1]=4 539 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,1,0,0,0,0|2,0,0]=3 540 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,1,0,0,0,0|2,0,0]=3 541 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,1,0,0,0,0|2,0,0]=3 542 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,1,0,0,0,0|2,0,0]=3 544 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,1,0,0,0,0|2,0,0]=3 545 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,1,0,0,0,0|2,0,1]=4 548 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,1,0,0,0,0|2,0,1]=4 549 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,1,0,0,0,0|1,0,0]=2 550 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,1,0,0,0,0|1,0,0]=2 551 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 552 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,1,0,0,0,0|3,0,0]=4 553 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,1,0,0,0,0|3,0,0]=4 554 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 555 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,1,0,0,0,0|3,0,0]=4 556 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,1,0,0,0,0|1,0,0]=2 557 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,1,0,0,0,0|1,0,0]=2 558 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,1,0,0,0,0|2,0,0]=3 559 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,1,0,0,0,0|2,0,0]=3 560 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,1,0,0,0,0|2,0,0]=3 561 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,1,0,0,0,0|2,0,0]=3 562 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,1,0,0,0,0|2,0,0]=3 563 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,1,0,0,0,0|2,0,0]=3 564 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,1,0,0,0,0|2,0,0]=3 565 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,1,0,0,0,0|2,0,0]=3 566 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,1,0,0,0,0|3,0,0]=4 567 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,1,0,0,0,0|2,0,1]=4 568 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,1,0,0,0,0|2,0,0]=3 569 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,1,0,0,0,0|2,0,0]=3 570 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,1,0,0,0,0|2,0,0]=3 571 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,1,0,0,0,0|2,0,0]=3 572 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,1,0,0,0,0|2,0,0]=3 573 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,1,0,0,0,0|2,0,0]=3 574 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,1,0,0,0,0|2,0,0]=3 575 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,1,0,0,0,0|2,0,1]=4 576 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,1,0,0,0,0|2,0,0]=3 577 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,1,0,0,0,0|2,0,0]=3 579 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,1,0,0,0,0|2,0,0]=3 580 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,1,0,0,0,0|2,0,1]=4 581 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,1,0,0,0,0|3,0,0]=4 584 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,1,0,0,0,0|2,0,1]=4 586 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,1,0,0,0,0|3,0,0]=4 587 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,1,0,0,0,0|3,0,0]=4 588 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,1,0,0,0,0|2,0,1]=4 589 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.14 CCN(C)S(=O)(=O)C 40a_100000225621_100000738038 [0,1,0,0,0,0|2,0,1]=4 591 B7R0.14 CNC(C)C(C)(C)O 269862a_106832991636_100000747739 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.14 CN[C@@H](C)C(C)(C)O 2230a_100025708725_200000210301 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.14 C[C@H](N[13CH3])C(C)(C)O 2230a_100025708725_200025704644 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [0,1,0,0,0,0|0,0,2]=3 595 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [0,1,0,0,0,0|0,0,2]=3 596 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [0,1,0,0,0,0|1,0,0]=2 597 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [0,1,0,0,0,0|1,0,0]=2 598 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [0,1,0,0,0,0|1,0,0]=2 599 B7R0.15 CCC(CC)N(C)C 2230a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.15 CCC(CC)N(C)C 269982a_100000737045_200000210301 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.15 CCC(CC)N(C)C 269982a_100102631434_100000210505 [0,1,0,0,0,0|3,0,0]=4 602 B7R0.15 CCC(CC)N(C)C 270004a_100102631434_100000210860 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.15 CCC(CC)N(C)[13CH3] 2230a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.15 CCC(CC)N(C)[13CH3] 269982a_100000737045_200025704644 [0,1,0,0,0,0|3,0,0]=4 605 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [0,1,0,0,0,0|1,0,0]=2 606 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [0,1,0,0,0,0|1,0,0]=2 607 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [0,1,0,0,0,0|1,0,0]=2 608 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [0,1,0,0,0,0|1,0,0]=2 610 B7R0.15 CCC(NC)C(C)C 270004a_106832991635_100000210600 [0,1,0,0,0,0|2,0,1]=4 611 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [0,1,0,0,0,0|1,0,0]=2 612 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [0,1,0,0,0,0|1,0,0]=2 613 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [0,1,0,0,0,0|1,0,0]=2 614 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [0,1,0,0,0,0|1,0,0]=2 615 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [0,1,0,0,0,0|1,0,0]=2 616 B7R0.15 CCC(OC)C(C)C 34a_100011218073_200000210301 [0,1,0,0,0,0|2,0,1]=4 617 B7R0.15 CCC(OC)C(C)C 7a_100011218073_200000210301 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.15 CCC(O[13CH3])C(C)C 34a_100011218073_200025704644 [0,1,0,0,0,0|2,0,1]=4 619 B7R0.15 CCC(O[13CH3])C(C)C 7a_100011218073_200025704644 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [0,1,0,0,0,0|1,0,0]=2 621 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [0,1,0,0,0,0|1,0,0]=2 622 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [0,1,0,0,0,0|1,0,0]=2 623 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [0,1,0,0,0,0|1,0,0]=2 624 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 625 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [0,1,0,0,0,0|0,0,0]=1 629 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [0,1,0,0,0,0|0,0,0]=1 630 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [0,1,0,0,0,0|1,0,1]=3 631 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [0,1,0,0,0,0|1,0,1]=3 632 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [0,1,0,0,0,0|1,0,1]=3 633 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [0,1,0,0,0,0|1,0,1]=3 634 B7R0.15 CNC(C#N)C(=O)N 2230a_100000039599_200000210301 [0,1,0,0,0,0|2,0,1]=4 635 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [0,1,0,0,0,0|1,0,0]=2 636 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 637 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [0,1,0,0,0,0|2,0,0]=3 638 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [0,1,0,0,0,0|2,0,1]=4 639 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [0,1,0,0,0,0|2,0,1]=4 640 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [0,1,0,0,0,0|2,0,1]=4 643 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [0,1,0,0,0,0|2,0,1]=4 644 B7R0.15 [13CH3]NC(C#N)C(=O)N 2230a_100000039599_200025704644 [0,1,0,0,0,0|2,0,1]=4 645 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [0,1,0,0,0,0|1,0,0]=2 646 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 647 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,1,0,0,0,0|1,0,1]=3 649 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,1,0,0,0,0|1,0,1]=3 650 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,1,0,0,0,0|1,0,0]=2 651 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,1,0,0,0,0|1,0,2]=4 655 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,1,0,0,0,0|1,0,0]=2 664 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,1,0,0,0,0|1,0,0]=2 665 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,1,0,0,0,0|1,0,0]=2 666 B7R0.16 CC(C)C(C)N(C)C 2230a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 667 B7R0.16 CC(C)C(C)N(C)C 269982a_100000228512_200000210301 [0,1,0,0,0,0|3,0,0]=4 668 B7R0.16 CC(C)C(C)N(C)[13CH3] 2230a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 669 B7R0.16 CC(C)C(C)N(C)[13CH3] 269982a_100000228512_200025704644 [0,1,0,0,0,0|3,0,0]=4 670 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,1,0,0,0,0|2,0,0]=3 671 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 672 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,1,0,0,0,0|2,0,0]=3 674 B7R1.4 C[C@@H]1CCCN1C 2230a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 675 B7R1.4 C[C@@H]1CCCN1C 269982a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 676 B7R1.4 C[C@@H]1CCCN1C 34a_100015189458_200000210301 [0,0,0,1,0,0|3,0,0]=4 677 B7R1.4 C[C@@H]1CCCN1[13CH3] 2230a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 678 B7R1.4 C[C@@H]1CCCN1[13CH3] 269982a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 679 B7R1.4 C[C@@H]1CCCN1[13CH3] 34a_100015189458_200025704644 [0,0,0,1,0,0|3,0,0]=4 680 B7R1.4 C[C@H]1CCCN1C 2230a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 681 B7R1.4 C[C@H]1CCCN1C 269982a_100020605311_200000210301 [0,0,0,1,0,0|3,0,0]=4 682 B7R1.4 C[C@H]1CCCN1[13CH3] 2230a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 683 B7R1.4 C[C@H]1CCCN1[13CH3] 269982a_100020605311_200025704644 [0,0,0,1,0,0|3,0,0]=4 684 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [0,0,0,1,0,0|2,0,0]=3 685 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [0,0,0,1,0,0|2,0,0]=3 686 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [0,0,0,1,0,0|2,0,0]=3 687 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [0,0,0,1,0,0|2,0,0]=3 688 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [0,0,0,1,0,0|2,0,0]=3 689 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [0,0,0,1,0,0|2,0,0]=3 690 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [0,0,0,1,0,0|2,0,0]=3 691 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [0,0,0,1,0,0|1,0,0]=2 692 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [0,0,0,1,0,0|2,0,0]=3 693 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [0,0,0,1,0,0|1,0,0]=2 694 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [0,0,0,1,0,0|2,0,0]=3 695 B7R1.15 C[C@H]1[C@H](CN1C)O 2230a_206633788156_200000210301 [0,0,0,1,0,0|2,0,1]=4 696 B7R1.15 C[C@H]1[C@H](CN1C)O 269982a_206633788156_200000210301 [0,0,0,1,0,0|2,0,1]=4 697 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 2230a_206633788156_200025704644 [0,0,0,1,0,0|2,0,1]=4 698 B7R1.15 C[C@H]1[C@H](CN1[13CH3])O 269982a_206633788156_200025704644 [0,0,0,1,0,0|2,0,1]=4 699 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [0,0,0,1,0,0|1,0,0]=2 700 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [0,0,0,1,0,0|1,0,0]=2 701 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [0,0,0,1,0,0|2,0,0]=3 702 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [0,0,0,1,0,0|2,0,0]=3 703 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [0,0,0,1,0,0|2,0,0]=3 704 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 705 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [0,0,0,1,0,0|2,0,0]=3 706 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [0,0,0,1,0,0|2,0,0]=3 707 B7R1.18 CN(C)C1CCC1 2230a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 708 B7R1.18 CN(C)C1CCC1 269982a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 709 B7R1.18 CN(C)C1CCC1 269982a_100102631434_100000749161 [0,0,0,1,0,0|3,0,0]=4 710 B7R1.18 CN(C)C1CCC1 270004a_100102631434_100000241760 [0,0,0,1,0,0|3,0,0]=4 711 B7R1.18 CN(C)C1CCC1 34a_100000758072_200000210301 [0,0,0,1,0,0|3,0,0]=4 712 B7R1.18 CN([13CH3])C1CCC1 2230a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 713 B7R1.18 CN([13CH3])C1CCC1 269982a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 714 B7R1.18 CN([13CH3])C1CCC1 34a_100000758072_200025704644 [0,0,0,1,0,0|3,0,0]=4 715 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [0,0,0,1,0,0|1,0,0]=2 716 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [0,0,0,1,0,0|2,0,0]=3 717 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [0,0,0,1,0,0|2,0,0]=3 718 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [0,0,0,1,0,0|1,0,0]=2 719 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [0,0,0,1,0,0|2,0,0]=3 720 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [0,0,0,1,0,0|2,0,0]=3 721 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [0,0,0,1,0,0|1,0,0]=2 722 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [0,0,0,1,0,0|2,0,0]=3 723 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [0,0,0,1,0,0|2,0,0]=3 724 B7R1.22 CNC(C)C1CO1 270004a_106832991635_100000031964 [0,0,0,1,0,0|2,0,1]=4 725 B7R0.2 C#CC(C)NC(=O)C 11a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 726 B7R0.2 C#CC(C)NC(=O)C 1626a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 727 B7R0.2 C#CC(C)NC(=O)C 240690a_100000707721_100015343762 [0,0,0,0,0,1|1,0,2]=4 728 B7R0.2 C#CC(C)NC(=O)C 527a_100000707721_100103153847 [0,0,0,0,0,1|1,0,2]=4 729 B7R0.2 C=C(C)CN(C)CC 2230a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 730 B7R0.2 C=C(C)CN(C)CC 2230a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 731 B7R0.2 C=C(C)CN(C)CC 2230a_100000225649_100000210202 [0,0,0,0,0,1|3,0,0]=4 732 B7R0.2 C=C(C)CN(C)CC 269982a_100000211296_200000210301 [0,0,0,0,0,1|3,0,0]=4 733 B7R0.2 C=C(C)CN(C)CC 269982a_100000225621_100000748629 [0,0,0,0,0,1|3,0,0]=4 734 B7R0.2 C=C(C)CN(C)CC 269982a_100000225649_100000204670 [0,0,0,0,0,1|3,0,0]=4 735 B7R0.2 C=C(C)CN([13CH3])CC 2230a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 736 B7R0.2 C=C(C)CN([13CH3])CC 269982a_100000211296_200025704644 [0,0,0,0,0,1|3,0,0]=4 737 B7R0.2 C=C(F)CN(C)CC 2230a_100000225621_100009893438 [0,0,0,0,0,1|3,0,0]=4 738 B7R0.2 C=C(F)CN(C)CC 269982a_100000225621_100009893438 [0,0,0,0,0,1|3,0,0]=4 739 B7R0.2 C=CC(C)CC(=O)C 1458a_100011934298_200000210301 [0,0,0,0,0,1|1,0,2]=4 740 B7R0.2 C=CC(C)CC(=O)[13CH3] 1458a_100011934298_200025704644 [0,0,0,0,0,1|1,0,2]=4 741 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [0,0,0,0,0,1|3,0,0]=4 742 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [0,0,0,0,0,1|2,0,0]=3 743 B7R0.2 CC(=O)NC(C)C#N 11a_100000737613_100015343762 [0,0,0,0,0,1|2,0,1]=4 744 B7R0.2 CC(=O)NC(C)C#N 1626a_100000737613_100015343762 [0,0,0,0,0,1|2,0,1]=4 745 B7R0.2 CC(=O)NC(C)C#N 527a_100000737613_100103153847 [0,0,0,0,0,1|2,0,1]=4 746 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 747 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 748 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [0,0,0,0,0,1|2,0,0]=3 749 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [0,0,0,0,0,1|2,0,0]=3 750 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [0,0,0,0,0,1|2,0,0]=3 751 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [0,0,0,0,0,1|2,0,0]=3 752 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [0,0,0,0,0,1|2,0,0]=3 753 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [0,0,0,0,0,1|2,0,0]=3 754 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [0,0,0,0,0,1|1,0,1]=3 755 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [0,0,0,0,0,1|1,0,1]=3 756 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [0,0,0,0,0,1|2,0,1]=4 757 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [0,0,0,0,0,1|2,0,1]=4 758 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [0,0,0,0,0,1|2,0,1]=4 759 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [0,0,0,0,0,1|1,0,2]=4 760 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [0,0,0,0,0,1|1,0,0]=2 761 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [0,0,0,0,0,1|1,0,0]=2 762 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [0,0,0,0,0,1|1,0,0]=2 763 B7R0.2 CCC(C)CN(C)C 2230a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 764 B7R0.2 CCC(C)CN(C)C 2230a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 765 B7R0.2 CCC(C)CN(C)C 269982a_100000753921_200000210301 [0,0,0,0,0,1|3,0,0]=4 766 B7R0.2 CCC(C)CN(C)C 269982a_100102631434_100000748023 [0,0,0,0,0,1|3,0,0]=4 767 B7R0.2 CCC(C)CN(C)C 270004a_100102631434_100000243153 [0,0,0,0,0,1|3,0,0]=4 768 B7R0.2 CCC(C)CN(C)[13CH3] 2230a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 769 B7R0.2 CCC(C)CN(C)[13CH3] 269982a_100000753921_200025704644 [0,0,0,0,0,1|3,0,0]=4 770 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 771 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 772 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [0,0,0,0,0,1|1,0,0]=2 773 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [0,0,0,0,0,1|1,0,0]=2 774 B7R0.2 CCC(C)NC(C)C 2230a_100000209981_100000210206 [0,0,0,0,0,1|2,0,1]=4 775 B7R0.2 CCC(C)NC(C)C 2230a_100138425928_100000758301 [0,0,0,0,0,1|2,0,1]=4 776 B7R0.2 CCC(C)NC(C)C 34a_100138425928_100011215416 [0,0,0,0,0,1|2,0,1]=4 777 B7R0.2 CCC(C)OC(C)C 34a_100000212225_100011215416 [0,0,0,0,0,1|2,0,1]=4 778 B7R0.2 CCC(C)OC(C)C 7a_100000210228_100000210206 [0,0,0,0,0,1|2,0,1]=4 779 B7R0.2 CCC(C)SC(C)C 62a_100000210206_100000758301 [0,0,0,0,0,1|2,0,1]=4 780 B7R0.2 CCC(C)SC(C)C 62a_100000758301_100000210206 [0,0,0,0,0,1|2,0,1]=4 781 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [0,0,0,0,0,1|2,0,0]=3 782 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [0,0,0,0,0,1|2,0,0]=3 783 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [0,0,0,0,0,1|2,0,0]=3 784 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [0,0,0,0,0,1|2,0,0]=3 785 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [0,0,0,0,0,1|2,0,0]=3 786 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [0,0,0,0,0,1|2,0,0]=3 787 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [0,0,0,0,0,1|2,0,0]=3 788 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [0,0,0,0,0,1|1,0,0]=2 789 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [0,0,0,0,0,1|1,0,0]=2 790 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [0,0,0,0,0,1|2,0,0]=3 791 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [0,0,0,0,0,1|1,0,1]=3 792 B7R0.2 CCN(C)CC(C)O 2230a_100000225621_100011218427 [0,0,0,0,0,1|2,0,1]=4 793 B7R0.2 CCN(C)CC(C)O 2230a_100000227577_100000210202 [0,0,0,0,0,1|2,0,1]=4 794 B7R0.2 CCN(C)CC(C)O 269982a_100000225621_100011218427 [0,0,0,0,0,1|2,0,1]=4 795 B7R0.2 CCN(C)CC(C)O 269982a_100000227577_100000204670 [0,0,0,0,0,1|2,0,1]=4 796 B7R0.2 CCN(C)C[C@@H](C)O 2230a_100000225621_100009817552 [0,0,0,0,0,1|2,0,1]=4 797 B7R0.2 CCN(C)C[C@@H](C)O 269982a_100000225621_100009817552 [0,0,0,0,0,1|2,0,1]=4 798 B7R0.2 CCN(C)C[C@H](C)O 2230a_100000729506_200000210301 [0,0,0,0,0,1|2,0,1]=4 799 B7R0.2 CCN(C)C[C@H](C)O 269982a_100000729506_200000210301 [0,0,0,0,0,1|2,0,1]=4 800 B7R0.2 CCN(C)C[N+](=O)[O-] 269982a_100000225621_100000761209 [0,0,0,0,0,1|2,0,1]=4 801 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [0,0,0,0,0,1|1,0,0]=2 802 B7R0.2 CCN([13CH3])C[C@H](C)O 2230a_100000729506_200025704644 [0,0,0,0,0,1|2,0,1]=4 803 B7R0.2 CCN([13CH3])C[C@H](C)O 269982a_100000729506_200025704644 [0,0,0,0,0,1|2,0,1]=4 804 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [0,0,0,0,0,1|1,0,0]=2 805 B7R0.2 CC[C@H](C)CN(C)C 2230a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 806 B7R0.2 CC[C@H](C)CN(C)C 269982a_100102631434_100009816398 [0,0,0,0,0,1|3,0,0]=4 807 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [0,0,0,0,0,1|2,0,0]=3 808 B7R0.2 CN(CO)CC(=O)[O-] 269956a_100016989150_200000210301 [0,0,0,0,0,1|2,0,1]=4 