0 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200009813997_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.13 CC(C)(S[13CH3])[N+](=O)[O-] 62a_200025704644_200009813997 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.13 CCC(C)(C)N(C)C 2230a_200000755171_200000210301 [0,0,0,0,0,0|4,0,0]=4 26 B7R0.13 CCC(C)(C)N(C)C 269982a_100102631434_100000032637 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.13 CCC(C)(C)N(C)C 269982a_200000755171_200000210301 [0,0,0,0,0,0|4,0,0]=4 28 B7R0.13 CCC(C)(C)N(C)[13CH3] 2230a_200000755171_200025704644 [0,0,0,0,0,0|4,0,0]=4 29 B7R0.13 CCC(C)(C)N(C)[13CH3] 269982a_200000755171_200025704644 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B7R0.13 CCC(F)(F)C(=O)C 1458a_100000061896_200000210301 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.13 CCC(F)(F)C(=O)[13CH3] 1458a_100000061896_200025704644 [0,0,0,0,0,0|3,0,0]=3 34 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [0,0,0,0,0,0|3,0,0]=3 35 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [0,0,0,0,0,0|3,0,0]=3 36 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [0,0,0,0,0,0|3,0,0]=3 39 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [0,0,0,0,0,0|3,0,0]=3 40 B7R0.13 CNC(F)(F)C(=O)N 7a_106832991635_100009811971 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.13 CNC(F)(F)C(=O)[O-] 34a_100102657272_100020612412 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [0,0,0,0,0,0|3,0,0]=3 43 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [0,0,0,0,0,0|3,0,0]=3 49 B7R0.13 COC(F)(F)C(=O)[O-] 34a_100138415774_100020612412 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [0,0,0,0,0,0|3,0,0]=3 51 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200000210301_200009813997 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.13 CSC(C)(C)[N+](=O)[O-] 62a_200009813997_200000210301 [0,0,0,0,0,0|3,0,1]=4 56 B7R0.13 CSC(F)(F)C(=O)N 62a_100009811971_200000210301 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.13 CSC(F)(F)C(=O)N 62a_200000210301_100009811971 [0,0,0,0,0,0|4,0,0]=4 58 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_100000745680_200000210301 [0,0,0,0,0,0|3,0,1]=4 59 B7R0.13 CSC(F)(F)C(=O)[O-] 62a_200000210301_100000745680 [0,0,0,0,0,0|3,0,1]=4 60 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_100009811971_200025704644 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.13 [13CH3]SC(F)(F)C(=O)N 62a_200025704644_100009811971 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_100000745680_200025704644 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.13 [13CH3]SC(F)(F)C(=O)[O-] 62a_200025704644_100000745680 [0,0,0,0,0,0|3,0,1]=4 64 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|1,0,2]=4 66 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|2,0,0]=3 73 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|2,0,0]=3 79 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,0]=2 80 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.3 CCC(C)N(C)C 2230a_100000741768_200000210301 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.3 CCC(C)N(C)C 2230a_100102631434_100000758301 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.3 CCC(C)N(C)C 269982a_100000741768_200000210301 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.3 CCC(C)N(C)C 269982a_100102631434_100000758301 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 CCC(C)N(C)[13CH3] 2230a_100000741768_200025704644 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.3 CCC(C)N(C)[13CH3] 269982a_100000741768_200025704644 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|1,0,0]=2 104 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 115 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 122 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 123 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 125 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 127 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 128 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 129 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|1,0,0]=2 130 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 131 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|3,0,0]=4 132 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 134 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.7 