809 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [0,0,0,0,0,1|3,0,0]=4 810 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [0,0,0,0,0,1|2,0,0]=3 811 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [0,0,0,0,0,1|2,0,0]=3 812 B7R0.2 [13CH3]N(CO)CC(=O)[O-] 269956a_100016989150_200025704644 [0,0,0,0,0,1|2,0,1]=4 813 B4R0.1 CC(=O)CF 1458a_100000070787_100015361967 [2,0,0,0,0,0|1,0,1]=4 814 B4R0.1 CC(=O)CO 1458a_100000210174_200000210301 [2,0,0,0,0,0|1,0,1]=4 815 B4R0.1 CC(C)N[13CH3] 2230a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 816 B4R0.1 CC(C)N[13CH3] 34a_100138425928_200025704644 [2,0,0,0,0,0|1,0,1]=4 817 B4R0.1 CC(C)O[13CH3] 34a_100000212225_200025704644 [2,0,0,0,0,0|1,0,1]=4 818 B4R0.1 CC(C)S[13CH3] 62a_100000210206_200025704644 [2,0,0,0,0,0|1,0,1]=4 819 B4R0.1 CC(C)S[13CH3] 62a_200025704644_100000210206 [2,0,0,0,0,0|1,0,1]=4 820 B4R0.1 CCC(=O)C 1458a_100000070787_100000210202 [2,0,0,0,0,0|0,0,1]=3 821 B4R0.1 CCC(=O)C 1458a_100000210414_200000210301 [2,0,0,0,0,0|0,0,1]=3 822 B4R0.1 CCC(=O)[13CH3] 1458a_100000210414_200025704644 [2,0,0,0,0,0|0,0,1]=3 823 B4R0.1 CCN(C)C 2230a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 824 B4R0.1 CCN(C)C 2230a_100102631434_100000210202 [2,0,0,0,0,0|1,0,1]=4 825 B4R0.1 CCN(C)C 269982a_100000225621_200000210301 [2,0,0,0,0,0|1,0,1]=4 826 B4R0.1 CCN(C)C 269982a_100102631434_100000204670 [2,0,0,0,0,0|1,0,1]=4 827 B4R0.1 CCN(C)[13CH3] 2230a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 828 B4R0.1 CCN(C)[13CH3] 269982a_100000225621_200025704644 [2,0,0,0,0,0|1,0,1]=4 829 B4R0.1 CNC(=O)C 11a_106832991635_100015343762 [2,0,0,0,0,0|1,0,1]=4 830 B4R0.1 CNC(=O)C 1626a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 831 B4R0.1 CNC(=O)C 240690a_100102657272_100015343762 [2,0,0,0,0,0|1,0,1]=4 832 B4R0.1 CNC(=O)C 527a_100102657272_100103153847 [2,0,0,0,0,0|1,0,1]=4 833 B4R0.1 CNC(C)C 2230a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 834 B4R0.1 CNC(C)C 2230a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 835 B4R0.1 CNC(C)C 34a_100102657272_100000210206 [2,0,0,0,0,0|1,0,1]=4 836 B4R0.1 CNC(C)C 34a_100138425928_200000210301 [2,0,0,0,0,0|1,0,1]=4 837 B4R0.1 CNC(C)C 7a_106832991635_100000210206 [2,0,0,0,0,0|1,0,1]=4 838 B4R0.1 COC(C)C 34a_100000212225_200000210301 [2,0,0,0,0,0|1,0,1]=4 839 B4R0.1 COC(C)C 34a_100138415774_100000210206 [2,0,0,0,0,0|1,0,1]=4 840 B4R0.1 CSC(C)C 62a_100000210206_200000210301 [2,0,0,0,0,0|1,0,1]=4 841 B4R0.1 CSC(C)C 62a_200000210301_100000210206 [2,0,0,0,0,0|1,0,1]=4 842 B4R0.1 [13CH3]C(=O)CO 1458a_100000210174_200025704644 [2,0,0,0,0,0|1,0,1]=4 843 B4R0.2 C=CCNC 2230a_100020586998_200000210301 [2,0,0,0,0,0|2,0,0]=4 844 B4R0.2 C=CCNC 2230a_106832991635_100000210623 [2,0,0,0,0,0|2,0,0]=4 845 B4R0.2 C=CCNC 34a_100102657272_100015514636 [2,0,0,0,0,0|2,0,0]=4 846 B4R0.2 C=CCNC 7a_106832991635_100015514636 [2,0,0,0,0,0|2,0,0]=4 847 B4R0.2 C=CCN[13CH3] 2230a_100020586998_200025704644 [2,0,0,0,0,0|2,0,0]=4 848 B4R0.2 C=CCOC 34a_100138415774_100015514636 [2,0,0,0,0,0|2,0,0]=4 849 B4R0.2 C=CCOC 34a_200000210373_200000210301 [2,0,0,0,0,0|2,0,0]=4 850 B4R0.2 C=CCO[13CH3] 34a_200000210373_200025704644 [2,0,0,0,0,0|2,0,0]=4 851 B4R0.2 C=CCSC 62a_100000210623_200000210301 [2,0,0,0,0,0|2,0,0]=4 852 B4R0.2 C=CCSC 62a_200000210301_100000210623 [2,0,0,0,0,0|2,0,0]=4 853 B4R0.2 C=CCS[13CH3] 62a_100000210623_200025704644 [2,0,0,0,0,0|2,0,0]=4 854 B4R0.2 C=CCS[13CH3] 62a_200025704644_100000210623 [2,0,0,0,0,0|2,0,0]=4 855 B4R0.2 CCCNC 2230a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 856 B4R0.2 CCCNC 34a_100102657272_100000210303 [2,0,0,0,0,0|2,0,0]=4 857 B4R0.2 CCCNC 7a_106832991635_100000210303 [2,0,0,0,0,0|2,0,0]=4 858 B4R0.2 CCCOC 34a_100000210258_200000210301 [2,0,0,0,0,0|2,0,0]=4 859 B4R0.2 CCCOC 34a_100138415774_100000210303 [2,0,0,0,0,0|2,0,0]=4 860 B4R0.2 CCCO[13CH3] 34a_100000210258_200025704644 [2,0,0,0,0,0|2,0,0]=4 861 B4R0.2 CCCSC 62a_100000210303_200000210301 [2,0,0,0,0,0|2,0,0]=4 862 B4R0.2 CCCSC 62a_200000210301_100000210303 [2,0,0,0,0,0|2,0,0]=4 863 B4R0.2 CCCS[13CH3] 62a_100000210303_200025704644 [2,0,0,0,0,0|2,0,0]=4 864 B4R0.2 CCCS[13CH3] 62a_200025704644_100000210303 [2,0,0,0,0,0|2,0,0]=4 865 B4R0.2 CNCC=O 2230a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 866 B4R0.2 CNCC=O 34a_100102657272_200009817547 [2,0,0,0,0,0|1,0,0]=3 867 B4R0.2 CNCC=O 7a_106832991635_200015260668 [2,0,0,0,0,0|1,0,0]=3 868 B4R0.2 CNCCO 2230a_100016997473_200000210301 [2,0,0,0,0,0|1,0,1]=4 869 B4R0.2 CNCCO 2230a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 870 B4R0.2 CNCCO 34a_100016990907_200000210301 [2,0,0,0,0,0|1,0,1]=4 871 B4R0.2 CNCCO 34a_100102657272_100000211926 [2,0,0,0,0,0|1,0,1]=4 872 B4R0.2 CNCCO 7a_106832991635_100000211926 [2,0,0,0,0,0|1,0,1]=4 873 B4R0.2 COCC=O 34a_100138415774_200009817547 [2,0,0,0,0,0|1,0,0]=3 874 B4R0.2 COCCO 34a_100138415774_100000211926 [2,0,0,0,0,0|1,0,1]=4 875 B4R0.2 CSCC=O 62a_200000210301_200015260668 [2,0,0,0,0,0|1,0,0]=3 876 B4R0.2 CSCC=O 62a_200015260668_200000210301 [2,0,0,0,0,0|1,0,0]=3 877 B4R0.2 CSCCO 62a_100000211926_200000210301 [2,0,0,0,0,0|1,0,1]=4 878 B4R0.2 CSCCO 62a_200000210301_100000211926 [2,0,0,0,0,0|1,0,1]=4 879 B4R0.2 [13CH3]NCCO 2230a_100016997473_200025704644 [2,0,0,0,0,0|1,0,1]=4 880 B4R0.2 [13CH3]NCCO 34a_100016990907_200025704644 [2,0,0,0,0,0|1,0,1]=4 881 B4R0.2 [13CH3]SCC=O 62a_200015260668_200025704644 [2,0,0,0,0,0|1,0,0]=3 882 B4R0.2 [13CH3]SCC=O 62a_200025704644_200015260668 [2,0,0,0,0,0|1,0,0]=3 883 B4R0.2 [13CH3]SCCO 62a_100000211926_200025704644 [2,0,0,0,0,0|1,0,1]=4 884 B4R0.2 [13CH3]SCCO 62a_200025704644_100000211926 [2,0,0,0,0,0|1,0,1]=4 885 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [1,1,0,0,0,0|1,0,0]=3 886 B6R0.1 C#CC(=O)CCF 1458a_100000211873_100011217306 [1,1,0,0,0,0|2,0,0]=4 887 B6R0.1 C#CC(=O)CCO 1458a_100000211873_100000211926 [1,1,0,0,0,0|2,0,0]=4 888 B6R0.1 C#CCC(=O)CO 1458a_100000210174_100000184674 [1,1,0,0,0,0|0,0,2]=4 889 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [1,1,0,0,0,0|1,0,0]=3 890 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [1,1,0,0,0,0|2,0,0]=4 891 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [1,1,0,0,0,0|2,0,0]=4 892 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [1,1,0,0,0,0|2,0,0]=4 893 B6R0.1 C=CCC(=O)CO 1458a_100000210174_100000210623 [1,1,0,0,0,0|0,0,2]=4 894 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [1,1,0,0,0,0|2,0,0]=4 895 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [1,1,0,0,0,0|2,0,0]=4 896 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [1,1,0,0,0,0|2,0,0]=4 897 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [1,1,0,0,0,0|2,0,0]=4 898 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [1,1,0,0,0,0|2,0,0]=4 899 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [1,1,0,0,0,0|2,0,0]=4 900 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [1,1,0,0,0,0|2,0,0]=4 901 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [1,1,0,0,0,0|2,0,0]=4 902 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [1,1,0,0,0,0|2,0,0]=4 903 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [1,1,0,0,0,0|2,0,0]=4 904 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [1,1,0,0,0,0|2,0,0]=4 905 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [1,1,0,0,0,0|2,0,0]=4 906 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [1,1,0,0,0,0|1,0,0]=3 907 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [1,1,0,0,0,0|1,0,0]=3 908 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [1,1,0,0,0,0|1,0,0]=3 909 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [1,1,0,0,0,0|0,0,0]=2 910 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [1,1,0,0,0,0|1,0,0]=3 911 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 912 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 913 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [1,1,0,0,0,0|1,0,0]=3 914 B6R0.1 CCCC(C)OC 34a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 915 B6R0.1 CCCC(C)OC 34a_100138415774_100000766640 [1,1,0,0,0,0|1,0,1]=4 916 B6R0.1 CCCC(C)OC 7a_100000764384_200000210301 [1,1,0,0,0,0|1,0,1]=4 917 B6R0.1 CCCC(C)O[13CH3] 34a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 918 B6R0.1 CCCC(C)O[13CH3] 7a_100000764384_200025704644 [1,1,0,0,0,0|1,0,1]=4 919 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 920 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 921 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [1,1,0,0,0,0|2,0,0]=4 922 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 923 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [1,1,0,0,0,0|1,0,0]=3 924 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [1,1,0,0,0,0|2,0,0]=4 925 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 926 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 927 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [1,1,0,0,0,0|2,0,0]=4 928 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [1,1,0,0,0,0|2,0,0]=4 929 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [1,1,0,0,0,0|2,0,0]=4 930 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [1,1,0,0,0,0|2,0,0]=4 931 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [1,1,0,0,0,0|2,0,0]=4 932 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [1,1,0,0,0,0|2,0,0]=4 933 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 934 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 935 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [1,1,0,0,0,0|2,0,0]=4 936 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [1,1,0,0,0,0|2,0,0]=4 937 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [1,1,0,0,0,0|2,0,0]=4 938 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [1,1,0,0,0,0|2,0,0]=4 940 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 941 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 942 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [1,1,0,0,0,0|2,0,0]=4 943 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [1,1,0,0,0,0|2,0,0]=4 944 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [1,1,0,0,0,0|2,0,0]=4 945 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [1,1,0,0,0,0|2,0,0]=4 946 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [1,1,0,0,0,0|2,0,0]=4 947 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [1,1,0,0,0,0|2,0,0]=4 948 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 949 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [1,1,0,0,0,0|2,0,0]=4 950 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [1,1,0,0,0,0|2,0,0]=4 951 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 952 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [1,1,0,0,0,0|1,0,0]=3 953 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [1,1,0,0,0,0|1,0,0]=3 954 B6R0.1 CNNC(=O)CO 22a_100016993582_100000210174 [1,1,0,0,0,0|2,0,0]=4 955 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [1,1,0,0,0,0|1,0,0]=3 956 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [1,1,0,0,0,0|1,0,0]=3 957 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [1,1,0,0,0,0|1,0,0]=3 958 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [1,1,0,0,0,0|1,0,0]=3 959 B6R0.1 COCC(=O)CF 1458a_100000210968_100015361967 [1,1,0,0,0,0|2,0,0]=4 960 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [1,1,0,0,0,0|1,0,0]=3 961 B6R0.1 CSCC(=O)CF 1458a_100000184570_100015361967 [1,1,0,0,0,0|2,0,0]=4 962 B6R0.1 N#CCC(=O)CO 1458a_100000210174_100011214920 [1,1,0,0,0,0|1,0,1]=4 963 B6R0.1 O=C(CF)CCO 1458a_100011216618_100015361967 [1,1,0,0,0,0|2,0,0]=4 964 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [1,1,0,0,0,0|1,0,0]=3 965 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [1,1,0,0,0,0|1,0,0]=3 966 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,1,0,0,0,0|0,0,2]=4 970 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,1,0,0,0,0|1,0,0]=3 971 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,1,0,0,0,0|1,0,0]=3 972 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,1,0,0,0,0|1,0,0]=3 973 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,1,0,0,0,0|2,0,0]=4 974 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,1,0,0,0,0|2,0,0]=4 975 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,1,0,0,0,0|1,0,0]=3 976 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,1,0,0,0,0|2,0,0]=4 977 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 978 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 979 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,1,0,0,0,0|2,0,0]=4 980 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,1,0,0,0,0|2,0,0]=4 981 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,1,0,0,0,0|1,0,0]=3 982 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,1,0,0,0,0|2,0,0]=4 983 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,1,0,0,0,0|2,0,0]=4 984 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,1,0,0,0,0|2,0,0]=4 985 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,1,0,0,0,0|1,0,0]=3 986 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,1,0,0,0,0|2,0,0]=4 987 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,1,0,0,0,0|1,0,1]=4 988 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,1,0,0,0,0|2,0,0]=4 989 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,1,0,0,0,0|1,0,0]=3 990 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,1,0,0,0,0|1,0,0]=3 991 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,1,0,0,0,0|2,0,0]=4 992 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,1,0,0,0,0|1,0,1]=4 993 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [1,1,0,0,0,0|1,0,1]=4 994 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [1,1,0,0,0,0|1,0,1]=4 995 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [1,1,0,0,0,0|1,0,1]=4 996 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [1,1,0,0,0,0|1,0,1]=4 997 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [1,1,0,0,0,0|2,0,0]=4 998 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [1,1,0,0,0,0|2,0,0]=4 999 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1000 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [1,1,0,0,0,0|2,0,0]=4 1001 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [1,1,0,0,0,0|2,0,0]=4 1002 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [1,1,0,0,0,0|2,0,0]=4 1003 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [1,1,0,0,0,0|2,0,0]=4 1004 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [1,1,0,0,0,0|2,0,0]=4 1005 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [1,1,0,0,0,0|2,0,0]=4 1006 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [1,1,0,0,0,0|2,0,0]=4 1007 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [1,1,0,0,0,0|2,0,0]=4 1008 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [1,1,0,0,0,0|2,0,0]=4 1009 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [1,1,0,0,0,0|2,0,0]=4 1010 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [1,1,0,0,0,0|2,0,0]=4 1011 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [1,1,0,0,0,0|2,0,0]=4 1012 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [1,1,0,0,0,0|2,0,0]=4 1013 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [1,1,0,0,0,0|2,0,0]=4 1014 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [1,1,0,0,0,0|2,0,0]=4 1015 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [1,1,0,0,0,0|2,0,0]=4 1016 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [1,1,0,0,0,0|2,0,0]=4 1017 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [1,1,0,0,0,0|2,0,0]=4 1018 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [1,1,0,0,0,0|2,0,0]=4 1019 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [1,1,0,0,0,0|1,0,1]=4 1020 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [1,1,0,0,0,0|1,0,1]=4 1021 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [1,1,0,0,0,0|1,0,1]=4 1022 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [1,1,0,0,0,0|1,0,1]=4 1023 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [1,1,0,0,0,0|1,0,1]=4 1024 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [1,1,0,0,0,0|1,0,1]=4 1025 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [1,1,0,0,0,0|1,0,0]=3 1026 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [1,1,0,0,0,0|1,0,0]=3 1027 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1028 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [1,1,0,0,0,0|1,0,0]=3 1029 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [1,1,0,0,0,0|1,0,0]=3 1030 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [1,1,0,0,0,0|1,0,0]=3 1031 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [1,1,0,0,0,0|2,0,0]=4 1032 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1033 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1034 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [1,1,0,0,0,0|2,0,0]=4 1035 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [1,1,0,0,0,0|2,0,0]=4 1036 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [1,1,0,0,0,0|2,0,0]=4 1037 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [1,1,0,0,0,0|2,0,0]=4 1038 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [1,1,0,0,0,0|2,0,0]=4 1039 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [1,1,0,0,0,0|2,0,0]=4 1040 B6R0.4 CC(O)CCN[13CH3] 2230a_200000755665_200025704644 [1,1,0,0,0,0|1,0,1]=4 1041 B6R0.4 CC(O)CCS[13CH3] 62a_100012276601_200025704644 [1,1,0,0,0,0|1,0,1]=4 1042 B6R0.4 CC(O)CCS[13CH3] 62a_200025704644_100012276601 [1,1,0,0,0,0|1,0,1]=4 1043 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [1,1,0,0,0,0|1,0,1]=4 1044 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [1,1,0,0,0,0|1,0,1]=4 1045 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [1,1,0,0,0,0|1,0,1]=4 1046 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [1,1,0,0,0,0|1,0,1]=4 1047 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [1,1,0,0,0,0|1,0,1]=4 1048 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [1,1,0,0,0,0|1,0,1]=4 1049 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [1,1,0,0,0,0|1,0,1]=4 1050 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [1,1,0,0,0,0|1,0,0]=3 1051 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [1,1,0,0,0,0|1,0,0]=3 1052 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [1,1,0,0,0,0|1,0,0]=3 1053 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1054 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1055 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [1,1,0,0,0,0|1,0,0]=3 1056 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [1,1,0,0,0,0|1,0,0]=3 1057 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [1,1,0,0,0,0|1,0,0]=3 1058 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [1,1,0,0,0,0|1,0,0]=3 1059 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [1,1,0,0,0,0|0,0,0]=2 1060 B6R0.4 CCNCC(C)O 2230a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 1061 B6R0.4 CCNCC(C)O 2230a_100015525214_100011218427 [1,1,0,0,0,0|1,0,1]=4 1062 B6R0.4 CCNCC(C)O 34a_100000210904_100000210202 [1,1,0,0,0,0|1,0,1]=4 1063 B6R0.4 CCNC[C@@H](C)O 2230a_100015525214_100009817552 [1,1,0,0,0,0|1,0,1]=4 1064 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [1,1,0,0,0,0|2,0,0]=4 1065 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [1,1,0,0,0,0|1,0,0]=3 1066 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [1,1,0,0,0,0|1,0,0]=3 1067 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [1,1,0,0,0,0|1,0,0]=3 1068 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [1,1,0,0,0,0|1,0,0]=3 1069 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [1,1,0,0,0,0|0,0,1]=3 1070 B6R0.4 CCOCC(C)O 34a_100121572206_100011218427 [1,1,0,0,0,0|1,0,1]=4 1071 B6R0.4 CCOC[C@@H](C)O 34a_100121572206_100009817552 [1,1,0,0,0,0|1,0,1]=4 1072 B6R0.4 CCOC[N+](=O)[O-] 34a_100121572206_100000761209 [1,1,0,0,0,0|1,0,1]=4 1073 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [1,1,0,0,0,0|1,0,0]=3 1074 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [1,1,0,0,0,0|1,0,0]=3 1075 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [1,1,0,0,0,0|1,0,0]=3 1076 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [1,1,0,0,0,0|1,0,0]=3 1077 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [1,1,0,0,0,0|0,0,1]=3 1078 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [1,1,0,0,0,0|0,0,1]=3 1079 B6R0.4 CCSCC(C)O 62a_100000210202_100011218427 [1,1,0,0,0,0|1,0,1]=4 1080 B6R0.4 CCSCC(C)O 62a_100011218427_100000210202 [1,1,0,0,0,0|1,0,1]=4 1081 B6R0.4 CCSC[C@@H](C)O 62a_100000210202_100009817552 [1,1,0,0,0,0|1,0,1]=4 1082 B6R0.4 CCSC[C@@H](C)O 62a_100009817552_100000210202 [1,1,0,0,0,0|1,0,1]=4 1083 B6R0.4 CCSC[N+](=O)[O-] 62a_100000210202_100000761209 [1,1,0,0,0,0|1,0,1]=4 1084 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [1,1,0,0,0,0|1,0,0]=3 1085 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1086 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [1,1,0,0,0,0|1,0,0]=3 1087 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [1,1,0,0,0,0|1,0,0]=3 1088 B6R0.4 CNCCC(C)O 2230a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 1089 B6R0.4 CNCCC(C)O 2230a_200000755665_200000210301 [1,1,0,0,0,0|1,0,1]=4 1090 B6R0.4 CNCCC(C)O 34a_100102657272_100012276601 [1,1,0,0,0,0|1,0,1]=4 1091 B6R0.4 CNCCC(C)O 7a_106832991635_100012276601 [1,1,0,0,0,0|1,0,1]=4 1092 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [1,1,0,0,0,0|2,0,0]=4 1093 B6R0.4 CNOCC(=O)O 269956a_100000106656_200000210301 [1,1,0,0,0,0|1,0,0]=3 1094 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [1,1,0,0,0,0|1,0,0]=3 1095 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [1,1,0,0,0,0|1,0,0]=3 1096 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1097 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [1,1,0,0,0,0|1,0,0]=3 1098 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1099 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [1,1,0,0,0,0|1,0,0]=3 1100 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [1,1,0,0,0,0|1,0,0]=3 1101 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [1,1,0,0,0,0|1,0,0]=3 1102 B6R0.4 COCCC(C)O 34a_100138415774_100012276601 [1,1,0,0,0,0|1,0,1]=4 1103 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [1,1,0,0,0,0|2,0,0]=4 1104 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [1,1,0,0,0,0|1,0,0]=3 1105 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [1,1,0,0,0,0|1,0,0]=3 1106 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [1,1,0,0,0,0|1,0,0]=3 1107 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [1,1,0,0,0,0|1,0,0]=3 1108 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [1,1,0,0,0,0|1,0,0]=3 1109 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [1,1,0,0,0,0|1,0,0]=3 1110 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [1,1,0,0,0,0|1,0,0]=3 1111 B6R0.4 CSCCC(C)O 62a_100012276601_200000210301 [1,1,0,0,0,0|1,0,1]=4 1112 B6R0.4 CSCCC(C)O 62a_200000210301_100012276601 [1,1,0,0,0,0|1,0,1]=4 1113 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [1,1,0,0,0,0|2,0,0]=4 1114 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [1,1,0,0,0,0|2,0,0]=4 1115 B6R0.4 NC(=O)CSCF 62a_100000747473_100015361967 [1,1,0,0,0,0|2,0,0]=4 1116 B6R0.4 NC(=O)CSCF 62a_100015361967_100000747473 [1,1,0,0,0,0|2,0,0]=4 1117 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [1,1,0,0,0,0|1,0,0]=3 1118 B6R0.4 O=C([O-])CSCF 62a_100015361967_100020667443 [1,1,0,0,0,0|1,0,1]=4 1119 B6R0.4 O=C([O-])CSCF 62a_100020667443_100015361967 [1,1,0,0,0,0|1,0,1]=4 1120 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [1,1,0,0,0,0|1,0,1]=4 1121 B6R0.4 [13CH3]NOCC(=O)O 269956a_100000106656_200025704644 [1,1,0,0,0,0|1,0,0]=3 1122 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1123 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [1,1,0,0,0,0|1,0,0]=3 1124 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [1,1,0,0,0,0|1,0,0]=3 1125 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [1,1,0,0,0,0|1,0,0]=3 1126 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1127 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,1,0,0,0,0|2,0,0]=4 1128 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1129 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,1,0,0,0,0|2,0,0]=4 1130 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,1,0,0,0,0|1,0,1]=4 1131 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,1,0,0,0,0|2,0,0]=4 1132 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,1,0,0,0,0|2,0,0]=4 1133 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,1,0,0,0,0|2,0,0]=4 1134 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,1,0,0,0,0|2,0,0]=4 1135 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,1,0,0,0,0|2,0,0]=4 1136 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,1,0,0,0,0|2,0,0]=4 1137 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,1,0,0,0,0|2,0,0]=4 1138 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,1,0,0,0,0|2,0,0]=4 1139 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,1,0,0,0,0|2,0,0]=4 1140 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,1,0,0,0,0|1,0,1]=4 1141 B6R0.9 C#CC(CC)OC 34a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1142 B6R0.9 C#CC(CC)OC 7a_100000758843_200000210301 [1,1,0,0,0,0|1,0,1]=4 1143 B6R0.9 C#CC(CC)O[13CH3] 34a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1144 B6R0.9 C#CC(CC)O[13CH3] 7a_100000758843_200025704644 [1,1,0,0,0,0|1,0,1]=4 1145 B6R0.9 C=CC(CC)OC 34a_100000766422_200000210301 [1,1,0,0,0,0|1,0,0]=3 1146 B6R0.9 C=CC(CC)OC 7a_100000766422_200000210301 [1,1,0,0,0,0|1,0,0]=3 1147 B6R0.9 C=CC(CC)O[13CH3] 34a_100000766422_200025704644 [1,1,0,0,0,0|1,0,0]=3 1148 B6R0.9 C=CC(CC)O[13CH3] 7a_100000766422_200025704644 [1,1,0,0,0,0|1,0,0]=3 1149 B6R0.9 C=C[C@@H](CO)NC 2230a_100016989147_200000210301 [1,1,0,0,0,0|2,0,0]=4 1150 B6R0.9 C=C[C@@H](CO)NC 34a_100016989147_200000210301 [1,1,0,0,0,0|2,0,0]=4 1151 B6R0.9 C=C[C@@H](CO)N[13CH3] 2230a_100016989147_200025704644 [1,1,0,0,0,0|2,0,0]=4 1152 B6R0.9 C=C[C@@H](CO)N[13CH3] 34a_100016989147_200025704644 [1,1,0,0,0,0|2,0,0]=4 1153 B6R0.9 CCC(CC)NC 2230a_100000199018_200000210301 [1,1,0,0,0,0|1,0,1]=4 1154 B6R0.9 CCC(CC)NC 270004a_106832991635_100000210860 [1,1,0,0,0,0|1,0,1]=4 1155 B6R0.9 CCC(CC)NC 7a_106832991635_100000210505 [1,1,0,0,0,0|1,0,1]=4 1156 B6R0.9 CCC(CC)N[13CH3] 2230a_100000199018_200025704644 [1,1,0,0,0,0|1,0,1]=4 1157 B6R0.9 CCC(CC)OC 7a_100000688536_200000210301 [1,1,0,0,0,0|1,0,1]=4 1158 B6R0.9 CCC(CC)O[13CH3] 7a_100000688536_200025704644 [1,1,0,0,0,0|1,0,1]=4 1159 B6R0.9 CCC(CC)SC 62a_100000210505_200000210301 [1,1,0,0,0,0|1,0,1]=4 1160 B6R0.9 CCC(CC)SC 62a_200000210301_100000210505 [1,1,0,0,0,0|1,0,1]=4 1161 B6R0.9 CCC(CC)S[13CH3] 62a_100000210505_200025704644 [1,1,0,0,0,0|1,0,1]=4 1162 B6R0.9 CCC(CC)S[13CH3] 62a_200025704644_100000210505 [1,1,0,0,0,0|1,0,1]=4 1163 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,1,0,0,0,0|0,0,1]=3 1164 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,1,0,0,0,0|0,0,1]=3 1165 B6R0.9 CNC(C=O)C=O 2230a_106832991635_100000736813 [1,1,0,0,0,0|1,0,1]=4 1166 B6R0.9 CNC(C=O)C=O 34a_100102657272_100000736813 [1,1,0,0,0,0|1,0,1]=4 1167 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,1,0,0,0,0|1,0,1]=4 1168 B6R0.9 COC(C=O)C=O 34a_100138415774_100000736813 [1,1,0,0,0,0|1,0,1]=4 1169 B6R0.9 CSC(C=O)C=O 62a_100000736813_200000210301 [1,1,0,0,0,0|1,0,1]=4 1170 B6R0.9 CSC(C=O)C=O 62a_200000210301_100000736813 [1,1,0,0,0,0|1,0,1]=4 1171 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,1,0,0,0,0|1,0,1]=4 1172 B6R0.9 [13CH3]SC(C=O)C=O 62a_100000736813_200025704644 [1,1,0,0,0,0|1,0,1]=4 1173 B6R0.9 [13CH3]SC(C=O)C=O 62a_200025704644_100000736813 [1,1,0,0,0,0|1,0,1]=4 1174 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,1,0,0,0,0|1,0,0]=3 1175 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,1,0,0,0,0|1,0,0]=3 1176 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,1,0,0,0,0|1,0,0]=3 1177 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,1,0,0,0,0|1,0,0]=3 1178 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,1,0,0,0,0|1,0,0]=3 1179 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,1,0,0,0,0|1,0,0]=3 1180 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,1|2,0,0]=4 1181 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,1|2,0,0]=4 1182 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,1|2,0,0]=4 1183 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,1|2,0,0]=4 1184 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,1|0,0,2]=4 1185 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,1|1,0,1]=4 1186 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,1|1,0,1]=4 1187 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1188 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1189 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,1|1,0,0]=3 1190 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,1|1,0,0]=3 1191 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,0,0,0,1|2,0,0]=4 1192 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,1|2,0,0]=4 1193 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1194 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,1|2,0,0]=4 1195 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,1|2,0,0]=4 1196 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,1|2,0,0]=4 1197 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,1|2,0,0]=4 1198 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,1|2,0,0]=4 1199 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,1|1,0,0]=3 1200 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,1|2,0,0]=4 1201 B8R0.2 CCN(C)C(F)C(=O)N 2230a_100000225621_100009813875 [0,1,0,0,0,1|2,0,0]=4 1202 B8R0.2 CCN(C)C(F)C(=O)N 269982a_100000225621_100009813875 [0,1,0,0,0,1|2,0,0]=4 1203 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,1|2,0,0]=4 1204 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,1|2,0,0]=4 1205 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,1|2,0,0]=4 1206 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,1|2,0,0]=4 1207 B8R0.5 C#CCN(C)CC(=O)O 269956a_100000746989_100000184674 [0,1,0,0,0,1|1,0,1]=4 1208 B8R0.5 C#CCN(C)CC(=O)O 269956a_100011236498_200000210301 [0,1,0,0,0,1|1,0,1]=4 1209 B8R0.5 C#CCN([13CH3])CC(=O)O 269956a_100011236498_200025704644 [0,1,0,0,0,1|1,0,1]=4 1210 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000744315_200000210301 [0,1,0,0,0,1|1,0,1]=4 1211 B8R0.5 C=CCN(C)CC(=O)O 269956a_100000746989_100000210623 [0,1,0,0,0,1|1,0,1]=4 1212 B8R0.5 C=CCN([13CH3])CC(=O)O 269956a_100000744315_200025704644 [0,1,0,0,0,1|1,0,1]=4 1213 B8R0.5 CC(=O)N[C@@H](C)CC#N 11a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1214 B8R0.5 CC(=O)N[C@@H](C)CC#N 1626a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1215 B8R0.5 CC(=O)N[C@@H](C)CC#N 240690a_100016994482_100015343762 [0,1,0,0,0,1|1,0,1]=4 1216 B8R0.5 CC(=O)N[C@@H](C)CC#N 527a_100016994482_100103153847 [0,1,0,0,0,1|1,0,1]=4 1217 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [0,1,0,0,0,1|1,0,0]=3 1218 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [0,1,0,0,0,1|1,0,0]=3 1219 B8R0.5 CC(=O)OC(C)SCF 62a_100009818208_100015361967 [0,1,0,0,0,1|2,0,0]=4 1220 B8R0.5 CC(=O)OC(C)SCF 62a_100015361967_100009818208 [0,1,0,0,0,1|2,0,0]=4 1221 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [0,1,0,0,0,1|1,0,1]=4 1222 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [0,1,0,0,0,1|1,0,1]=4 1223 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [0,1,0,0,0,1|1,0,0]=3 1224 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [0,1,0,0,0,1|1,0,0]=3 1225 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [0,1,0,0,0,1|1,0,0]=3 1226 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1227 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1228 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [0,1,0,0,0,1|1,0,0]=3 1229 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [0,1,0,0,0,1|1,0,0]=3 1230 B8R0.5 CCCN(C)CC(=O)N 2230a_100000739694_100000210303 [0,1,0,0,0,1|2,0,0]=4 1231 B8R0.5 CCCN(C)CC(=O)N 2230a_100000747261_100000747473 [0,1,0,0,0,1|2,0,0]=4 1232 B8R0.5 CCCN(C)CC(=O)N 269982a_100000747261_100000187820 [0,1,0,0,0,1|2,0,0]=4 1233 B8R0.5 CCCN(C)CC(=O)O 269956a_100000746989_100000210207 [0,1,0,0,0,1|1,0,0]=3 1234 B8R0.5 CCCN(C)CC(=O)[O-] 269982a_100000747261_100020667443 [0,1,0,0,0,1|1,0,1]=4 1235 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [0,1,0,0,0,1|2,0,0]=4 1236 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [0,1,0,0,0,1|1,0,0]=3 1237 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [0,1,0,0,0,1|1,0,0]=3 1238 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [0,1,0,0,0,1|1,0,0]=3 1239 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [0,1,0,0,0,1|1,0,0]=3 1240 B8R0.5 CN(CC#N)CC(=O)O 269956a_100000746989_100011215382 [0,1,0,0,0,1|1,0,1]=4 1241 B8R0.5 CN(CC=O)CC(=O)O 269956a_100000746989_200015260668 [0,1,0,0,0,1|1,0,1]=4 1242 B8R0.5 CN(CCF)CC(=O)N 2230a_100000739694_100011217306 [0,1,0,0,0,1|2,0,0]=4 1243 B8R0.5 CN(CCF)CC(=O)O 269956a_100000746989_100011217306 [0,1,0,0,0,1|1,0,0]=3 1244 B8R0.5 CN(CCO)CC(=O)N 2230a_100000210263_100000747473 [0,1,0,0,0,1|2,0,0]=4 1245 B8R0.5 CN(CCO)CC(=O)N 2230a_100000739694_100000211926 [0,1,0,0,0,1|2,0,0]=4 1246 B8R0.5 CN(CCO)CC(=O)N 269982a_100000210263_100000187820 [0,1,0,0,0,1|2,0,0]=4 1247 B8R0.5 CN(CCO)CC(=O)O 269956a_100000746989_100000211926 [0,1,0,0,0,1|1,0,0]=3 1248 B8R0.5 CN(CCO)CC(=O)O 269956a_100000747938_200000210301 [0,1,0,0,0,1|1,0,0]=3 1249 B8R0.5 CN(CCO)CC(=O)[O-] 269982a_100000210263_100020667443 [0,1,0,0,0,1|1,0,1]=4 1250 B8R0.5 CNCC(O)CC(=O)O 269956a_100011218706_200000210301 [0,1,0,0,0,1|1,0,0]=3 1251 B8R0.5 COCN(C)CC(=O)N 2230a_100000739694_100000766300 [0,1,0,0,0,1|2,0,0]=4 1252 B8R0.5 COCN(C)CC(=O)O 269956a_100000746989_100000766300 [0,1,0,0,0,1|1,0,0]=3 1253 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1254 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1255 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [0,1,0,0,0,1|1,0,0]=3 1256 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [0,1,0,0,0,1|1,0,0]=3 1257 B8R0.5 CSCN(C)CC(=O)N 2230a_100000739694_100011218213 [0,1,0,0,0,1|2,0,0]=4 1258 B8R0.5 CSCN(C)CC(=O)O 269956a_100000746989_100011218213 [0,1,0,0,0,1|1,0,0]=3 1259 B8R0.5 [13CH3]N(CCO)CC(=O)O 269956a_100000747938_200025704644 [0,1,0,0,0,1|1,0,0]=3 1260 B8R0.5 [13CH3]NCC(O)CC(=O)O 269956a_100011218706_200025704644 [0,1,0,0,0,1|1,0,0]=3 1261 B8R0.16 CC(=O)NC(CO)CO 240690a_100000759517_100015343762 [0,1,0,0,0,1|2,0,0]=4 1262 B8R0.16 CC(=O)NC(CO)CO 527a_100000759517_100103153847 [0,1,0,0,0,1|2,0,0]=4 1263 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [0,1,0,0,0,1|1,0,0]=3 1264 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1265 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1266 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [0,1,0,0,0,1|1,0,0]=3 1267 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [0,1,0,0,0,1|1,0,0]=3 1268 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [0,1,0,0,0,1|2,0,0]=4 1269 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [0,1,0,0,0,1|2,0,0]=4 1270 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [0,1,0,0,0,1|2,0,0]=4 1271 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [0,1,0,0,0,1|2,0,0]=4 1272 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [0,1,0,0,0,1|1,0,0]=3 1273 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [0,1,0,0,0,1|2,0,0]=4 1274 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [0,1,0,0,0,1|1,0,1]=4 1275 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [0,1,0,0,0,1|1,0,1]=4 1276 B8R0.16 CCN(CF)CC(=O)O 269956a_100000746405_100015361967 [0,1,0,0,0,1|1,0,0]=3 1277 B8R0.16 CCN(CO)CC(=O)[O-] 269956a_100016989150_100000210202 [0,1,0,0,0,1|1,0,1]=4 1278 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [0,1,0,0,0,1|1,0,0]=3 1279 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [0,1,0,0,0,1|1,0,0]=3 1280 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [0,1,0,0,0,1|0,0,0]=2 1281 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [0,1,0,0,0,1|0,0,0]=2 1282 B8R0.16 CN[C@H](CO)CC(=O)O 269956a_100009816507_200000210301 [0,1,0,0,0,1|1,0,0]=3 1283 B8R0.16 COC(CC(=O)C)OC 1458a_100000070787_100000751394 [0,1,0,0,0,1|2,0,0]=4 1284 B8R0.16 COC(CC(=O)C)OC 1458a_100000082724_200000210301 [0,1,0,0,0,1|2,0,0]=4 1285 B8R0.16 COC(CC(=O)[13CH3])OC 1458a_100000082724_200025704644 [0,1,0,0,0,1|2,0,0]=4 1286 B8R0.16 [13CH3]N[C@H](CO)CC(=O)O 269956a_100009816507_200025704644 [0,1,0,0,0,1|1,0,0]=3 1287 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [0,1,0,0,0,1|1,0,0]=3 1288 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [0,1,0,0,0,1|2,0,0]=4 1289 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [0,1,0,0,0,1|1,0,0]=3 1290 B8R0.19 C#CC(=O)C[C@@H](C)CO 1458a_100000211873_100000059175 [0,1,0,0,0,1|2,0,0]=4 1291 B8R0.19 C#CC(C)NC(=O)CO 240690a_100000707721_100000210174 [0,1,0,0,0,1|0,0,2]=4 1292 B8R0.19 C#CC(C)NC(=O)CO 527a_100000707721_100000210174 [0,1,0,0,0,1|0,0,2]=4 1293 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [0,1,0,0,0,1|1,0,0]=3 1294 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [0,1,0,0,0,1|2,0,0]=4 1295 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [0,1,0,0,0,1|1,0,0]=3 1296 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [0,1,0,0,0,1|2,0,0]=4 1297 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [0,1,0,0,0,1|1,0,0]=3 1298 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [0,1,0,0,0,1|1,0,0]=3 1299 B8R0.19 C=CC(=O)N[C@H](C)CF 1626a_100102880703_100000185746 [0,1,0,0,0,1|2,0,0]=4 1300 B8R0.19 C=CC(=O)N[C@H](C)CF 240690a_100102880703_200121576911 [0,1,0,0,0,1|2,0,0]=4 1301 B8R0.19 C=CC(=O)N[C@H](C)CO 240690a_100000737577_200121576911 [0,1,0,0,0,1|2,0,0]=4 1302 B8R0.19 CC(C#N)NC(=O)CO 527a_100000737613_100000210174 [0,1,0,0,0,1|1,0,1]=4 1303 B8R0.19 CCC(=CC(=O)CF)C 1458a_100020758463_100015361967 [0,1,0,0,0,1|1,0,1]=4 1304 B8R0.19 CCC(=CC(=O)NC)C 11a_106832991635_100020758463 [0,1,0,0,0,1|1,0,1]=4 1305 B8R0.19 CCC(=CC(=O)NC)C 1626a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1306 B8R0.19 CCC(=CC(=O)NC)C 240690a_100102657272_100020758463 [0,1,0,0,0,1|1,0,1]=4 1307 B8R0.19 CCC(=O)C=C(C)CC 1458a_100020758463_100000210202 [0,1,0,0,0,1|1,0,1]=4 1308 B8R0.19 CCC(=O)CC(=O)CO 1458a_100000210174_100000747405 [0,1,0,0,0,1|1,0,1]=4 1309 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [0,1,0,0,0,1|1,0,1]=4 1310 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [0,1,0,0,0,1|1,0,1]=4 1311 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [0,1,0,0,0,1|1,0,0]=3 1312 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [0,1,0,0,0,1|1,0,0]=3 1313 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [0,1,0,0,0,1|2,0,0]=4 1314 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [0,1,0,0,0,1|2,0,0]=4 1315 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [0,1,0,0,0,1|2,0,0]=4 