CC(=O)C(C)(C)C 1458a_106744555173_200000210301 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.7 CC(=O)C(C)(C)F 1458a_100000765255_200000210301 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.7 CC(=O)C(C)(C)O 1458a_100000242741_200000210301 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.7 CC(C)(C)C(=O)[13CH3] 1458a_106744555173_200025704644 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.7 CC(C)(F)C(=O)[13CH3] 1458a_100000765255_200025704644 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.7 CC(C)(O)C(=O)[13CH3] 1458a_100000242741_200025704644 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.8 C=CC(C)(C)OC 34a_100011215311_200000210301 [1,0,0,0,0,0|3,0,0]=4 143 B6R0.8 C=CC(C)(C)OC 7a_100011215311_200000210301 [1,0,0,0,0,0|3,0,0]=4 144 B6R0.8 C=CC(C)(C)O[13CH3] 34a_100011215311_200025704644 [1,0,0,0,0,0|3,0,0]=4 145 B6R0.8 C=CC(C)(C)O[13CH3] 7a_100011215311_200025704644 [1,0,0,0,0,0|3,0,0]=4 146 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.8 CCC(C)(C)NC 2230a_100000211385_200000210301 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.8 CCC(C)(C)NC 7a_106832991635_100000210677 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.8 CCC(C)(C)N[13CH3] 2230a_100000211385_200025704644 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.8 CCC(C)(C)OC 7a_100000210230_200000210301 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.8 CCC(C)(C)O[13CH3] 7a_100000210230_200025704644 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.8 CCC(C)(C)SC 62a_100000032637_200000210301 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.8 CCC(C)(C)SC 62a_200000210301_100000032637 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.8 CCC(C)(C)S[13CH3] 62a_100000032637_200025704644 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.8 CCC(C)(C)S[13CH3] 62a_200025704644_100000032637 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,0,0,0,0,0|2,0,1]=4 157 B8R0.12 C=CCC(C)(C)C(=O)C 1458a_100000705796_200000210301 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.12 C=CCC(C)(C)C(=O)[13CH3] 1458a_100000705796_200025704644 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.12 CC(=O)C(C)(C)OCF 34a_100000747739_100015361967 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.12 CC(=O)C(C)(C)OCF 7a_100000747739_100015361967 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.12 CC(=O)C(C)(C)SCF 62a_100000075568_100015361967 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.12 CC(=O)C(C)(C)SCF 62a_100015361967_100000075568 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.12 CC(C)(CN[13CH3])C(=O)N 2230a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.12 CC(C)(CN[13CH3])C(=O)N 34a_100000740840_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B8R0.12 CC(C)(CN[13CH3])C(=O)O 269956a_100000693527_200025704644 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 34a_100000032158_200025704644 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.12 CC(C)(CO[13CH3])[N+](=O)[O-] 7a_100000032158_200025704644 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200009895572_200025704644 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.12 CC(C)(CS[13CH3])C(=O)N 62a_200025704644_200009895572 [0,1,0,0,0,0|2,0,0]=3 170 B8R0.12 CC(C)(NCF)C(=O)N 34a_100000743658_100015361967 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.12 CC(C)(OCF)C(=O)N 34a_100011626353_100015361967 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.12 CC(C)(OCF)C(=O)N 7a_100011626353_100015361967 [0,1,0,0,0,0|3,0,0]=4 173 B8R0.12 CC(C)(ON[13CH3])C(=O)O 269956a_100016989451_200025704644 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.12 CC(C)(SCF)C(=O)N 62a_100000702505_100015361967 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.12 CC(C)(SCF)C(=O)N 62a_100015361967_100000702505 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [0,1,0,0,0,0|2,0,0]=3 177 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.12 CCNC(C)(C)C(=O)N 2230a_100015525214_100000702505 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.12 CCNC(C)(C)C(=O)N 34a_100000743658_100000210202 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.12 CCOC(C)(C)C(=O)C 1458a_100011458965_200000210301 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.12 CCOC(C)(C)C(=O)C 34a_100000747739_100000210202 