1316 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [0,1,0,0,0,1|2,0,0]=4 1317 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [0,1,0,0,0,1|1,0,0]=3 1318 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [0,1,0,0,0,1|2,0,0]=4 1319 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1320 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1321 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1322 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [0,1,0,0,0,1|1,0,0]=3 1323 B8R0.19 CCC(=O)N[C@H](C)CF 11a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1324 B8R0.19 CCC(=O)N[C@H](C)CF 1626a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1325 B8R0.19 CCC(=O)N[C@H](C)CF 240690a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1326 B8R0.19 CCC(=O)N[C@H](C)CF 527a_100102880703_100000210414 [0,1,0,0,0,1|2,0,0]=4 1327 B8R0.19 CCC(=O)N[C@H](C)CO 240690a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1328 B8R0.19 CCC(=O)N[C@H](C)CO 527a_100000737577_100000210414 [0,1,0,0,0,1|2,0,0]=4 1329 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [0,1,0,0,0,1|1,0,0]=3 1330 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [0,1,0,0,0,1|0,0,0]=2 1331 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [0,1,0,0,0,1|1,0,0]=3 1332 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1333 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1334 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [0,1,0,0,0,1|1,0,0]=3 1335 B8R0.19 CCC(C)NC(=O)CO 240690a_100000209981_100000210174 [0,1,0,0,0,1|0,0,0]=2 1336 B8R0.19 CCC(C)NC(=O)CO 527a_100000209981_100000210174 [0,1,0,0,0,1|0,0,0]=2 1337 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [0,1,0,0,0,1|1,0,0]=3 1338 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1339 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1340 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [0,1,0,0,0,1|1,0,0]=3 1341 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [0,1,0,0,0,1|1,0,0]=3 1342 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [0,1,0,0,0,1|1,0,0]=3 1343 B8R0.19 CCC(C)NC(C)CO 2230a_100000209981_100012180447 [0,1,0,0,0,1|1,0,1]=4 1344 B8R0.19 CCC(C)N[C@H](C)CO 2230a_100000737577_100000758301 [0,1,0,0,0,1|1,0,1]=4 1345 B8R0.19 CCC(C)OC(C)CO 7a_100000210228_100012180447 [0,1,0,0,0,1|1,0,1]=4 1346 B8R0.19 CCC(C)SC(C)CO 62a_100012180447_100000758301 [0,1,0,0,0,1|1,0,1]=4 1347 B8R0.19 CCC(C)SC(C)OC 62a_100000758301_100009879195 [0,1,0,0,0,1|1,0,1]=4 1348 B8R0.19 CCC(C)SC(C)OC 62a_100009879195_100000758301 [0,1,0,0,0,1|1,0,1]=4 1349 B8R0.19 CCC(C)S[C@H](C)CO 62a_100000758301_100016084084 [0,1,0,0,0,1|1,0,1]=4 1350 B8R0.19 CCC(C)S[C@H](C)CO 62a_100016084084_100000758301 [0,1,0,0,0,1|1,0,1]=4 1351 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [0,1,0,0,0,1|2,0,0]=4 1352 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [0,1,0,0,0,1|1,0,0]=3 1353 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1354 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [0,1,0,0,0,1|2,0,0]=4 1355 B8R0.19 CCN(C)CC(=O)CF 1458a_100116209913_100015361967 [0,1,0,0,0,1|2,0,0]=4 1356 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [0,1,0,0,0,1|2,0,0]=4 1357 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1358 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1359 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [0,1,0,0,0,1|2,0,0]=4 1360 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [0,1,0,0,0,1|2,0,0]=4 1361 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [0,1,0,0,0,1|1,0,0]=3 1362 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [0,1,0,0,0,1|1,0,0]=3 1363 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [0,1,0,0,0,1|1,0,0]=3 1364 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [0,1,0,0,0,1|0,0,0]=2 1365 B8R0.19 CNC(=O)N[C@H](C)CF 2708a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1366 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102657272_100102880703 [0,1,0,0,0,1|2,0,0]=4 1367 B8R0.19 CNC(=O)N[C@H](C)CF 273464a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1368 B8R0.19 CNC(=O)N[C@H](C)CF 512a_100102880703_100102657272 [0,1,0,0,0,1|2,0,0]=4 1369 B8R0.19 CNC(=O)N[C@H](C)CF 512a_106832991638_100102880703 [0,1,0,0,0,1|2,0,0]=4 1370 B8R0.19 CNC(=O)N[C@H](C)CO 2708a_100102657272_100000737577 [0,1,0,0,0,1|2,0,0]=4 1371 B8R0.19 CNC(=O)N[C@H](C)CO 273464a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1372 B8R0.19 CNC(=O)N[C@H](C)CO 512a_100000737577_100102657272 [0,1,0,0,0,1|2,0,0]=4 1373 B8R0.19 CNC(=O)N[C@H](C)CO 512a_106832991638_100000737577 [0,1,0,0,0,1|2,0,0]=4 1374 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [0,1,0,0,0,1|1,0,0]=3 1375 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [0,1,0,0,0,1|1,0,0]=3 1376 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [0,1,0,0,0,1|1,0,0]=3 1377 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [0,1,0,0,0,1|1,0,0]=3 1378 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [0,1,0,0,0,1|1,0,0]=3 1379 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [0,1,0,0,0,1|1,0,0]=3 1380 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [0,1,0,0,0,1|1,0,0]=3 1381 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [0,1,0,0,0,1|1,0,0]=3 1382 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [0,1,0,0,0,1|1,0,0]=3 1383 B8R0.19 C[C@H](CF)NC(=O)CO 240690a_100102880703_100000210174 [0,1,0,0,0,1|1,0,0]=3 1384 B8R0.19 C[C@H](CF)NC(=O)CO 527a_100102880703_100000210174 [0,1,0,0,0,1|1,0,0]=3 1385 B8R0.19 C[C@H](CO)NC(=O)CO 240690a_100000737577_100000210174 [0,1,0,0,0,1|1,0,0]=3 1386 B8R0.19 C[C@H](CO)NC(=O)CO 527a_100000737577_100000210174 [0,1,0,0,0,1|1,0,0]=3 1387 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,1,0,0,0,1|2,0,0]=4 1388 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,1,0,0,0,1|2,0,0]=4 1389 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1390 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1391 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,1,0,0,0,1|1,0,0]=3 1392 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,1,0,0,0,1|1,0,0]=3 1393 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,1,0,0,0,1|1,0,1]=4 1394 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,1,0,0,0,1|1,0,1]=4 1395 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,1,0,0,0,1|1,0,1]=4 1396 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,1,0,0,0,1|2,0,0]=4 1397 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,1,0,0,0,1|1,0,1]=4 1398 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,1,0,0,0,1|1,0,1]=4 1399 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,1,0,0,0,1|2,0,0]=4 1400 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,1,0,0,0,1|2,0,0]=4 1401 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,1,0,0,0,1|1,0,0]=3 1402 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,1,0,0,0,1|2,0,0]=4 1403 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,1,0,0,0,1|1,0,1]=4 1404 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,1,0,0,0,1|2,0,0]=4 1405 B8R0.24 CCC(C)NS(=O)(=O)C 40a_100000209981_100000738038 [0,1,0,0,0,1|1,0,1]=4 1406 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,1,0,0,0,1|2,0,0]=4 1407 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,1,0,0,0,1|2,0,0]=4 1408 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,1,0,0,0,1|2,0,0]=4 1409 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,1,0,0,0,1|2,0,0]=4 1410 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,1,0,0,0,1|1,0,0]=3 1411 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,1,0,0,0,1|1,0,0]=3 1412 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,1,0,0,0,1|1,0,0]=3 1413 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1414 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1415 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,1,0,0,0,1|1,0,0]=3 1416 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,1,0,0,0,1|1,0,0]=3 1417 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,1,0,0,0,1|1,0,0]=3 1418 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,1,0,0,0,1|1,0,0]=3 1419 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,1,0,0,0,1|2,0,0]=4 1420 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,1,0,0,0,1|1,0,0]=3 1421 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,1,0,0,0,1|2,0,0]=4 1422 B8R0.3 C#CC(=O)C(C)CC#N 1458a_100000211873_100009813641 [0,2,0,0,0,0|1,0,1]=4 1423 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [0,2,0,0,0,0|1,0,0]=3 1424 B8R0.3 C#CC(=O)C(C)CCO 1458a_100000211873_100009893172 [0,2,0,0,0,0|1,0,0]=3 1425 B8R0.3 C#CC(=O)C(C)COC 1458a_100000211873_100000765312 [0,2,0,0,0,0|1,0,0]=3 1426 B8R0.3 C#CC(C)C(=O)CCO 1458a_100011216618_200000035995 [0,2,0,0,0,0|0,0,2]=4 1427 B8R0.3 C#CC(C)C(=O)COC 1458a_100000210968_200000035995 [0,2,0,0,0,0|0,0,2]=4 1428 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011192722_100000184674 [0,2,0,0,0,0|1,0,0]=3 1429 B8R0.3 C#CCC(=O)C(C)CC 1458a_100011220946_100000758301 [0,2,0,0,0,0|1,0,0]=3 1430 B8R0.3 C#CCC(=O)C(C)OC 1458a_100000743197_100000184674 [0,2,0,0,0,0|2,0,0]=4 1431 B8R0.3 C#CCC(=O)C(C)SC 1458a_100000149566_100000184674 [0,2,0,0,0,0|2,0,0]=4 1432 B8R0.3 C#CCC(=O)C(O)CC 1458a_100011196387_100000184674 [0,2,0,0,0,0|2,0,0]=4 1433 B8R0.3 C#CCC(=O)N(C)CC 1626a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1434 B8R0.3 C#CCC(=O)N(C)CC 527a_100000225621_100011220946 [0,2,0,0,0,0|2,0,0]=4 1435 B8R0.3 C#CCN(C)C(=O)CO 527a_100000225692_100000210174 [0,2,0,0,0,0|1,0,1]=4 1436 B8R0.3 C/C=C(\C)/C(=O)CCO 1458a_100020587367_100000211926 [0,2,0,0,0,0|0,0,2]=4 1437 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [0,2,0,0,0,0|2,0,0]=4 1438 B8R0.3 C=C(CNC)C(=O)OC 34a_100102657272_100009813391 [0,2,0,0,0,0|0,0,2]=4 1439 B8R0.3 C=C(COC)C(=O)OC 34a_100138415774_100009813391 [0,2,0,0,0,0|0,0,2]=4 1440 B8R0.3 C=C(CSC)C(=O)OC 62a_100009813391_200000210301 [0,2,0,0,0,0|0,0,2]=4 1441 B8R0.3 C=C(CSC)C(=O)OC 62a_200000210301_100009813391 [0,2,0,0,0,0|0,0,2]=4 1442 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_100009813391_200025704644 [0,2,0,0,0,0|0,0,2]=4 1443 B8R0.3 C=C(CS[13CH3])C(=O)OC 62a_200025704644_100009813391 [0,2,0,0,0,0|0,0,2]=4 1444 B8R0.3 C=CC(=O)C(C)CC#N 1458a_100000185746_100009813641 [0,2,0,0,0,0|1,0,1]=4 1445 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [0,2,0,0,0,0|1,0,0]=3 1446 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [0,2,0,0,0,0|1,0,0]=3 1447 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [0,2,0,0,0,0|1,0,0]=3 1448 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [0,2,0,0,0,0|2,0,0]=4 1449 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [0,2,0,0,0,0|2,0,0]=4 1450 B8R0.3 C=CC(=O)N(C)CCO 240690a_100000210263_200121576911 [0,2,0,0,0,0|2,0,0]=4 1451 B8R0.3 C=CC(C)C(=O)CCO 1458a_100011216780_100000211926 [0,2,0,0,0,0|0,0,2]=4 1452 B8R0.3 C=CCC(=O)C(C)CC 1458a_100000210193_100000758301 [0,2,0,0,0,0|1,0,0]=3 1453 B8R0.3 C=CCC(=O)C(C)CC 1458a_100011192722_100000210623 [0,2,0,0,0,0|1,0,0]=3 1454 B8R0.3 C=CCC(=O)C(C)OC 1458a_100000743197_100000210623 [0,2,0,0,0,0|2,0,0]=4 1455 B8R0.3 C=CCC(=O)C(C)SC 1458a_100000149566_100000210623 [0,2,0,0,0,0|2,0,0]=4 1456 B8R0.3 C=CCC(=O)C(O)CC 1458a_100011196387_100000210623 [0,2,0,0,0,0|2,0,0]=4 1457 B8R0.3 C=CCC(=O)N(C)CC 11a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1458 B8R0.3 C=CCC(=O)N(C)CC 1626a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1459 B8R0.3 C=CCC(=O)N(C)CC 240690a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1460 B8R0.3 C=CCC(=O)N(C)CC 527a_100000225621_100000210193 [0,2,0,0,0,0|2,0,0]=4 1461 B8R0.3 C=CCC(C)C(=O)CC 1458a_100011216819_100000210202 [0,2,0,0,0,0|1,0,1]=4 1462 B8R0.3 C=CCC(C)C(=O)CF 1458a_100011216819_100015361967 [0,2,0,0,0,0|1,0,1]=4 1463 B8R0.3 C=CCC(C)C(=O)NC 11a_106832991635_100011216819 [0,2,0,0,0,0|1,0,1]=4 1464 B8R0.3 C=CCC(C)C(=O)NC 1626a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1465 B8R0.3 C=CCC(C)C(=O)NC 240690a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1466 B8R0.3 C=CCC(C)C(=O)NC 527a_100102657272_100011216819 [0,2,0,0,0,0|1,0,1]=4 1467 B8R0.3 C=CCN(C)C(=O)CO 240690a_100000225617_100000210174 [0,2,0,0,0,0|1,0,1]=4 1468 B8R0.3 C=CCN(C)C(=O)CO 527a_100000225617_100000210174 [0,2,0,0,0,0|1,0,1]=4 1469 B8R0.3 CC#CC(=O)C(C)CC 1458a_100000763181_100000758301 [0,2,0,0,0,0|1,0,0]=3 1470 B8R0.3 CC(C#N)C(=O)CCO 1458a_100000753662_100000211926 [0,2,0,0,0,0|1,0,1]=4 1471 B8R0.3 CC(C#N)C(=O)CCO 1458a_100011216618_100000703298 [0,2,0,0,0,0|1,0,1]=4 1472 B8R0.3 CC(CC#N)C(=O)CO 1458a_100000210174_100009813641 [0,2,0,0,0,0|0,0,1]=3 1473 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [0,2,0,0,0,0|0,0,0]=2 1474 B8R0.3 CC(OCF)C(=O)NN 34a_100000725659_100015361967 [0,2,0,0,0,0|2,0,0]=4 1475 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [0,2,0,0,0,0|1,0,1]=4 1476 B8R0.3 CC/C=C(\C)/C(=O)CF 1458a_100016988807_100015361967 [0,2,0,0,0,0|1,0,1]=4 1477 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [0,2,0,0,0,0|1,0,1]=4 1478 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1479 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1480 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [0,2,0,0,0,0|1,0,1]=4 1481 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [0,2,0,0,0,0|1,0,0]=3 1482 B8R0.3 CC=CC(=O)N(C)CC 11a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1483 B8R0.3 CC=CC(=O)N(C)CC 1626a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1484 B8R0.3 CC=CC(=O)N(C)CC 240690a_100000225621_100000210699 [0,2,0,0,0,0|2,0,0]=4 1485 B8R0.3 CCC(=O)C(C)CC#N 1458a_100000210414_100009813641 [0,2,0,0,0,0|1,0,1]=4 1486 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [0,2,0,0,0,0|1,0,0]=3 1487 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [0,2,0,0,0,0|1,0,0]=3 1488 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [0,2,0,0,0,0|1,0,0]=3 1489 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [0,2,0,0,0,0|1,0,0]=3 1490 B8R0.3 CCC(=O)C(C)SCF 62a_100000742827_100015361967 [0,2,0,0,0,0|2,0,0]=4 1491 B8R0.3 CCC(=O)C(C)SCF 62a_100015361967_100000742827 [0,2,0,0,0,0|2,0,0]=4 1492 B8R0.3 CCC(=O)N(C)CCO 240690a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1493 B8R0.3 CCC(=O)N(C)CCO 527a_100000210263_100000210414 [0,2,0,0,0,0|2,0,0]=4 1494 B8R0.3 CCC(C)C(=O)C=CBr 1458a_100016273825_100000758301 [0,2,0,0,0,0|1,0,0]=3 1495 B8R0.3 CCC(C)C(=O)C=CCl 1458a_200016279998_100000758301 [0,2,0,0,0,0|1,0,0]=3 1496 B8R0.3 CCC(C)C(=O)C=CI 1458a_100016256311_100000758301 [0,2,0,0,0,0|1,0,0]=3 1497 B8R0.3 CCC(C)C(=O)CC#N 1458a_100011192722_100011214920 [0,2,0,0,0,0|1,0,0]=3 1498 B8R0.3 CCC(C)C(=O)CC#N 1458a_100051588842_100000758301 [0,2,0,0,0,0|1,0,0]=3 1499 B8R0.3 CCC(C)C(=O)CCF 1458a_100011192722_100011217306 [0,2,0,0,0,0|1,0,0]=3 1500 B8R0.3 CCC(C)C(=O)CCO 1458a_100011192722_100000211926 [0,2,0,0,0,0|0,0,0]=2 1501 B8R0.3 CCC(C)C(=O)CCO 1458a_100011216618_100000758301 [0,2,0,0,0,0|0,0,0]=2 1502 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [0,2,0,0,0,0|0,0,0]=2 1503 B8R0.3 CCC(C)C(=O)CSC 1458a_100000184570_100000758301 [0,2,0,0,0,0|0,1,0]=3 1504 B8R0.3 CCC(C)C(=O)NNC 22a_100016993582_100011192722 [0,2,0,0,0,0|1,0,0]=3 1505 B8R0.3 CCC(C)C(C)OCF 7a_100011215189_100015361967 [0,2,0,0,0,0|1,0,1]=4 1506 B8R0.3 CCC(C)N(C)CC=O 2230a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1507 B8R0.3 CCC(C)N(C)CC=O 269982a_100000741768_200015260668 [0,2,0,0,0,0|2,0,0]=4 1508 B8R0.3 CCC(C)N(C)CCO 2230a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1509 B8R0.3 CCC(C)N(C)CCO 2230a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1510 B8R0.3 CCC(C)N(C)CCO 269982a_100000210263_100000758301 [0,2,0,0,0,0|2,0,0]=4 1511 B8R0.3 CCC(C)N(C)CCO 269982a_100000741768_100000211926 [0,2,0,0,0,0|2,0,0]=4 1512 B8R0.3 CCC(C)N(C)COC 2230a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1513 B8R0.3 CCC(C)N(C)COC 269982a_100000741768_100000766300 [0,2,0,0,0,0|2,0,0]=4 1514 B8R0.3 CCC(O)C(=O)CC#N 1458a_100011196387_100011214920 [0,2,0,0,0,0|2,0,0]=4 1515 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [0,2,0,0,0,0|2,0,0]=4 1516 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [0,2,0,0,0,0|1,0,0]=3 1517 B8R0.3 CCC(O)C(=O)NNC 22a_100016993582_100011196387 [0,2,0,0,0,0|2,0,0]=4 1518 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [0,2,0,0,0,0|1,0,0]=3 1519 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [0,2,0,0,0,0|1,0,0]=3 1520 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [0,2,0,0,0,0|2,0,0]=4 1521 B8R0.3 CCCC(=O)C(C)SC 1458a_100000149566_100000210303 [0,2,0,0,0,0|2,0,0]=4 1522 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [0,2,0,0,0,0|2,0,0]=4 1523 B8R0.3 CCCC(=O)N(C)CC 11a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1524 B8R0.3 CCCC(=O)N(C)CC 1626a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1525 B8R0.3 CCCC(=O)N(C)CC 240690a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1526 B8R0.3 CCCC(=O)N(C)CC 527a_100000225621_100000211992 [0,2,0,0,0,0|2,0,0]=4 1527 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [0,2,0,0,0,0|1,0,0]=3 1528 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [0,2,0,0,0,0|1,0,0]=3 1529 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [0,2,0,0,0,0|1,0,0]=3 1530 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [0,2,0,0,0,0|0,0,0]=2 1531 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [0,2,0,0,0,0|1,0,0]=3 1532 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1533 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1534 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [0,2,0,0,0,0|1,0,0]=3 1535 B8R0.3 CCCC(C)C(C)OC 34a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 1536 B8R0.3 CCCC(C)C(C)OC 7a_100000708338_200000210301 [0,2,0,0,0,0|1,0,1]=4 1537 B8R0.3 CCCC(C)C(C)O[13CH3] 34a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 1538 B8R0.3 CCCC(C)C(C)O[13CH3] 7a_100000708338_200025704644 [0,2,0,0,0,0|1,0,1]=4 1539 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1540 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1541 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1542 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [0,2,0,0,0,0|2,0,0]=4 1543 B8R0.3 CCCN(C)C(=O)CO 240690a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 1544 B8R0.3 CCCN(C)C(=O)CO 527a_100000747261_100000210174 [0,2,0,0,0,0|1,0,0]=3 1545 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1546 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [0,2,0,0,0,0|2,0,0]=4 1547 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [0,2,0,0,0,0|2,0,0]=4 1548 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [0,2,0,0,0,0|2,0,0]=4 1549 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [0,2,0,0,0,0|2,0,0]=4 1550 B8R0.3 CCN(C)C(=O)C=CBr 1626a_100000225621_100016273825 [0,2,0,0,0,0|2,0,0]=4 1551 B8R0.3 CCN(C)C(=O)C=CBr 240690a_100000225621_100016273825 [0,2,0,0,0,0|2,0,0]=4 1552 B8R0.3 CCN(C)C(=O)C=CCl 11a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 1553 B8R0.3 CCN(C)C(=O)C=CCl 1626a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 1554 B8R0.3 CCN(C)C(=O)C=CCl 240690a_100000225621_200016279998 [0,2,0,0,0,0|2,0,0]=4 1555 B8R0.3 CCN(C)C(=O)C=CI 1626a_100000225621_100016256311 [0,2,0,0,0,0|2,0,0]=4 1556 B8R0.3 CCN(C)C(=O)CC#N 1626a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1557 B8R0.3 CCN(C)C(=O)CC#N 240690a_100000225621_100051588842 [0,2,0,0,0,0|2,0,0]=4 1558 B8R0.3 CCN(C)C(=O)CCO 240690a_100000225621_100011216618 [0,2,0,0,0,0|1,0,0]=3 1559 B8R0.3 CCN(C)C(=O)CNC 2230a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1560 B8R0.3 CCN(C)C(=O)CNC 34a_100102657272_100000738999 [0,2,0,0,0,0|2,0,0]=4 1561 B8R0.3 CCN(C)C(=O)CNC 7a_106832991635_100000738999 [0,2,0,0,0,0|2,0,0]=4 1562 B8R0.3 CCN(C)C(=O)COC 11a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1563 B8R0.3 CCN(C)C(=O)COC 1626a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1564 B8R0.3 CCN(C)C(=O)COC 240690a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1565 B8R0.3 CCN(C)C(=O)COC 34a_100138415774_100000738999 [0,2,0,0,0,0|1,0,0]=3 1566 B8R0.3 CCN(C)C(=O)COC 527a_100000225621_100000210968 [0,2,0,0,0,0|1,0,0]=3 1567 B8R0.3 CCN(C)C(=O)CSC 11a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1568 B8R0.3 CCN(C)C(=O)CSC 1626a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1569 B8R0.3 CCN(C)C(=O)CSC 240690a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1570 B8R0.3 CCN(C)C(=O)CSC 527a_100000225621_100000184570 [0,2,0,0,0,0|1,1,0]=4 1571 B8R0.3 CCN(C)C(=O)CSC 62a_100000738999_200000210301 [0,2,0,0,0,0|1,1,0]=4 1572 B8R0.3 CCN(C)C(=O)CSC 62a_200000210301_100000738999 [0,2,0,0,0,0|1,1,0]=4 1573 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_100000738999_200025704644 [0,2,0,0,0,0|1,1,0]=4 1574 B8R0.3 CCN(C)C(=O)CS[13CH3] 62a_200025704644_100000738999 [0,2,0,0,0,0|1,1,0]=4 1575 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1576 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1577 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [0,2,0,0,0,0|1,0,1]=4 1578 B8R0.3 CCNC(=O)C(C)CC 11a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1579 B8R0.3 CCNC(=O)C(C)CC 240690a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1580 B8R0.3 CCNC(=O)C(C)CC 527a_100015525214_100011192722 [0,2,0,0,0,0|1,0,0]=3 1581 B8R0.3 CCNC(=O)C(C)NC 2230a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 1582 B8R0.3 CCNC(=O)C(C)NC 2230a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 1583 B8R0.3 CCNC(=O)C(C)NC 34a_100000736553_200000210301 [0,2,0,0,0,0|2,0,0]=4 1584 B8R0.3 CCNC(=O)C(C)NC 34a_100102657272_100000230173 [0,2,0,0,0,0|2,0,0]=4 1585 B8R0.3 CCNC(=O)C(C)NC 7a_106832991635_100000230173 [0,2,0,0,0,0|2,0,0]=4 1586 B8R0.3 CCNC(=O)C(C)N[13CH3] 2230a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 1587 B8R0.3 CCNC(=O)C(C)N[13CH3] 34a_100000736553_200025704644 [0,2,0,0,0,0|2,0,0]=4 1588 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1589 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1590 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [0,2,0,0,0,0|2,0,0]=4 1591 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [0,2,0,0,0,0|2,0,0]=4 1592 B8R0.3 CCNC(=O)C(C)SC 11a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1593 B8R0.3 CCNC(=O)C(C)SC 240690a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1594 B8R0.3 CCNC(=O)C(C)SC 527a_100015525214_100000149566 [0,2,0,0,0,0|2,0,0]=4 1595 B8R0.3 CCNC(=O)C(C)SC 62a_100000230173_200000210301 [0,2,0,0,0,0|2,0,0]=4 1596 B8R0.3 CCNC(=O)C(C)SC 62a_200000210301_100000230173 [0,2,0,0,0,0|2,0,0]=4 1597 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_100000230173_200025704644 [0,2,0,0,0,0|2,0,0]=4 1598 B8R0.3 CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230173 [0,2,0,0,0,0|2,0,0]=4 1599 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [0,2,0,0,0,0|2,0,0]=4 1600 B8R0.3 CCNC(=O)N(C)CC 2708a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1601 B8R0.3 CCNC(=O)N(C)CC 273464a_100015525214_100000225621 [0,2,0,0,0,0|2,0,0]=4 1602 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [0,2,0,0,0,0|1,0,0]=3 1603 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [0,2,0,0,0,0|1,0,0]=3 1604 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [0,2,0,0,0,0|0,0,0]=2 1605 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [0,2,0,0,0,0|2,0,0]=4 1606 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1607 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [0,2,0,0,0,0|1,0,0]=3 1608 B8R0.3 CCOC(=O)C(C)NC 2230a_106832991635_100011215307 [0,2,0,0,0,0|1,0,0]=3 1609 B8R0.3 CCOC(=O)C(C)NC 34a_100102657272_100011216346 [0,2,0,0,0,0|1,0,0]=3 1610 B8R0.3 CCOC(=O)C(C)NC 7a_106832991635_100011216346 [0,2,0,0,0,0|1,0,0]=3 1611 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [0,2,0,0,0,0|1,0,0]=3 1612 B8R0.3 CCOC(=O)C(C)SC 62a_100011216346_200000210301 [0,2,0,0,0,0|1,0,0]=3 1613 B8R0.3 CCOC(=O)C(C)SC 62a_200000210301_100011216346 [0,2,0,0,0,0|1,0,0]=3 1614 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_100011216346_200025704644 [0,2,0,0,0,0|1,0,0]=3 1615 B8R0.3 CCOC(=O)C(C)S[13CH3] 62a_200025704644_100011216346 [0,2,0,0,0,0|1,0,0]=3 1616 B8R0.3 CCOC(=O)C(F)NC 2230a_106832991635_100000760018 [0,2,0,0,0,0|2,0,0]=4 1617 B8R0.3 CCOC(=O)C(F)NC 34a_100102657272_100000760018 [0,2,0,0,0,0|2,0,0]=4 1618 B8R0.3 CCOC(=O)C(F)NC 7a_106832991635_100000040065 [0,2,0,0,0,0|2,0,0]=4 1619 B8R0.3 CCOC(=O)C(F)OC 34a_100138415774_100000760018 [0,2,0,0,0,0|2,0,0]=4 1620 B8R0.3 CCOC(=O)C(F)SC 62a_100000760018_200000210301 [0,2,0,0,0,0|2,0,0]=4 1621 B8R0.3 CCOC(=O)C(F)SC 62a_200000210301_100000760018 [0,2,0,0,0,0|2,0,0]=4 1622 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_100000760018_200025704644 [0,2,0,0,0,0|2,0,0]=4 1623 B8R0.3 CCOC(=O)C(F)S[13CH3] 62a_200025704644_100000760018 [0,2,0,0,0,0|2,0,0]=4 1624 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [0,2,0,0,0,0|1,0,0]=3 1625 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [0,2,0,0,0,0|1,0,0]=3 1626 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [0,2,0,0,0,0|1,0,0]=3 1627 B8R0.3 CCOC(C)C(=O)CF 1458a_100000739345_100015361967 [0,2,0,0,0,0|1,0,0]=3 1628 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [0,2,0,0,0,0|1,0,0]=3 1629 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1630 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1631 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [0,2,0,0,0,0|1,0,0]=3 1632 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [0,2,0,0,0,0|1,0,0]=3 1633 B8R0.3 CCOC(C)C(=O)NN 34a_100000725659_100000210202 [0,2,0,0,0,0|1,0,0]=3 1634 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [0,2,0,0,0,0|0,0,0]=2 1635 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [0,2,0,0,0,0|0,0,0]=2 1636 B8R0.3 CCOC(C)C(C)CC 7a_100011215189_100000210202 [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [0,2,0,0,0,0|2,0,0]=4 1638 B8R0.3 CCSC(=O)[C@H](C)NC 2230a_100103168634_200000210301 [0,2,0,0,0,0|1,1,0]=4 1639 B8R0.3 CCSC(=O)[C@H](C)N[13CH3] 2230a_100103168634_200025704644 [0,2,0,0,0,0|1,1,0]=4 1640 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [0,2,0,0,0,0|1,0,0]=3 1641 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [0,2,0,0,0,0|1,0,0]=3 1642 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [0,2,0,0,0,0|1,0,0]=3 1643 B8R0.3 CCSC(C)C(=O)CF 1458a_100000230601_100015361967 [0,2,0,0,0,0|1,0,0]=3 1644 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [0,2,0,0,0,0|1,0,0]=3 1645 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1646 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1647 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [0,2,0,0,0,0|1,0,0]=3 1648 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [0,2,0,0,0,0|1,0,0]=3 1649 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [0,2,0,0,0,0|1,0,0]=3 1650 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [0,2,0,0,0,0|0,0,0]=2 1651 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [0,2,0,0,0,0|0,0,0]=2 1652 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [0,2,0,0,0,0|2,0,0]=4 1653 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [0,2,0,0,0,0|2,0,0]=4 1654 B8R0.3 CN(CCO)C(=O)CO 240690a_100000210263_100000210174 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.3 CN(CCO)C(=O)CO 527a_100000210263_100000210174 [0,2,0,0,0,0|1,0,0]=3 1656 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1657 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [0,2,0,0,0,0|1,0,0]=3 1658 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [0,2,0,0,0,0|1,0,0]=3 1659 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1660 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1661 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [0,2,0,0,0,0|1,0,0]=3 1662 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [0,2,0,0,0,0|1,0,0]=3 1663 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1664 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1665 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [0,2,0,0,0,0|1,0,0]=3 1666 B8R0.3 CNC(=O)C(C)SCF 62a_100000209862_100015361967 [0,2,0,0,0,0|2,0,0]=4 1667 B8R0.3 CNC(=O)C(C)SCF 62a_100015361967_100000731044 [0,2,0,0,0,0|2,0,0]=4 1668 B8R0.3 CNC(=O)N(C)CCO 2708a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1669 B8R0.3 CNC(=O)N(C)CCO 273464a_100102657272_100000210263 [0,2,0,0,0,0|2,0,0]=4 1670 B8R0.3 CNC(=O)[C@@H](C)NCF 34a_100000684985_100015361967 [0,2,0,0,0,0|2,0,0]=4 1671 B8R0.3 CNCC(=O)C(=O)OC 34a_100102657272_100011610305 [0,2,0,0,0,0|1,0,1]=4 1672 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1673 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [0,2,0,0,0,0|1,0,0]=3 1674 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [0,2,0,0,0,0|0,0,0]=2 1675 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [0,2,0,0,0,0|2,0,0]=4 1676 B8R0.3 CNNC(=O)C(C)SC 22a_100016993582_100000149566 [0,2,0,0,0,0|2,0,0]=4 1677 B8R0.3 COC(=O)C(=O)CSC 62a_100011610305_200000210301 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.3 COC(=O)C(=O)CSC 62a_200000210301_100011610305 [0,2,0,0,0,0|1,0,1]=4 1679 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_100011610305_200025704644 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.3 COC(=O)C(=O)CS[13CH3] 62a_200025704644_100011610305 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [0,2,0,0,0,0|0,0,0]=2 1682 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [0,2,0,0,0,0|0,0,0]=2 1683 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [0,2,0,0,0,0|0,0,0]=2 1684 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [0,2,0,0,0,0|0,0,0]=2 1685 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [0,2,0,0,0,0|0,0,0]=2 1686 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [0,2,0,0,0,0|0,0,0]=2 1687 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [0,2,0,0,0,0|1,0,0]=3 1688 B8R0.3 COC(=O)C(C)SCF 62a_100000211248_100015361967 [0,2,0,0,0,0|1,0,0]=3 1689 B8R0.3 COC(=O)C(C)SCF 62a_100015361967_100000211248 [0,2,0,0,0,0|1,0,0]=3 1690 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [0,2,0,0,0,0|1,0,0]=3 1691 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [0,2,0,0,0,0|1,0,0]=3 1692 B8R0.3 COC(C)C(=O)CC#N 1458a_100000743197_100011214920 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.3 COC(C)C(=O)CCF 1458a_100000743197_100011217306 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.3 COC(C)C(=O)CCO 1458a_100000743197_100000211926 [0,2,0,0,0,0|1,0,0]=3 1695 B8R0.3 COCC(=O)C(=O)OC 34a_100138415774_100011610305 [0,2,0,0,0,0|1,0,1]=4 1696 B8R0.3 COCC(=O)C(C)C#N 1458a_100000210968_100000703298 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.3 COCC(C)C(=O)CF 1458a_100000751857_100015361967 [0,2,0,0,0,0|1,0,0]=3 1698 B8R0.3 COCC(C)C(=O)CO 1458a_100000210174_100000765312 [0,2,0,0,0,0|0,0,0]=2 1699 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [0,2,0,0,0,0|0,0,0]=2 1700 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [0,2,0,0,0,0|0,0,0]=2 1701 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [0,2,0,0,0,0|0,0,0]=2 1702 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [0,2,0,0,0,0|1,0,0]=3 1703 B8R0.3 COCC(N)C(=O)NN 34a_100016989258_200000210301 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [0,2,0,0,0,0|1,0,0]=3 1705 B8R0.3 CSC(C)C(=O)CC#N 1458a_100000149566_100011214920 [0,2,0,0,0,0|2,0,0]=4 1706 B8R0.3 CSC(C)C(=O)CCF 1458a_100000149566_100011217306 [0,2,0,0,0,0|2,0,0]=4 1707 B8R0.3 CSC(C)C(=O)CCO 1458a_100000149566_100000211926 [0,2,0,0,0,0|1,0,0]=3 1708 B8R0.3 CSCC(C)C(=O)CF 1458a_100000753918_100015361967 [0,2,0,0,0,0|1,0,0]=3 1709 B8R0.3 O=C(CCO)C(O)CO 1458a_100011215603_100000211926 [0,2,0,0,0,0|2,0,0]=4 1710 B8R0.3 [13CH3]OCC(N)C(=O)NN 34a_100016989258_200025704644 [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.8 C#CCNC(C)C(=O)N 34a_100000212058_100000702099 [0,2,0,0,0,0|1,0,1]=4 1712 B8R0.8 C#CCN[C@@H](C)C(=O)O 269956a_100000743915_100000184674 [0,2,0,0,0,0|0,0,1]=3 1713 B8R0.8 C#CCN[C@H](C)C(=O)N 2230a_100000119354_100000038162 [0,2,0,0,0,0|1,0,1]=4 1714 B8R0.8 C#CCN[C@H](C)C(=O)N 34a_100000119354_100000184674 [0,2,0,0,0,0|1,0,1]=4 1715 B8R0.8 C#CCOC(C)C(=O)C 34a_100000212229_100000184674 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.8 C#CCOC(C)C(=O)N 34a_100000210247_100000702099 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.8 C#CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000038162 [0,2,0,0,0,0|0,0,2]=4 1718 B8R0.8 C#CCO[C@H](C)C(=O)N 34a_100000731257_100000184674 [0,2,0,0,0,0|1,0,1]=4 1719 B8R0.8 C#CCO[C@H](C)C(=O)N 7a_100000731257_100000038162 [0,2,0,0,0,0|1,0,1]=4 1720 B8R0.8 C#CCSC(C)C(=O)C 62a_100000038162_100009814033 [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.8 C#CCSC(C)C(=O)N 62a_100000038162_100000702099 [0,2,0,0,0,0|1,0,1]=4 1722 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.8 C=C(C)C(C)NCCF 269862a_100000724931_100011216138 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.8 C=C(C)C(C)NCCO 269862a_100000210304_100011216138 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1726 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1727 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,2,0,0,0,0|2,0,0]=4 1728 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,2,0,0,0,0|2,0,0]=4 1729 B8R0.8 C=CCNC(C)C(=O)C 2230a_100020586998_100009814033 [0,2,0,0,0,0|1,0,1]=4 1730 B8R0.8 C=CCNC(C)C(=O)N 2230a_100020586998_100000702099 [0,2,0,0,0,0|1,0,1]=4 1731 B8R0.8 C=CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210623 [0,2,0,0,0,0|0,0,1]=3 1732 B8R0.8 C=CCN[C@H](C)C(=O)N 2230a_100000119354_100000210623 [0,2,0,0,0,0|1,0,1]=4 1733 B8R0.8 C=CCN[C@H](C)C(=O)N 34a_100000119354_100015514636 [0,2,0,0,0,0|1,0,1]=4 1734 B8R0.8 C=CCOC(C)C(=O)C 34a_100000212229_100015514636 [0,2,0,0,0,0|1,0,1]=4 1735 B8R0.8 C=CCOC(C)C(=O)N 34a_200000210373_100000702099 [0,2,0,0,0,0|1,0,1]=4 1736 B8R0.8 C=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100015514636 [0,2,0,0,0,0|0,0,2]=4 1737 B8R0.8 C=CCO[C@H](C)C(=O)N 34a_100000731257_100015514636 [0,2,0,0,0,0|1,0,1]=4 1738 B8R0.8 C=CCO[C@H](C)C(=O)N 7a_100000731257_100015514636 [0,2,0,0,0,0|1,0,1]=4 1739 B8R0.8 C=CCSC(C)C(=O)C 1458a_100000230602_200000210301 [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.8 C=CCSC(C)C(=O)C 62a_100000210623_100009814033 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.8 C=CCSC(C)C(=O)C 62a_100009814033_100000210623 [0,2,0,0,0,0|1,0,1]=4 1742 B8R0.8 C=CCSC(C)C(=O)N 62a_100000210623_100000702099 [0,2,0,0,0,0|1,0,1]=4 1743 B8R0.8 C=CCSC(C)C(=O)N 62a_100000702099_100000210623 [0,2,0,0,0,0|1,0,1]=4 1744 B8R0.8 C=CCSC(C)C(=O)[13CH3] 1458a_100000230602_200025704644 [0,2,0,0,0,0|1,0,1]=4 1745 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 1746 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,2,0,0,0,0|1,0,0]=3 1747 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,2,0,0,0,0|1,0,0]=3 1748 B8R0.8 CC(=O)C(C)OCC=O 34a_100000212229_200009817547 [0,2,0,0,0,0|1,0,1]=4 1749 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,2,0,0,0,0|1,0,0]=3 1750 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,2,0,0,0,0|1,0,0]=3 1751 B8R0.8 CC(=O)C(C)SCC#N 62a_100009814033_100011215382 [0,2,0,0,0,0|1,0,1]=4 1752 B8R0.8 CC(=O)C(C)SCC#N 62a_100011215382_100009814033 [0,2,0,0,0,0|1,0,1]=4 1753 B8R0.8 CC(=O)C(C)SCC=O 62a_100009814033_200015260668 [0,2,0,0,0,0|1,0,1]=4 1754 B8R0.8 CC(=O)C(C)SCC=O 62a_200015260668_100009814033 [0,2,0,0,0,0|1,0,1]=4 1755 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,2,0,0,0,0|1,0,0]=3 1756 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,2,0,0,0,0|1,0,0]=3 1757 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,2,0,0,0,0|1,0,0]=3 1758 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,2,0,0,0,0|1,0,0]=3 1759 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1760 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1761 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1762 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,2,0,0,0,0|2,0,0]=4 1763 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,2,0,0,0,0|2,0,0]=4 1764 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,2,0,0,0,0|2,0,0]=4 1765 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,2,0,0,0,0|0,0,0]=2 1766 B8R0.8 CC(COCF)[N+](=O)[O-] 34a_100000039676_100015361967 [0,2,0,0,0,0|1,0,1]=4 1767 B8R0.8 CC(COCF)[N+](=O)[O-] 7a_100000039676_100015361967 [0,2,0,0,0,0|1,0,1]=4 1768 B8R0.8 CC(NCCF)C(=O)N 34a_100000724931_100000702099 [0,2,0,0,0,0|1,0,0]=3 1769 B8R0.8 CC(NCCO)C(=O)N 2230a_100016997473_100000702099 [0,2,0,0,0,0|1,0,0]=3 1770 B8R0.8 CC(NCCO)C(=O)N 34a_100016990907_100000702099 [0,2,0,0,0,0|1,0,0]=3 1771 B8R0.8 CC(OCCBr)C(=O)N 34a_100000211926_100000702099 [0,2,0,0,0,0|1,0,0]=3 1772 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,2,0,0,0,0|1,0,0]=3 1773 B8R0.8 CC(SCC#N)C(=O)N 62a_100000702099_100011215382 [0,2,0,0,0,0|1,0,1]=4 1774 B8R0.8 CC(SCC#N)C(=O)N 62a_100011215382_100000702099 [0,2,0,0,0,0|1,0,1]=4 1775 B8R0.8 CC(SCC=O)C(=O)N 62a_100000702099_200015260668 [0,2,0,0,0,0|1,0,1]=4 1776 B8R0.8 CC(SCC=O)C(=O)N 62a_200015260668_100000702099 [0,2,0,0,0,0|1,0,1]=4 1777 B8R0.8 CC(SCCF)C(=O)N 62a_100000702099_100011217306 [0,2,0,0,0,0|1,0,0]=3 1778 B8R0.8 CC(SCCF)C(=O)N 62a_100011217306_100000702099 [0,2,0,0,0,0|1,0,0]=3 1779 B8R0.8 CC(SCCO)C(=O)N 62a_100000211926_100000702099 [0,2,0,0,0,0|1,0,0]=3 1780 B8R0.8 CC(SCCO)C(=O)N 62a_100000702099_100000211926 [0,2,0,0,0,0|1,0,0]=3 1781 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,2,0,0,0,0|1,0,1]=4 1782 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,2,0,0,0,0|1,0,1]=4 1783 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,2,0,0,0,0|1,0,0]=3 1784 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,2,0,0,0,0|1,0,0]=3 1785 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,2,0,0,0,0|1,0,0]=3 1786 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,2,0,0,0,0|2,0,0]=4 1787 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,2,0,0,0,0|2,0,0]=4 1788 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1789 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1790 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,2,0,0,0,0|2,0,0]=4 1791 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,2,0,0,0,0|2,0,0]=4 1792 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,2,0,0,0,0|0,0,0]=2 1793 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,2,0,0,0,0|1,0,0]=3 1794 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,2,0,0,0,0|1,0,0]=3 1795 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,2,0,0,0,0|1,0,0]=3 1796 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,2,0,0,0,0|1,0,0]=3 1797 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,2,0,0,0,0|2,0,0]=4 1798 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,2,0,0,0,0|1,0,1]=4 1799 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,2,0,0,0,0|0,0,1]=3 1800 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,2,0,0,0,0|1,0,0]=3 1801 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,2,0,0,0,0|1,0,0]=3 1802 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,2,0,0,0,0|1,0,0]=3 1803 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,2,0,0,0,0|1,0,0]=3 1804 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,2,0,0,0,0|1,0,0]=3 1805 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,2,0,0,0,0|1,0,0]=3 1806 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,2,0,0,0,0|2,0,0]=4 1807 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,2,0,0,0,0|2,0,0]=4 1808 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,2,0,0,0,0|1,0,1]=4 1809 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,2,0,0,0,0|1,0,1]=4 1810 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,2,0,0,0,0|0,0,0]=2 1811 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,2,0,0,0,0|1,0,0]=3 1812 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 1813 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,2,0,0,0,0|1,0,0]=3 1814 B8R0.8 CCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210202 [0,2,0,0,0,0|1,0,1]=4 1815 B8R0.8 CCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210202 [0,2,0,0,0,0|1,0,1]=4 1816 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|2,0,0]=4 1817 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1818 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1819 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,2,0,0,0,0|2,0,0]=4 1820 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,2,0,0,0,0|2,0,0]=4 1821 B8R0.8 COCN[C@@H](C)C(=O)O 269956a_100000743915_100000766300 [0,2,0,0,0,0|0,0,0]=2 1822 B8R0.8 COCN[C@H](C)C(=O)N 2230a_100000119354_100000766300 [0,2,0,0,0,0|1,0,0]=3 1823 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,2,0,0,0,0|1,0,0]=3 1824 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,2,0,0,0,0|1,0,0]=3 1825 B8R0.8 COCSC(C)C(=O)N 62a_100000702099_100000766300 [0,2,0,0,0,0|1,0,0]=3 1826 B8R0.8 COCSC(C)C(=O)N 62a_100000766300_100000702099 [0,2,0,0,0,0|1,0,0]=3 1827 B8R0.8 COCSC(F)C(=O)N 62a_100000766300_100009813875 [0,2,0,0,0,0|2,0,0]=4 1828 B8R0.8 COCSC(F)C(=O)N 62a_100009813875_100000766300 [0,2,0,0,0,0|2,0,0]=4 1829 B8R0.8 COCSC(F)C(=O)[O-] 62a_100000766300_100020610796 [0,2,0,0,0,0|1,0,1]=4 1830 B8R0.8 COCSC(F)C(=O)[O-] 62a_100020610796_100000766300 [0,2,0,0,0,0|1,0,1]=4 1831 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,2,0,0,0,0|2,0,0]=4 1832 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,2,0,0,0,0|2,0,0]=4 1833 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1834 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1835 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,2,0,0,0,0|2,0,0]=4 1836 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,2,0,0,0,0|2,0,0]=4 1837 B8R0.8 CSCN[C@@H](C)C(=O)O 269956a_100000743915_100011218213 [0,2,0,0,0,0|0,0,0]=2 1838 B8R0.8 CSCN[C@H](C)C(=O)N 2230a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 1839 B8R0.8 CSCN[C@H](C)C(=O)N 34a_100000119354_100011218213 [0,2,0,0,0,0|1,0,0]=3 1840 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,2,0,0,0,0|1,0,0]=3 1841 B8R0.8 CSCO[C@H](C)C(=O)N 34a_100000731257_100011218213 [0,2,0,0,0,0|1,0,0]=3 1842 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,2,0,0,0,0|1,0,0]=3 1843 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,2,0,0,0,0|1,0,0]=3 1844 B8R0.8 CSCSC(C)C(=O)N 62a_100000702099_100011218213 [0,2,0,0,0,0|1,0,0]=3 1845 B8R0.8 CSCSC(C)C(=O)N 62a_100011218213_100000702099 [0,2,0,0,0,0|1,0,0]=3 1846 B8R0.8 CSCSC(F)C(=O)N 62a_100009813875_100011218213 [0,2,0,0,0,0|2,0,0]=4 1847 B8R0.8 CSCSC(F)C(=O)N 62a_100011218213_100009813875 [0,2,0,0,0,0|2,0,0]=4 1848 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100011218213_100020610796 [0,2,0,0,0,0|1,0,1]=4 1849 B8R0.8 CSCSC(F)C(=O)[O-] 62a_100020610796_100011218213 [0,2,0,0,0,0|1,0,1]=4 1850 B8R0.8 C[C@@H](NCC#N)C(=O)N 2230a_100000119354_100011215382 [0,2,0,0,0,0|1,0,1]=4 1851 B8R0.8 C[C@@H](NCC=O)C(=O)N 2230a_100000119354_200015260668 [0,2,0,0,0,0|1,0,1]=4 1852 B8R0.8 C[C@@H](NCC=O)C(=O)N 34a_100000119354_200009817547 [0,2,0,0,0,0|1,0,1]=4 1853 B8R0.8 C[C@@H](NCCF)C(=O)N 2230a_100000119354_100011217306 [0,2,0,0,0,0|1,0,0]=3 1854 B8R0.8 C[C@@H](NCCF)C(=O)N 34a_100000119354_100011217306 [0,2,0,0,0,0|1,0,0]=3 1855 B8R0.8 C[C@@H](NCCO)C(=O)N 2230a_100000119354_100000211926 [0,2,0,0,0,0|1,0,0]=3 1856 B8R0.8 C[C@@H](NCCO)C(=O)N 34a_100000119354_100000211926 [0,2,0,0,0,0|1,0,0]=3 1857 B8R0.8 C[C@@H](OCC#N)C(=O)N 7a_100000731257_100011215382 [0,2,0,0,0,0|1,0,1]=4 1858 B8R0.8 C[C@@H](OCC=O)C(=O)N 34a_100000731257_200009817547 [0,2,0,0,0,0|1,0,1]=4 1859 B8R0.8 C[C@@H](OCC=O)C(=O)N 7a_100000731257_200015260668 [0,2,0,0,0,0|1,0,1]=4 1860 B8R0.8 C[C@@H](OCCF)C(=O)N 34a_100000731257_100011217306 [0,2,0,0,0,0|1,0,0]=3 1861 B8R0.8 C[C@@H](OCCF)C(=O)N 7a_100000731257_100011217306 [0,2,0,0,0,0|1,0,0]=3 1862 B8R0.8 C[C@@H](OCCO)C(=O)N 34a_100000731257_100000211926 [0,2,0,0,0,0|1,0,0]=3 1863 B8R0.8 C[C@@H](OCCO)C(=O)N 7a_100000731257_100000211926 [0,2,0,0,0,0|1,0,0]=3 1864 B8R0.8 C[C@H](NCC#N)C(=O)O 269956a_100000743915_100011215382 [0,2,0,0,0,0|0,0,1]=3 1865 B8R0.8 C[C@H](NCC=O)C(=O)O 269956a_100000743915_200015260668 [0,2,0,0,0,0|0,0,1]=3 1866 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,2,0,0,0,0|0,0,0]=2 1867 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,2,0,0,0,0|0,0,0]=2 1868 B8R0.8 C[C@H](OCC#N)C(=O)[O-] 7a_217856618621_100011215382 [0,2,0,0,0,0|0,0,2]=4 1869 B8R0.8 C[C@H](OCC=O)C(=O)[O-] 7a_217856618621_200015260668 [0,2,0,0,0,0|0,0,2]=4 1870 B8R0.8 C[C@H](OCCF)C(=O)[O-] 7a_217856618621_100011217306 [0,2,0,0,0,0|0,0,1]=3 1871 B8R0.8 C[C@H](OCCO)C(=O)[O-] 7a_217856618621_100000211926 [0,2,0,0,0,0|0,0,1]=3 1872 B8R0.8 NC(=O)C(F)NCCF 34a_100000724931_100009813875 [0,2,0,0,0,0|2,0,0]=4 1873 B8R0.8 NC(=O)C(F)NCCO 2230a_100016997473_100009813875 [0,2,0,0,0,0|2,0,0]=4 1874 B8R0.8 NC(=O)C(F)NCCO 34a_100016990907_100009813875 [0,2,0,0,0,0|2,0,0]=4 1875 B8R0.8 NC(=O)C(F)OCCBr 34a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 1876 B8R0.8 NC(=O)C(F)SCCF 62a_100009813875_100011217306 [0,2,0,0,0,0|2,0,0]=4 1877 B8R0.8 NC(=O)C(F)SCCF 62a_100011217306_100009813875 [0,2,0,0,0,0|2,0,0]=4 1878 B8R0.8 NC(=O)C(F)SCCO 62a_100000211926_100009813875 [0,2,0,0,0,0|2,0,0]=4 1879 B8R0.8 NC(=O)C(F)SCCO 62a_100009813875_100000211926 [0,2,0,0,0,0|2,0,0]=4 1880 B8R0.8 NC(=O)[C@@H](N)COCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 1881 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,2,0,0,0,0|2,0,0]=4 1882 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,2,0,0,0,0|1,0,1]=4 1883 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,2,0,0,0,0|1,0,0]=3 1884 B8R0.8 O=C([O-])C(F)NCCF 34a_100000724931_100020610796 [0,2,0,0,0,0|1,0,1]=4 1885 B8R0.8 O=C([O-])C(F)NCCO 34a_100016990907_100020610796 [0,2,0,0,0,0|1,0,1]=4 1886 B8R0.8 O=C([O-])C(F)OCCBr 34a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 1887 B8R0.8 O=C([O-])C(F)SCCF 62a_100011217306_100020610796 [0,2,0,0,0,0|1,0,1]=4 1888 B8R0.8 O=C([O-])C(F)SCCF 62a_100020610796_100011217306 [0,2,0,0,0,0|1,0,1]=4 1889 B8R0.8 O=C([O-])C(F)SCCO 62a_100000211926_100020610796 [0,2,0,0,0,0|1,0,1]=4 1890 B8R0.8 O=C([O-])C(F)SCCO 62a_100020610796_100000211926 [0,2,0,0,0,0|1,0,1]=4 1891 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,2,0,0,0,0|1,0,1]=4 1892 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,2,0,0,0,0|1,0,1]=4 1893 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 1894 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,2,0,0,0,0|2,0,0]=4 1895 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,2,0,0,0,0|2,0,0]=4 1896 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,2,0,0,0,0|2,0,0]=4 1897 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,2,0,0,0,0|1,0,0]=3 1898 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,2,0,0,0,0|1,0,0]=3 1899 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,2,0,0,0,0|0,0,0]=2 1900 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 34a_100000032158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1901 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 7a_100000032158_200025704644 [0,2,0,0,0,0|1,0,1]=4 1902 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,2,0,0,0,0|1,0,0]=3 1903 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,2,0,0,0,0|1,0,0]=3 1904 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,2,0,0,0,0|2,0,0]=4 1905 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,2,0,0,0,0|2,0,0]=4 1906 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,2,0,0,0,0|2,0,0]=4 1907 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,2,0,0,0,0|1,0,0]=3 1908 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,2,0,0,0,0|2,0,0]=4 1909 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,2,0,0,0,0|2,0,0]=4 1910 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,2,0,0,0,0|1,0,0]=3 1911 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,2,0,0,0,0|1,0,0]=3 1912 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,2,0,0,0,0|1,0,0]=3 1913 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,2,0,0,0,0|1,0,0]=3 1914 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,2,0,0,0,0|1,0,0]=3 1915 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,2,0,0,0,0|1,0,0]=3 1916 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1917 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,2,0,0,0,0|1,0,0]=3 1918 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,2,0,0,0,0|1,0,0]=3 1919 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,2,0,0,0,0|1,0,0]=3 1920 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,2,0,0,0,0|1,0,0]=3 1921 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,2,0,0,0,0|1,0,0]=3 1922 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,2,0,0,0,0|1,0,1]=4 1923 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,2,0,0,0,0|1,0,0]=3 1924 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,2,0,0,0,0|1,0,0]=3 1925 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,2,0,0,0,0|1,0,0]=3 1926 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,2,0,0,0,0|1,0,0]=3 1927 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,2,0,0,0,0|1,0,1]=4 1928 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,2,0,0,0,0|1,0,1]=4 1929 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,2,0,0,0,0|2,0,0]=4 1930 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,2,0,0,0,0|2,0,0]=4 1931 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,2,0,0,0,0|1,0,1]=4 1932 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,2,0,0,0,0|1,0,1]=4 1933 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,2,0,0,0,0|1,0,0]=3 1934 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,2,0,0,0,0|1,0,0]=3 1935 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,2,0,0,0,0|1,0,0]=3 1936 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,2,0,0,0,0|0,0,0]=2 1937 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,2,0,0,0,0|1,0,0]=3 1938 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,2,0,0,0,0|1,0,0]=3 1939 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,2,0,0,0,0|1,0,0]=3 1940 B8R0.12 COCC(C)(C)[N+](=O)[O-] 34a_100000032158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1941 B8R0.12 COCC(C)(C)[N+](=O)[O-] 7a_100000032158_200000210301 [0,2,0,0,0,0|1,0,1]=4 1942 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,2,0,0,0,0|1,0,0]=3 1943 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,2,0,0,0,0|1,0,0]=3 1944 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,2,0,0,0,0|1,0,0]=3 1945 B8R0.14 CCNC(C)C(C)(C)O 269862a_100015525214_100000747739 [0,2,0,0,0,0|1,0,1]=4 1946 B8R0.14 CCN[C@@H](C)C(C)(C)O 2230a_100025708725_100000210202 [0,2,0,0,0,0|1,0,1]=4 1947 B8R0.15 C#CCN(CC)C(=O)C 11a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 1948 B8R0.15 C#CCN(CC)C(=O)C 1626a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 1949 B8R0.15 C#CCN(CC)C(=O)C 240690a_100000744766_100015343762 [0,2,0,0,0,0|2,0,0]=4 1950 B8R0.15 C#CCN(CC)C(=O)C 527a_100000744766_100103153847 [0,2,0,0,0,0|2,0,0]=4 1951 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [0,2,0,0,0,0|0,0,1]=3 1952 B8R0.15 C=C[C@H](NCF)C(=O)O 269956a_100016992060_100015361967 [0,2,0,0,0,0|0,0,2]=4 1953 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [0,2,0,0,0,0|1,0,0]=3 1954 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [0,2,0,0,0,0|1,0,0]=3 1955 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [0,2,0,0,0,0|1,0,0]=3 1956 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [0,2,0,0,0,0|1,0,0]=3 1957 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [0,2,0,0,0,0|1,0,0]=3 1958 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [0,2,0,0,0,0|1,0,0]=3 1959 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 1960 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [0,2,0,0,0,0|1,0,0]=3 1961 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 1962 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [0,2,0,0,0,0|1,0,0]=3 1963 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 1964 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 1965 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [0,2,0,0,0,0|2,0,0]=4 1966 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [0,2,0,0,0,0|2,0,0]=4 1967 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1968 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [0,2,0,0,0,0|1,0,0]=3 1969 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [0,2,0,0,0,0|0,0,0]=2 1970 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1971 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [0,2,0,0,0,0|1,0,0]=3 1972 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [0,2,0,0,0,0|0,0,0]=2 1973 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [0,2,0,0,0,0|2,0,0]=4 1974 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [0,2,0,0,0,0|2,0,0]=4 1975 B8R0.15 CCNC(C#N)C(=O)N 2230a_100000039599_100000210202 [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [0,2,0,0,0,0|1,0,0]=3 1977 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [0,2,0,0,0,0|1,0,0]=3 1978 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [0,2,0,0,0,0|1,0,0]=3 1979 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [0,2,0,0,0,0|0,0,0]=2 1980 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [0,2,0,0,0,0|1,0,1]=4 1981 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [0,2,0,0,0,0|1,0,1]=4 1982 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 1983 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [0,2,0,0,0,0|1,0,0]=3 1984 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [0,2,0,0,0,0|0,0,0]=2 1985 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [0,2,0,0,0,0|1,0,1]=4 1986 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [0,2,0,0,0,0|1,0,1]=4 1987 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [0,2,0,0,0,0|1,0,0]=3 1988 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [0,2,0,0,0,0|1,0,0]=3 1989 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [0,2,0,0,0,0|0,0,0]=2 1991 B8R0.15 CC[C@H](NCF)[C@@H](C)O 34a_100161114882_100015361967 [0,2,0,0,0,0|1,0,1]=4 1992 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [0,2,0,0,0,0|0,0,0]=2 1993 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [0,2,0,0,0,0|0,0,0]=2 1994 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [0,2,0,0,0,0|0,0,0]=2 1995 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [0,2,0,0,0,0|0,0,0]=2 1996 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [0,2,0,0,0,0|0,0,0]=2 1997 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [0,2,0,0,0,0|0,0,0]=2 1998 B8R0.15 NC(=O)[C@H](CO)NCF 34a_100000729942_100015361967 [0,2,0,0,0,0|2,0,0]=4 1999 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [0,2,0,0,0,0|1,0,0]=3 2000 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,2,0,0,0,0|0,0,2]=4 2001 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [0,2,0,0,0,0|2,0,0]=4 2002 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,2,0,0,0,0|2,0,0]=4 2003 B8R0.13 CC(C)(O[13CH3])C(=O)NN 34a_100000061348_200025704644 [0,2,0,0,0,0|2,0,0]=4 2004 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,2,0,0,0,0|1,0,0]=3 2005 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,2,0,0,0,0|1,0,0]=3 2009 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,2,0,0,0,0|1,0,0]=3 2011 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,2,0,0,0,0|1,0,0]=3 2012 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2013 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2014 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,2,0,0,0,0|1,0,0]=3 2015 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,2,0,0,0,0|1,0,0]=3 2016 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,2,0,0,0,0|1,0,0]=3 2017 B8R0.13 CCC(C)S(=O)(=O)NC 270084a_100102657272_100000685195 [0,2,0,0,0,0|1,0,1]=4 2018 B8R0.13 CCC(C)S(=O)(=O)NC 274078a_100102657272_100000685195 [0,2,0,0,0,0|1,0,1]=4 2019 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,2,0,0,0,0|2,0,0]=4 2020 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,2,0,0,0,0|2,0,0]=4 2021 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2022 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2023 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,2,0,0,0,0|2,0,0]=4 2024 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2026 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2027 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,2,0,0,0,0|2,0,0]=4 2028 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2029 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2030 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,2,0,0,0,0|2,0,0]=4 2031 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,2,0,0,0,0|2,0,0]=4 2032 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,2,0,0,0,0|2,0,0]=4 2033 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,2,0,0,0,0|2,0,0]=4 2034 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2035 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2036 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,2,0,0,0,0|2,0,0]=4 2037 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,2,0,0,0,0|2,0,0]=4 2038 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,2,0,0,0,0|2,0,0]=4 2039 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,2,0,0,0,0|2,0,0]=4 2040 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,2,0,0,0,0|2,0,0]=4 2041 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,2,0,0,0,0|2,0,0]=4 2042 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,2,0,0,0,0|1,0,0]=3 2043 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,2,0,0,0,0|1,0,0]=3 2044 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,2,0,0,0,0|1,0,0]=3 2045 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,2,0,0,0,0|2,0,0]=4 2046 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,2,0,0,0,0|2,0,0]=4 2047 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,2,0,0,0,0|1,0,0]=3 2048 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,2,0,0,0,0|1,0,0]=3 2049 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,2,0,0,0,0|1,0,0]=3 2050 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,2,0,0,0,0|1,0,0]=3 2051 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,2,0,0,0,0|1,0,0]=3 2052 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,2,0,0,0,0|1,0,0]=3 2053 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,2,0,0,0,0|1,0,0]=3 2054 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,2,0,0,0,0|1,0,0]=3 2055 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,2,0,0,0,0|1,0,0]=3 2056 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,2,0,0,0,0|1,0,0]=3 2057 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,2,0,0,0,0|1,0,0]=3 2058 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,2,0,0,0,0|1,0,0]=3 2059 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,2,0,0,0,0|1,0,0]=3 2060 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,2,0,0,0,0|2,0,0]=4 2063 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,2,0,0,0,0|2,0,0]=4 2064 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,2,0,0,0,0|2,0,0]=4 2065 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,2,0,0,0,0|2,0,0]=4 2066 B8R0.13 COC(C)(C)C(=O)NN 34a_100000061348_200000210301 [0,2,0,0,0,0|2,0,0]=4 2067 B8R0.20 C#CC(=O)C(CC)CC 1458a_100000211873_100000210505 [0,2,0,0,0,0|1,0,0]=3 2068 B8R0.20 C=CC(=O)C(CC)CC 1458a_100000185746_100000210505 [0,2,0,0,0,0|1,0,0]=3 2069 B8R0.20 C=CC(=O)N(CC)CC 1626a_100000724800_100000185746 [0,2,0,0,0,0|2,0,0]=4 2070 B8R0.20 C=CC(=O)N(CC)CC 240690a_100000724800_200121576911 [0,2,0,0,0,0|2,0,0]=4 2071 B8R0.20 CCC(=O)C(CC)CC 1458a_100000210414_100000210505 [0,2,0,0,0,0|1,0,0]=3 2072 B8R0.20 CCC(=O)C(CC)CC 1458a_100000211163_100000210202 [0,2,0,0,0,0|1,0,0]=3 2073 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [0,2,0,0,0,0|1,0,0]=3 2074 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 2075 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [0,2,0,0,0,0|1,0,0]=3 2076 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 2077 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [0,2,0,0,0,0|1,0,0]=3 2078 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [0,2,0,0,0,0|2,0,0]=4 2079 B8R0.20 CCC(=O)N(CC)CC 11a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2080 B8R0.20 CCC(=O)N(CC)CC 1626a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2081 B8R0.20 CCC(=O)N(CC)CC 240690a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2082 B8R0.20 CCC(=O)N(CC)CC 527a_100000724800_100000210414 [0,2,0,0,0,0|2,0,0]=4 2083 B8R0.20 CCC(CC)C(=O)CF 1458a_100000211163_100015361967 [0,2,0,0,0,0|1,0,0]=3 2084 B8R0.20 CCC(CC)C(=O)CO 1458a_100000210174_100000210505 [0,2,0,0,0,0|0,0,0]=2 2085 B8R0.20 CCC(CC)C(=O)NC 11a_106832991635_100000211163 [0,2,0,0,0,0|1,0,0]=3 2086 B8R0.20 CCC(CC)C(=O)NC 1626a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2087 B8R0.20 CCC(CC)C(=O)NC 240690a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2088 B8R0.20 CCC(CC)C(=O)NC 527a_100102657272_100000211163 [0,2,0,0,0,0|1,0,0]=3 2089 B8R0.20 CCC(NC)C(=O)OC 2230a_106832991635_100000235869 [0,2,0,0,0,0|0,0,0]=2 2090 B8R0.20 CCC(NC)C(=O)OC 34a_100102657272_100000235869 [0,2,0,0,0,0|0,0,0]=2 2091 B8R0.20 CCC(NC)C(=O)OC 7a_106832991635_100000742303 [0,2,0,0,0,0|0,0,0]=2 2092 B8R0.20 CCC(OC)C(=O)CF 1458a_100000747056_100015361967 [0,2,0,0,0,0|1,0,0]=3 2093 B8R0.20 CCC(OC)C(=O)NC 11a_106832991635_100000747056 [0,2,0,0,0,0|1,0,0]=3 2094 B8R0.20 CCC(OC)C(=O)NC 1626a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2095 B8R0.20 CCC(OC)C(=O)NC 240690a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2096 B8R0.20 CCC(OC)C(=O)NC 527a_100102657272_100000747056 [0,2,0,0,0,0|1,0,0]=3 2097 B8R0.20 CCC(OC)C(=O)OC 34a_100000695916_200000210301 [0,2,0,0,0,0|0,0,0]=2 2098 B8R0.20 CCC(OC)C(=O)OC 34a_100138415774_100000235869 [0,2,0,0,0,0|0,0,0]=2 2099 B8R0.20 CCC(OC)C(=O)OC 7a_100000695916_200000210301 [0,2,0,0,0,0|0,0,0]=2 2100 B8R0.20 CCC(O[13CH3])C(=O)OC 34a_100000695916_200025704644 [0,2,0,0,0,0|0,0,0]=2 2101 B8R0.20 CCC(O[13CH3])C(=O)OC 7a_100000695916_200025704644 [0,2,0,0,0,0|0,0,0]=2 2102 B8R0.20 CCC(SC)C(=O)OC 62a_100000235869_200000210301 [0,2,0,0,0,0|0,0,0]=2 2103 B8R0.20 CCC(SC)C(=O)OC 62a_200000210301_100000235869 [0,2,0,0,0,0|0,0,0]=2 2104 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_100000235869_200025704644 [0,2,0,0,0,0|0,0,0]=2 2105 B8R0.20 CCC(S[13CH3])C(=O)OC 62a_200025704644_100000235869 [0,2,0,0,0,0|0,0,0]=2 2106 B8R0.20 CCN(CC)C(=O)CO 240690a_100000724800_100000210174 [0,2,0,0,0,0|1,0,0]=3 2107 B8R0.20 CCN(CC)C(=O)CO 527a_100000724800_100000210174 [0,2,0,0,0,0|1,0,0]=3 2108 B8R0.20 CCN(CC)C(=O)NC 2708a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2109 B8R0.20 CCN(CC)C(=O)NC 273464a_100102657272_100000724800 [0,2,0,0,0,0|2,0,0]=4 2110 B8R0.20 CC[C@H](C)[C@@H](CO)NC 2230a_100011827617_200000210301 [0,2,0,0,0,0|1,0,1]=4 2111 B8R0.20 CC[C@H](C)[C@@H](CO)N[13CH3] 2230a_100011827617_200025704644 [0,2,0,0,0,0|1,0,1]=4 2112 B8R0.20 CC[C@H](NC)C(=O)NC 2230a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2113 B8R0.20 CC[C@H](NC)C(=O)NC 34a_106657271573_200000210301 [0,2,0,0,0,0|1,0,0]=3 2114 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 2230a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2115 B8R0.20 CC[C@H](N[13CH3])C(=O)NC 34a_106657271573_200025704644 [0,2,0,0,0,0|1,0,0]=3 2116 B8R0.20 CNC(=O)C(OC)OC 11a_106832991635_100000046285 [0,2,0,0,0,0|2,0,0]=4 2117 B8R0.20 CNC(=O)C(OC)OC 240690a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 2118 B8R0.20 CNC(=O)C(OC)OC 527a_100102657272_100000046285 [0,2,0,0,0,0|2,0,0]=4 2119 B8R0.20 CNC(C=O)C(=O)OC 34a_100102657272_100000046368 [0,2,0,0,0,0|1,0,1]=4 2120 B8R0.20 CNC(CO)C(=O)OC 34a_100102657272_100012276630 [0,2,0,0,0,0|1,0,0]=3 2121 B8R0.20 CNC(OC)C(=O)OC 34a_100102657272_100000101307 [0,2,0,0,0,0|1,0,0]=3 2122 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [0,2,0,0,0,0|1,0,1]=4 2123 B8R0.20 COC(=O)C(C=O)SC 62a_100000046368_200000210301 [0,2,0,0,0,0|1,0,1]=4 2124 B8R0.20 COC(=O)C(C=O)SC 62a_200000210301_100000046368 [0,2,0,0,0,0|1,0,1]=4 2125 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_100000046368_200025704644 [0,2,0,0,0,0|1,0,1]=4 2126 B8R0.20 COC(=O)C(C=O)S[13CH3] 62a_200025704644_100000046368 [0,2,0,0,0,0|1,0,1]=4 2127 B8R0.20 COC(=O)C(CN)OC 34a_100000695228_200000210301 [0,2,0,0,0,0|1,0,0]=3 2128 B8R0.20 COC(=O)C(CN)O[13CH3] 34a_100000695228_200025704644 [0,2,0,0,0,0|1,0,0]=3 2129 B8R0.20 COC(=O)C(CO)OC 34a_100138415774_100012276630 [0,2,0,0,0,0|1,0,0]=3 2130 B8R0.20 COC(=O)C(CO)SC 62a_100012276630_200000210301 [0,2,0,0,0,0|1,0,0]=3 2131 B8R0.20 COC(=O)C(CO)SC 62a_200000210301_100012276630 [0,2,0,0,0,0|1,0,0]=3 2132 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_100012276630_200025704644 [0,2,0,0,0,0|1,0,0]=3 2133 B8R0.20 COC(=O)C(CO)S[13CH3] 62a_200025704644_100012276630 [0,2,0,0,0,0|1,0,0]=3 2134 B8R0.20 COC(=O)C(OC)OC 34a_100000036821_200000210301 [0,2,0,0,0,0|1,0,0]=3 2135 B8R0.20 COC(=O)C(OC)OC 34a_100138415774_100000101307 [0,2,0,0,0,0|1,0,0]=3 2136 B8R0.20 COC(=O)C(OC)O[13CH3] 34a_100000036821_200025704644 [0,2,0,0,0,0|1,0,0]=3 2137 B8R0.20 COC(=O)C(OC)SC 62a_100000101307_200000210301 [0,2,0,0,0,0|1,0,0]=3 2138 B8R0.20 COC(=O)C(OC)SC 62a_200000210301_100000101307 [0,2,0,0,0,0|1,0,0]=3 2139 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_100000101307_200025704644 [0,2,0,0,0,0|1,0,0]=3 2140 B8R0.20 COC(=O)C(OC)S[13CH3] 62a_200025704644_100000101307 [0,2,0,0,0,0|1,0,0]=3 2141 B8R0.20 COC(OC)C(=O)CF 1458a_100000046285_100015361967 [0,2,0,0,0,0|2,0,0]=4 2142 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,2,0,0,0,0|2,0,0]=4 2143 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,2,0,0,0,0|2,0,0]=4 2144 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,2,0,0,0,0|1,0,0]=3 2145 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,2,0,0,0,0|1,0,0]=3 2146 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,2,0,0,0,0|1,0,0]=3 2147 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,2,0,0,0,0|0,0,0]=2 2148 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,2,0,0,0,0|0,0,0]=2 2149 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,2,0,0,0,0|2,0,0]=4 2150 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,2,0,0,0,0|2,0,0]=4 2151 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2152 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,2,0,0,0,0|2,0,0]=4 2153 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,2,0,0,0,0|2,0,0]=4 2154 B8R0.27 CC(=O)C(C)C(F)(F)F 1458a_100000137572_200000210301 [0,2,0,0,0,0|2,0,0]=4 2155 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2156 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2157 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,2,0,0,0,0|2,0,0]=4 2158 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,2,0,0,0,0|2,0,0]=4 2159 B8R0.27 CC(C(=O)[13CH3])C(F)(F)F 1458a_100000137572_200025704644 [0,2,0,0,0,0|2,0,0]=4 2160 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,2,0,0,0,0|2,0,0]=4 2161 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,2,0,0,0,0|1,0,1]=4 2162 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,2,0,0,0,0|1,0,1]=4 2163 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,2,0,0,0,0|1,0,0]=3 2164 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,2,0,0,0,0|1,0,0]=3 2165 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,2,0,0,0,0|0,0,0]=2 2166 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,2,0,0,0,0|0,0,0]=2 2167 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,2,0,0,0,0|1,0,0]=3 2168 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,2,0,0,0,0|1,0,0]=3 2169 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,2,0,0,0,0|1,0,0]=3 2170 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,2,0,0,0,0|1,0,0]=3 2171 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,2,0,0,0,0|1,0,0]=3 2172 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2173 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2174 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,2,0,0,0,0|2,0,0]=4 2175 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,2,0,0,0,0|2,0,0]=4 2176 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,2,0,0,0,0|1,0,0]=3 2177 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,2,0,0,0,0|1,0,0]=3 2178 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,2,0,0,0,0|1,0,0]=3 2179 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,2,0,0,0,0|1,0,0]=3 2180 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,2,0,0,0,0|1,0,0]=3 2181 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,2,0,0,0,0|1,0,0]=3 2182 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,2,0,0,0,0|1,0,0]=3 2183 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,2,0,0,0,0|1,0,0]=3 2184 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,2,0,0,0,0|0,0,0]=2 2185 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,2,0,0,0,0|0,0,0]=2 2186 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,2,0,0,0,0|1,0,0]=3 2187 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,2,0,0,0,0|1,0,0]=3 2188 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,2,0,0,0,0|1,0,1]=4 2189 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,2,0,0,0,0|1,0,1]=4 2190 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,2,0,0,0,0|1,0,0]=3 2191 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,2,0,0,0,0|1,0,0]=3 2192 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,2,0,0,0,0|1,0,0]=3 2193 B6R1.11 CC(=O)C1CC1 1458a_100000210395_200000210301 [1,0,0,1,0,0|1,0,0]=3 2194 B6R1.11 CC(=O)C1CO1 1458a_100000701028_200000210301 [1,0,0,1,0,0|2,0,0]=4 2195 B6R1.11 [13CH3]C(=O)C1CC1 1458a_100000210395_200025704644 [1,0,0,1,0,0|1,0,0]=3 2196 B6R1.11 [13CH3]C(=O)C1CO1 1458a_100000701028_200025704644 [1,0,0,1,0,0|2,0,0]=4 2197 B6R1.4 CC1CCN1C 269982a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 2198 B6R1.4 CC1CCN1C 34a_100000755817_200000210301 [1,0,0,1,0,0|2,0,0]=4 2199 B6R1.4 CC1CCN1[13CH3] 269982a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 2200 B6R1.4 CC1CCN1[13CH3] 34a_100000755817_200025704644 [1,0,0,1,0,0|2,0,0]=4 2201 B6R1.6 CNC1CCC1 2230a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 2202 B6R1.6 CNC1CCC1 270004a_106832991635_100000241760 [1,0,0,1,0,0|2,0,0]=4 2203 B6R1.6 CNC1CCC1 34a_100000749019_200000210301 [1,0,0,1,0,0|2,0,0]=4 2204 B6R1.6 CNC1CCC1 34a_100102657272_100000749161 [1,0,0,1,0,0|2,0,0]=4 2205 B6R1.6 CNC1COC1 2230a_100016991112_200000210301 [1,0,0,1,0,0|1,0,1]=4 2206 B6R1.6 CNC1COC1 34a_100102657272_100009818527 [1,0,0,1,0,0|1,0,1]=4 2207 B6R1.6 CNC1COC1 7a_106832991635_100009818527 [1,0,0,1,0,0|1,0,1]=4 2208 B6R1.6 COC1CCC1 34a_100000748187_200000210301 [1,0,0,1,0,0|2,0,0]=4 2209 B6R1.6 COC1CCC1 34a_100138415774_100000749161 [1,0,0,1,0,0|2,0,0]=4 2210 B6R1.6 COC1COC1 34a_100138415774_100009818527 [1,0,0,1,0,0|1,0,1]=4 2211 B6R1.6 CSC1CCC1 62a_200000210301_100000749161 [1,0,0,1,0,0|2,0,0]=4 2212 B6R1.6 CSC1COC1 62a_200000210301_100009818527 [1,0,0,1,0,0|1,0,1]=4 2213 B6R1.6 [13CH3]NC1CCC1 2230a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 2214 B6R1.6 [13CH3]NC1CCC1 34a_100000749019_200025704644 [1,0,0,1,0,0|2,0,0]=4 2215 B6R1.6 [13CH3]NC1COC1 2230a_100016991112_200025704644 [1,0,0,1,0,0|1,0,1]=4 2216 B6R1.6 [13CH3]OC1CCC1 34a_100000748187_200025704644 [1,0,0,1,0,0|2,0,0]=4 2217 B6R1.6 [13CH3]SC1CCC1 62a_200025704644_100000749161 [1,0,0,1,0,0|2,0,0]=4 2218 B6R1.6 [13CH3]SC1COC1 62a_200025704644_100009818527 [1,0,0,1,0,0|1,0,1]=4 2219 B6R1.7 CC1(CC1)N[13CH3] 2230a_100000757604_200025704644 [1,0,0,1,0,0|2,0,0]=4 2220 B6R1.7 CC1(CC1)O[13CH3] 7a_100011725673_200025704644 [1,0,0,1,0,0|2,0,0]=4 2221 B6R1.7 CNC1(CC1)C 2230a_100000757604_200000210301 [1,0,0,1,0,0|2,0,0]=4 2222 B6R1.7 COC1(CC1)C 7a_100011725673_200000210301 [1,0,0,1,0,0|2,0,0]=4 2223 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [0,0,0,1,0,1|2,0,0]=4 2224 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [0,0,0,1,0,1|2,0,0]=4 2225 B8R1.1 CNC1COC(=O)O1 34a_100102657272_100000032252 [0,0,0,1,0,1|1,0,0]=3 2226 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [0,0,0,1,0,1|2,0,0]=4 2227 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [0,0,0,1,0,1|2,0,0]=4 2228 B8R1.1 COC1COC(=O)O1 34a_100138415774_100000032252 [0,0,0,1,0,1|1,0,0]=3 2229 B8R1.1 CSC1COC(=O)O1 62a_200000210301_100000032252 [0,0,0,1,0,1|1,0,0]=3 2230 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [0,0,0,1,0,1|2,0,0]=4 2231 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [0,0,0,1,0,1|2,0,0]=4 2232 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [0,0,0,1,0,1|2,0,0]=4 2233 B8R1.1 [13CH3]SC1COC(=O)O1 62a_200025704644_100000032252 [0,0,0,1,0,1|1,0,0]=3 2234 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [0,0,0,1,0,1|2,0,0]=4 2235 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [0,0,0,1,0,1|1,0,0]=3 2236 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [0,0,0,1,0,1|2,0,0]=4 2237 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [0,0,0,1,0,1|1,0,0]=3 2238 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [0,0,0,1,0,1|2,0,0]=4 2239 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [0,0,0,1,0,1|2,0,0]=4 2240 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2241 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2242 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [0,0,0,1,0,1|2,0,0]=4 2243 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [0,0,0,1,0,1|2,0,0]=4 2244 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2245 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,1|1,0,0]=3 2246 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,1|1,0,0]=3 2247 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,1|1,0,0]=3 2248 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,1|1,0,0]=3 2249 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [0,0,0,1,0,1|1,0,1]=4 2250 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [0,0,0,1,0,1|1,0,0]=3 2251 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [0,0,0,1,0,1|1,0,0]=3 2252 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [0,0,0,1,0,1|2,0,0]=4 2253 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [0,0,0,1,0,1|2,0,0]=4 2254 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [0,0,0,1,0,1|2,0,0]=4 2255 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2256 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2257 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [0,0,0,1,0,1|1,0,0]=3 2258 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [0,0,0,1,0,1|1,0,0]=3 2259 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2260 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2261 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [0,0,0,1,0,1|2,0,0]=4 2262 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [0,0,0,1,0,1|2,0,0]=4 2263 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2264 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2265 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [0,0,0,1,0,1|2,0,0]=4 2266 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [0,0,0,1,0,1|2,0,0]=4 2267 B8R1.34 NC(=O)CN1CCC1 269982a_100000754969_100000187820 [0,0,0,1,0,1|2,0,0]=4 2268 B8R1.34 O=C([O-])CN1CCC1 269982a_100000754969_100020667443 [0,0,0,1,0,1|1,0,1]=4 2269 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [0,0,0,1,0,1|1,0,1]=4 2270 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [0,0,0,1,0,1|1,0,0]=3 2271 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [0,0,0,1,0,1|2,0,0]=4 2272 B8R1.42 CC(=O)CC1(CC1)C 1458a_100000112800_200000210301 [0,0,0,1,0,1|1,0,0]=3 2273 B8R1.42 CC(=O)CC1(CO1)C 1458a_100000070787_100000760498 [0,0,0,1,0,1|2,0,0]=4 2274 B8R1.42 CC(=O)NC1(CC1)C 11a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2275 B8R1.42 CC(=O)NC1(CC1)C 1626a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2276 B8R1.42 CC(=O)NC1(CC1)C 240690a_100000757604_100015343762 [0,0,0,1,0,1|1,0,0]=3 2277 B8R1.42 CC(=O)NC1(CC1)C 527a_100000757604_100103153847 [0,0,0,1,0,1|1,0,0]=3 2278 B8R1.42 CC1(CC1)CC(=O)[13CH3] 1458a_100000112800_200025704644 [0,0,0,1,0,1|1,0,0]=3 2279 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [0,0,0,1,0,1|1,0,0]=3 2280 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [0,0,0,1,0,1|1,0,0]=3 2281 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [0,1,0,1,0,0|1,0,1]=4 2282 B8R1.7 CC(=O)C1CC=CC1 1458a_100000759439_200000210301 [0,1,0,1,0,0|1,0,1]=4 2283 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [0,1,0,1,0,0|1,0,0]=3 2284 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [0,1,0,1,0,0|1,0,0]=3 2285 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [0,1,0,1,0,0|1,0,0]=3 2286 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [0,1,0,1,0,0|1,0,0]=3 2287 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [0,1,0,1,0,0|1,0,0]=3 2288 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [0,1,0,1,0,0|2,0,0]=4 2289 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [0,1,0,1,0,0|2,0,0]=4 2290 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 2291 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [0,1,0,1,0,0|2,0,0]=4 2292 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [0,1,0,1,0,0|2,0,0]=4 2293 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [0,1,0,1,0,0|1,0,0]=3 2294 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [0,1,0,1,0,0|1,0,1]=4 2295 B8R1.7 [13CH3]C(=O)C1CC=CC1 1458a_100000759439_200025704644 [0,1,0,1,0,0|1,0,1]=4 2296 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [0,1,0,1,0,0|1,0,0]=3 2297 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [0,1,0,1,0,0|1,0,0]=3 2298 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [0,1,0,1,0,0|1,0,0]=3 2299 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [0,1,0,1,0,0|1,0,0]=3 2300 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [0,1,0,1,0,0|1,0,0]=3 2301 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [0,1,0,1,0,0|1,0,0]=3 2302 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [0,1,0,1,0,0|1,0,0]=3 2303 B8R1.13 O=C1CCC1SCF 62a_100009892977_100015361967 [0,1,0,1,0,0|2,0,0]=4 2304 B8R1.13 O=C1CCC1SCF 62a_100015361967_100009892977 [0,1,0,1,0,0|2,0,0]=4 2305 B8R1.23 C=C1CC(C1)C(=O)C 1458a_100000065620_200000210301 [0,1,0,1,0,0|1,0,1]=4 2306 B8R1.23 C=C1CC(C1)C(=O)[13CH3] 1458a_100000065620_200025704644 [0,1,0,1,0,0|1,0,1]=4 2307 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [0,1,0,1,0,0|1,0,0]=3 2308 B8R1.23 CC(=O)C1CC(C1)F 1458a_100000062598_200000210301 [0,1,0,1,0,0|1,0,0]=3 2309 B8R1.23 CC(=O)C1CN(C1)C 1458a_100012002723_200000210301 [0,1,0,1,0,0|1,0,0]=3 2310 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2311 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [0,1,0,1,0,0|2,0,0]=4 2312 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [0,1,0,1,0,0|2,0,0]=4 2313 B8R1.23 CC(=O)N1CC(C1)F 11a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2314 B8R1.23 CC(=O)N1CC(C1)F 240690a_100000690557_100015343762 [0,1,0,1,0,0|2,0,0]=4 2315 B8R1.23 CC(=O)N1CC(C1)F 527a_100000690557_100103153847 [0,1,0,1,0,0|2,0,0]=4 2316 B8R1.23 CC(=O)N1CC(C1)O 11a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2317 B8R1.23 CC(=O)N1CC(C1)O 240690a_100000749847_100015343762 [0,1,0,1,0,0|2,0,0]=4 2318 B8R1.23 CC(=O)N1CC(C1)O 527a_100000749847_100103153847 [0,1,0,1,0,0|2,0,0]=4 2319 B8R1.23 CC(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200000210301 [0,1,0,1,0,0|1,0,0]=3 2320 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [0,1,0,1,0,0|1,0,0]=3 2321 B8R1.23 CN1CC(C1)C(=O)N 34a_100025753142_200000210301 [0,1,0,1,0,0|1,0,0]=3 2322 B8R1.23 CN1CC(C1)C(=O)[13CH3] 1458a_100012002723_200025704644 [0,1,0,1,0,0|1,0,0]=3 2323 B8R1.23 [13CH3]C(=O)C1CC(C1)F 1458a_100000062598_200025704644 [0,1,0,1,0,0|1,0,0]=3 2324 B8R1.23 [13CH3]C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_200025704644 [0,1,0,1,0,0|1,0,0]=3 2325 B8R1.23 [13CH3]N1CC(C1)C(=O)N 34a_100025753142_200025704644 [0,1,0,1,0,0|1,0,0]=3 2326 B8R1.37 CCNC(C)C1CO1 270004a_100015525214_100000031964 [0,1,0,1,0,0|1,0,1]=4 2327 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 2230a_206633788156_100000210202 [0,1,0,1,0,0|1,0,1]=4 2328 B8R1.46 CCN1C[C@@H]([C@@H]1C)O 269982a_206633788156_100000204670 [0,1,0,1,0,0|1,0,1]=4 2329 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2330 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2331 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,1,0,1,0,0|2,0,0]=4 2332 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,1,0,1,0,0|2,0,0]=4 2333 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,1,0,1,0,0|1,0,0]=3 2334 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,1,0,1,0,0|1,0,0]=3 2335 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,1,0,1,0,0|1,0,0]=3 2336 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,1,0,1,0,0|2,0,0]=4 2337 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,1,0,1,0,0|1,0,0]=3 2338 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,1,0,1,0,0|1,0,0]=3 2339 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,1,0,1,0,0|1,0,0]=3 2340 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,1,0,1,0,0|2,0,0]=4 2341 B8R1.11 CC1CCCC1O[13CH3] 34a_100011216460_200025704644 [0,1,0,1,0,0|1,0,1]=4 2342 B8R1.11 CC1CCCC1O[13CH3] 7a_100011216460_200025704644 [0,1,0,1,0,0|1,0,1]=4 2343 B8R1.11 CNC1CCCC1=O 2230a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2344 B8R1.11 CNC1CCCC1=O 34a_100102657272_100000709159 [0,1,0,1,0,0|1,0,0]=3 2345 B8R1.11 CNC1CCCC1=O 7a_106832991635_100000211823 [0,1,0,1,0,0|1,0,0]=3 2346 B8R1.11 CNC1CCNC1=O 2230a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2347 B8R1.11 CNC1CCNC1=O 34a_100016995588_200000210301 [0,1,0,1,0,0|1,0,0]=3 2348 B8R1.11 CNC1CCOC1=O 2230a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 2349 B8R1.11 CNC1CCOC1=O 34a_100102657272_100000211211 [0,1,0,1,0,0|0,0,0]=2 2350 B8R1.11 CNC1CCOC1=O 7a_106832991635_100000211211 [0,1,0,1,0,0|0,0,0]=2 2351 B8R1.11 CNC1CCOC1C 270004a_106832991635_100000691750 [0,1,0,1,0,0|1,0,1]=4 2352 B8R1.11 CN[C@@H]1CONC1=O 2230a_100000765999_200000210301 [0,1,0,1,0,0|1,0,0]=3 2353 B8R1.11 CN[C@@H]1CONC1=O 34a_100000765999_200000210301 [0,1,0,1,0,0|1,0,0]=3 2354 B8R1.11 COC1CCCC1=O 34a_100138415774_100000709159 [0,1,0,1,0,0|1,0,0]=3 2355 B8R1.11 COC1CCCC1=O 34a_200000719330_200000210301 [0,1,0,1,0,0|1,0,0]=3 2356 B8R1.11 COC1CCCC1C 34a_100011216460_200000210301 [0,1,0,1,0,0|1,0,1]=4 2357 B8R1.11 COC1CCCC1C 7a_100011216460_200000210301 [0,1,0,1,0,0|1,0,1]=4 2358 B8R1.11 COC1CCOC1=O 34a_100138415774_100000211211 [0,1,0,1,0,0|0,0,0]=2 2359 B8R1.11 CO[C@H]1CCNC1=O 34a_100000688343_200000210301 [0,1,0,1,0,0|1,0,0]=3 2360 B8R1.11 CSC1CCCC1=O 62a_100000211823_200000210301 [0,1,0,1,0,0|1,0,0]=3 2361 B8R1.11 CSC1CCCC1=O 62a_200000210301_100000211823 [0,1,0,1,0,0|1,0,0]=3 2362 B8R1.11 CSC1CCOC1=O 62a_100000211211_200000210301 [0,1,0,1,0,0|0,0,0]=2 2363 B8R1.11 CSC1CCOC1=O 62a_200000210301_100000211211 [0,1,0,1,0,0|0,0,0]=2 2364 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200000210301_200016002552 [0,1,0,1,0,0|1,0,1]=4 2365 B8R1.11 CS[C@@H]1CCC[C@H]1O 62a_200016002552_200000210301 [0,1,0,1,0,0|1,0,1]=4 2366 B8R1.11 [13CH3]NC1CCNC1=O 2230a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2367 B8R1.11 [13CH3]NC1CCNC1=O 34a_100016995588_200025704644 [0,1,0,1,0,0|1,0,0]=3 2368 B8R1.11 [13CH3]N[C@@H]1CONC1=O 2230a_100000765999_200025704644 [0,1,0,1,0,0|1,0,0]=3 2369 B8R1.11 [13CH3]N[C@@H]1CONC1=O 34a_100000765999_200025704644 [0,1,0,1,0,0|1,0,0]=3 2370 B8R1.11 [13CH3]OC1CCCC1=O 34a_200000719330_200025704644 [0,1,0,1,0,0|1,0,0]=3 2371 B8R1.11 [13CH3]O[C@H]1CCNC1=O 34a_100000688343_200025704644 [0,1,0,1,0,0|1,0,0]=3 2372 B8R1.11 [13CH3]SC1CCCC1=O 62a_100000211823_200025704644 [0,1,0,1,0,0|1,0,0]=3 2373 B8R1.11 [13CH3]SC1CCCC1=O 62a_200025704644_100000211823 [0,1,0,1,0,0|1,0,0]=3 2374 B8R1.11 [13CH3]SC1CCOC1=O 62a_100000211211_200025704644 [0,1,0,1,0,0|0,0,0]=2 2375 B8R1.11 [13CH3]SC1CCOC1=O 62a_200025704644_100000211211 [0,1,0,1,0,0|0,0,0]=2 2376 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200016002552_200025704644 [0,1,0,1,0,0|1,0,1]=4 2377 B8R1.11 [13CH3]S[C@@H]1CCC[C@H]1O 62a_200025704644_200016002552 [0,1,0,1,0,0|1,0,1]=4 2378 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [0,1,0,1,0,0|1,0,0]=3 2379 B8R1.38 C#CC(=O)C1COC1 1458a_100000211873_100000687716 [0,1,0,1,0,0|2,0,0]=4 2380 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [0,1,0,1,0,0|1,0,0]=3 2381 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [0,1,0,1,0,0|2,0,0]=4 2382 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [0,1,0,1,0,0|2,0,0]=4 2383 B8R1.38 CC(O[13CH3])C1CCC1 34a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 2384 B8R1.38 CC(O[13CH3])C1CCC1 7a_100000766398_200025704644 [0,1,0,1,0,0|1,0,1]=4 2385 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [0,1,0,1,0,0|1,0,0]=3 2386 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [0,1,0,1,0,0|1,0,0]=3 2387 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [0,1,0,1,0,0|2,0,0]=4 2388 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [0,1,0,1,0,0|2,0,0]=4 2389 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [0,1,0,1,0,0|2,0,0]=4 2390 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2391 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2392 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [0,1,0,1,0,0|2,0,0]=4 2393 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [0,1,0,1,0,0|1,0,0]=3 2394 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2395 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2396 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [0,1,0,1,0,0|1,0,0]=3 2397 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [0,1,0,1,0,0|2,0,0]=4 2398 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2399 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2400 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [0,1,0,1,0,0|2,0,0]=4 2401 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [0,1,0,1,0,0|2,0,0]=4 2402 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2403 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2404 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [0,1,0,1,0,0|2,0,0]=4 2405 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2406 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [0,1,0,1,0,0|2,0,0]=4 2407 B8R1.38 COC(C)C1CCC1 34a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 2408 B8R1.38 COC(C)C1CCC1 7a_100000766398_200000210301 [0,1,0,1,0,0|1,0,1]=4 2409 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [0,1,0,1,0,0|1,0,0]=3 2410 B8R1.38 O=C(CF)C1CCO1 1458a_100000089072_100015361967 [0,1,0,1,0,0|2,0,0]=4 2411 B8R1.38 O=C(CF)C1COC1 1458a_100000758290_100015361967 [0,1,0,1,0,0|2,0,0]=4 2412 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [0,1,0,1,0,0|0,0,0]=2 2413 B8R1.38 O=C(CO)C1COC1 1458a_100000210174_100000687716 [0,1,0,1,0,0|1,0,0]=3 2414 B8R1.38 O=C(CO)N1CCC1 240690a_100000754969_100000210174 [0,1,0,1,0,0|1,0,0]=3 2415 B8R1.38 O=C(CO)N1CCC1 527a_100000754969_100000210174 [0,1,0,1,0,0|1,0,0]=3 2416 B8R1.39 CC1(CC1)C(=O)CF 1458a_100000756474_100015361967 [0,1,0,1,0,0|1,0,0]=3 2417 B8R1.39 CCC(=O)C1(CC1)C 1458a_100000756474_100000210202 [0,1,0,1,0,0|1,0,0]=3 2418 B8R1.39 CCC(=O)C1(CC1)F 1458a_100000055089_100000210202 [0,1,0,1,0,0|2,0,0]=4 2419 B8R1.39 CCC(=O)C1(CC1)O 1458a_100000241761_100000210202 [0,1,0,1,0,0|2,0,0]=4 2420 B8R1.39 CNC(=O)C1(CC1)C 11a_106832991635_100000756474 [0,1,0,1,0,0|1,0,0]=3 2421 B8R1.39 CNC(=O)C1(CC1)C 1626a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2422 B8R1.39 CNC(=O)C1(CC1)C 240690a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2423 B8R1.39 CNC(=O)C1(CC1)C 527a_100102657272_100000756474 [0,1,0,1,0,0|1,0,0]=3 2424 B8R1.39 CNC(=O)C1(CC1)F 11a_106832991635_100000055089 [0,1,0,1,0,0|2,0,0]=4 2425 B8R1.39 CNC(=O)C1(CC1)F 1626a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2426 B8R1.39 CNC(=O)C1(CC1)F 240690a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2427 B8R1.39 CNC(=O)C1(CC1)F 527a_100102657272_100000055089 [0,1,0,1,0,0|2,0,0]=4 2428 B8R1.39 CNC(=O)C1(CC1)O 240690a_100102657272_100000241761 [0,1,0,1,0,0|2,0,0]=4 2429 B8R1.39 O=C(CF)C1(CC1)F 1458a_100000055089_100015361967 [0,1,0,1,0,0|2,0,0]=4 2430 B8R1.39 O=C(CF)C1(CC1)O 1458a_100000241761_100015361967 [0,1,0,1,0,0|2,0,0]=4 2431 B8R1.63 C#CC1(CC1)C(=O)C 1458a_100000139144_200000210301 [0,1,0,1,0,0|1,0,1]=4 2432 B8R1.63 C#CC1(CC1)C(=O)[13CH3] 1458a_100000139144_200025704644 [0,1,0,1,0,0|1,0,1]=4 2433 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000070787_100009889376 [0,1,0,1,0,0|1,0,1]=4 2434 B8R1.63 CC(=O)C1(CC1)C#N 1458a_100000691320_200000210301 [0,1,0,1,0,0|1,0,1]=4 2435 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,1,0,1,0,0|1,0,0]=3 2436 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,1,0,1,0,0|1,0,0]=3 2437 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,1,0,1,0,0|1,0,0]=3 2438 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,1,0,1,0,0|1,0,0]=3 2439 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,1,0,1,0,0|1,0,0]=3 2440 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,1,0,1,0,0|1,0,0]=3 2441 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,1,0,1,0,0|0,0,0]=2 2442 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,1,0,1,0,0|1,0,0]=3 2443 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,1,0,1,0,0|1,0,0]=3 2444 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,1,0,1,0,0|1,0,0]=3 2445 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,1,0,1,0,0|1,0,0]=3 2446 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,1,0,1,0,0|1,0,0]=3 2447 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,1,0,1,0,0|1,0,0]=3 2448 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,1,0,1,0,0|1,0,0]=3 2449 B8R1.63 [13CH3]C(=O)C1(CC1)C#N 1458a_100000691320_200025704644 [0,1,0,1,0,0|1,0,1]=4 2450 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,1,0,1,0,0|1,0,0]=3 2451 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,1,0,1,0,0|1,0,0]=3 2452 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,1,0,1,0,0|0,0,0]=2 2453 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,1,0,1,0,0|1,0,0]=3 2454 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,1,0,1,0,0|1,0,0]=3 2455 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,1,0,1,0,0|2,0,0]=4 2456 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,1,0,1,0,0|1,0,0]=3 2457 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,1,0,1,0,0|1,0,0]=3 2458 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,1,0,1,0,0|2,0,0]=4 2459 B8R0.9 C#CC(C)NCC(=O)O 269956a_100016091260_200000035995 [0,0,0,0,0,2|0,0,2]=4 2460 B8R0.9 C=C(C)CNC(C)CC 2230a_100000209981_100000748629 [0,0,0,0,0,2|2,0,0]=4 2461 B8R0.9 C=C(C)COC(C)CC 34a_100000210245_100011215416 [0,0,0,0,0,2|2,0,0]=4 2462 B8R0.9 C=C(C)COC(C)CC 7a_100000210228_100000748629 [0,0,0,0,0,2|2,0,0]=4 2463 B8R0.9 C=C(C)CSC(C)CC 62a_100000748629_100000758301 [0,0,0,0,0,2|2,0,0]=4 2464 B8R0.9 C=C(C)CSC(C)CC 62a_100000758301_100000211660 [0,0,0,0,0,2|2,0,0]=4 2465 B8R0.9 C=C(F)CNC(C)CC 2230a_100000209981_100009893438 [0,0,0,0,0,2|2,0,0]=4 2466 B8R0.9 C=C(F)COC(C)CC 34a_200010262243_100011215416 [0,0,0,0,0,2|2,0,0]=4 2467 B8R0.9 C=C(F)COC(C)CC 7a_100000210228_100000042424 [0,0,0,0,0,2|2,0,0]=4 2468 B8R0.9 C=C(F)CSC(C)CC 62a_100000042424_100000758301 [0,0,0,0,0,2|2,0,0]=4 2469 B8R0.9 C=C(F)CSC(C)CC 62a_100000758301_100000042424 [0,0,0,0,0,2|2,0,0]=4 2470 B8R0.9 C=CC(C)NCC(=O)O 269956a_100016091260_100011215867 [0,0,0,0,0,2|0,0,2]=4 2471 B8R0.9 CC(=O)COC(C)CO 34a_100000211253_100012180447 [0,0,0,0,0,2|2,0,0]=4 2472 B8R0.9 CC(=O)NCC(C)CO 240690a_100000744482_100015343762 [0,0,0,0,0,2|2,0,0]=4 2473 B8R0.9 CC(=O)NCC(C)CO 527a_100000744482_100103153847 [0,0,0,0,0,2|2,0,0]=4 2474 B8R0.9 CC(C#N)NCC(=O)O 269956a_100016091260_100000184139 [0,0,0,0,0,2|1,0,1]=4 2475 B8R0.9 CC(CF)OCC(=O)N 34a_100016041109_100000187820 [0,0,0,0,0,2|2,0,0]=4 2476 B8R0.9 CC(CF)OCC(=O)N 7a_100016041109_100000187820 [0,0,0,0,0,2|2,0,0]=4 2477 B8R0.9 CC(CF)OCC(=O)[O-] 34a_100016041109_100020667443 [0,0,0,0,0,2|1,0,1]=4 2478 B8R0.9 CC(CN)OCC(=O)N 34a_100000210904_100000187820 [0,0,0,0,0,2|2,0,0]=4 2479 B8R0.9 CC(CN)OCC(=O)[O-] 34a_100000210904_100020667443 [0,0,0,0,0,2|1,0,1]=4 2480 B8R0.9 CC(CO)NCC(=O)N 2230a_100000711301_100012180447 [0,0,0,0,0,2|2,0,0]=4 2481 B8R0.9 CC(CO)SCC(=O)N 62a_100012180447_100000747473 [0,0,0,0,0,2|2,0,0]=4 2482 B8R0.9 CC(CO)SCC(=O)[O-] 62a_100012180447_100020667443 [0,0,0,0,0,2|1,0,1]=4 2483 B8R0.9 CCC(C)CCC(=O)C 1458a_100000701222_200000210301 [0,0,0,0,0,2|1,0,0]=3 2484 B8R0.9 CCC(C)CCC(=O)[13CH3] 1458a_100000701222_200025704644 [0,0,0,0,0,2|1,0,0]=3 2485 B8R0.9 CCC(C)CNC(=O)C 11a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2486 B8R0.9 CCC(C)CNC(=O)C 1626a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2487 B8R0.9 CCC(C)CNC(=O)C 240690a_100020588543_100015343762 [0,0,0,0,0,2|1,0,0]=3 2488 B8R0.9 CCC(C)CNC(=O)C 527a_100020588543_100103153847 [0,0,0,0,0,2|1,0,0]=3 2489 B8R0.9 CCC(C)NCC(=O)N 2230a_100000209981_100000747473 [0,0,0,0,0,2|1,0,0]=3 2490 B8R0.9 CCC(C)NCC(=O)N 2230a_100000711301_100000758301 [0,0,0,0,0,2|1,0,0]=3 2491 B8R0.9 CCC(C)NCC(=O)O 269956a_100016091260_100000758301 [0,0,0,0,0,2|0,0,0]=2 2492 B8R0.9 CCC(C)NCC(C)O 2230a_100000209981_100011218427 [0,0,0,0,0,2|1,0,1]=4 2493 B8R0.9 CCC(C)NCC(C)O 2230a_100000210904_100000758301 [0,0,0,0,0,2|1,0,1]=4 2494 B8R0.9 CCC(C)NCC(C)O 34a_100000210904_100011215416 [0,0,0,0,0,2|1,0,1]=4 2495 B8R0.9 CCC(C)NC[C@@H](C)O 2230a_100000209981_100009817552 [0,0,0,0,0,2|1,0,1]=4 2496 B8R0.9 CCC(C)NNC(=O)C 22a_100000718999_100000070787 [0,0,0,0,0,2|1,0,0]=3 2497 B8R0.9 CCC(C)OCC(=O)C 34a_100000211253_100011215416 [0,0,0,0,0,2|1,0,0]=3 2498 B8R0.9 CCC(C)OCC(=O)N 7a_100000210228_100000187820 [0,0,0,0,0,2|1,0,0]=3 2499 B8R0.9 CCC(C)OCC(C)O 7a_100000210228_100011218427 [0,0,0,0,0,2|1,0,1]=4 2500 B8R0.9 CCC(C)OC[C@@H](C)O 7a_100000210228_100009817552 [0,0,0,0,0,2|1,0,1]=4 2501 B8R0.9 CCC(C)SCC(=O)N 62a_100000747473_100000758301 [0,0,0,0,0,2|1,0,0]=3 2502 B8R0.9 CCC(C)SCC(=O)N 62a_100000758301_100000747473 [0,0,0,0,0,2|1,0,0]=3 2503 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100000758301_100020667443 [0,0,0,0,0,2|0,0,1]=3 2504 B8R0.9 CCC(C)SCC(=O)[O-] 62a_100020667443_100000758301 [0,0,0,0,0,2|0,0,1]=3 2505 B8R0.9 CCC(C)SCC(C)O 62a_100000758301_100011218427 [0,0,0,0,0,2|1,0,1]=4 2506 B8R0.9 CCC(C)SCC(C)O 62a_100011218427_100000758301 [0,0,0,0,0,2|1,0,1]=4 2507 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100000758301_100009817552 [0,0,0,0,0,2|1,0,1]=4 2508 B8R0.9 CCC(C)SC[C@@H](C)O 62a_100009817552_100000758301 [0,0,0,0,0,2|1,0,1]=4 2509 B8R0.9 CCC(C)SC[N+](=O)[O-] 62a_100000758301_100000761209 [0,0,0,0,0,2|1,0,1]=4 2510 B8R0.9 CCC(O)CNC(=O)C 11a_100011218483_100015343762 [0,0,0,0,0,2|2,0,0]=4 2511 B8R0.9 CCC(O)CNC(=O)C 240690a_100011218483_100015343762 [0,0,0,0,0,2|2,0,0]=4 2512 B8R0.9 CCC(O)CNC(=O)C 527a_100011218483_100103153847 [0,0,0,0,0,2|2,0,0]=4 2513 B8R0.9 CCN(C)CCC(=O)C 1458a_100000755305_200000210301 [0,0,0,0,0,2|2,0,0]=4 2514 B8R0.9 CCN(C)CCC(=O)C 269982a_100000225621_100000053229 [0,0,0,0,0,2|2,0,0]=4 2515 B8R0.9 CCN(C)CCC(=O)N 2230a_100000225621_100000744528 [0,0,0,0,0,2|2,0,0]=4 2516 B8R0.9 CCN(C)CCC(=O)N 2230a_100000730477_100000210202 [0,0,0,0,0,2|2,0,0]=4 2517 B8R0.9 CCN(C)CCC(=O)N 2230a_100020645749_200000210301 [0,0,0,0,0,2|2,0,0]=4 2518 B8R0.9 CCN(C)CCC(=O)N 269982a_100000225621_100000744528 [0,0,0,0,0,2|2,0,0]=4 2519 B8R0.9 CCN(C)CCC(=O)[13CH3] 1458a_100000755305_200025704644 [0,0,0,0,0,2|2,0,0]=4 2520 B8R0.9 CCN(C)COC(=O)C 269982a_100000225621_100000076356 [0,0,0,0,0,2|2,0,0]=4 2521 B8R0.9 CCN([13CH3])CCC(=O)N 2230a_100020645749_200025704644 [0,0,0,0,0,2|2,0,0]=4 2522 B8R0.9 CNC(C)COC(=O)C 270004a_106832991635_100000000629 [0,0,0,0,0,2|2,0,0]=4 2523 B8R0.9 COC(C)NCC(=O)O 269956a_100016091260_100009879195 [0,0,0,0,0,2|1,0,0]=3 2524 B8R0.9 COC(C)SCC(=O)N 62a_100000747473_100009879195 [0,0,0,0,0,2|2,0,0]=4 2525 B8R0.9 COC(C)SCC(=O)N 62a_100009879195_100000747473 [0,0,0,0,0,2|2,0,0]=4 2526 B8R0.9 COC(C)SCC(=O)[O-] 62a_100009879195_100020667443 [0,0,0,0,0,2|1,0,1]=4 2527 B8R0.9 COC(C)SCC(=O)[O-] 62a_100020667443_100009879195 [0,0,0,0,0,2|1,0,1]=4 2528 B8R0.9 CO[C@H](C)CNC(=O)C 11a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2529 B8R0.9 CO[C@H](C)CNC(=O)C 1626a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2530 B8R0.9 CO[C@H](C)CNC(=O)C 240690a_100020591295_100015343762 [0,0,0,0,0,2|2,0,0]=4 2531 B8R0.9 CO[C@H](C)CNC(=O)C 527a_100020591295_100103153847 [0,0,0,0,0,2|2,0,0]=4 2532 B8R0.9 C[C@H](CO)NCC(=O)N 2230a_100000737577_100000747473 [0,0,0,0,0,2|2,0,0]=4 2533 B8R0.9 C[C@H](CO)NCC(=O)O 269956a_100016091260_100016084084 [0,0,0,0,0,2|1,0,0]=3 2534 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100000747473_100016084084 [0,0,0,0,0,2|2,0,0]=4 2535 B8R0.9 C[C@H](CO)SCC(=O)N 62a_100016084084_100000747473 [0,0,0,0,0,2|2,0,0]=4 2536 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100016084084_100020667443 [0,0,0,0,0,2|1,0,1]=4 2537 B8R0.9 C[C@H](CO)SCC(=O)[O-] 62a_100020667443_100016084084 [0,0,0,0,0,2|1,0,1]=4