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.12 CCOC(C)(C)C(=O)C 7a_100000747739_100000210202 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.12 CCOC(C)(C)C(=O)N 34a_100011626353_100000210202 [0,1,0,0,0,0|2,0,0]=3 185 B8R0.12 CCOC(C)(C)C(=O)N 34a_100121572206_100000702505 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.12 CCOC(C)(C)C(=O)N 7a_100011626353_100000210202 [0,1,0,0,0,0|2,0,0]=3 187 B8R0.12 CCOC(C)(C)C(=O)[13CH3] 1458a_100011458965_200025704644 [0,1,0,0,0,0|2,0,0]=3 188 B8R0.12 CCOC(F)(F)C(=O)[O-] 34a_100121572206_100020612412 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000075568_100000210202 [0,1,0,0,0,0|2,0,0]=3 190 B8R0.12 CCSC(C)(C)C(=O)C 62a_100000210202_100000075568 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000210202_100000702505 [0,1,0,0,0,0|2,0,0]=3 192 B8R0.12 CCSC(C)(C)C(=O)N 62a_100000702505_100000210202 [0,1,0,0,0,0|2,0,0]=3 193 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_100000210202_200009813997 [0,1,0,0,0,0|2,0,1]=4 194 B8R0.12 CCSC(C)(C)[N+](=O)[O-] 62a_200009813997_100000210202 [0,1,0,0,0,0|2,0,1]=4 195 B8R0.12 CCSC(F)(F)C(=O)N 62a_100000210202_100009811971 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.12 CCSC(F)(F)C(=O)N 62a_100009811971_100000210202 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000210202_100000745680 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.12 CCSC(F)(F)C(=O)[O-] 62a_100000745680_100000210202 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.12 CNCC(C)(C)C(=O)N 2230a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.12 CNCC(C)(C)C(=O)N 34a_100000740840_200000210301 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.12 CNCC(C)(C)C(=O)N 34a_100102657272_200009895572 [0,1,0,0,0,0|2,0,0]=3 202 B8R0.12 CNCC(C)(C)C(=O)O 269956a_100000693527_200000210301 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.12 CNCC(F)(F)C(=O)O 269956a_100000734215_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B8R0.12 CNOC(C)(C)C(=O)O 269956a_100016989451_200000210301 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.12 COCC(C)(C)C(=O)N 34a_100138415774_200009895572 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.12 COCC(C)(C)[N+](=O)[O-] 34a_100000032158_200000210301 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.12 COCC(C)(C)[N+](=O)[O-] 7a_100000032158_200000210301 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.12 CSCC(C)(C)C(=O)N 62a_200000210301_200009895572 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.12 CSCC(C)(C)C(=O)N 62a_200009895572_200000210301 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.12 [13CH3]NCC(F)(F)C(=O)O 269956a_100000734215_200025704644 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.13 C#CC(C)(C)C(=O)CO 1458a_100000210174_100000038118 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.13 CC(C)(CF)C(=O)CF 1458a_100000138116_100015361967 [0,1,0,0,0,0|3,0,0]=4 213 B8R0.13 CC(C)(CO)C(=O)CF 1458a_100000749806_100015361967 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.13 CC(C)(O[13CH3])C(=O)NN 34a_100000061348_200025704644 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.13 CCC(=O)C(C)(C)CC 1458a_100000749717_100000210202 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.13 CCC(=O)C(C)(C)CF 1458a_100000138116_100000210202 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.13 CCC(=O)C(C)(C)CO 1458a_100000749806_100000210202 [0,1,0,0,0,0|3,0,0]=4 218 B8R0.13 CCC(=O)C(C)(C)OC 1458a_100000753492_100000210202 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.13 CCC(=O)C(C)(O)CC 1458a_100011219770_100000210202 [0,1,0,0,0,0|2,0,0]=3 220 B8R0.13 CCC(=O)C(F)(F)CC 1458a_100000061896_100000210202 [0,1,0,0,0,0|3,0,0]=4 221 B8R0.13 CCC(C)(C)C(=O)CF 1458a_100000749717_100015361967 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.13 CCC(C)(C)C(=O)NC 11a_106832991635_100000749717 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.13 CCC(C)(C)C(=O)NC 1626a_100102657272_100000749717 [0,1,0,0,0,0|2,0,0]=3 224 B8R0.13 CCC(C)(C)C(=O)NC 240690a_100102657272_100000749717 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.13 CCC(C)(C)C(=O)NC 527a_100102657272_100000749717 [0,1,0,0,0,0|2,0,0]=3 226 B8R0.13 CCC(C)(O)C(=O)CF 1458a_100011219770_100015361967 [0,1,0,0,0,0|2,0,0]=3 227 B8R0.13 CCC(C)(O)C(=O)NC 240690a_100102657272_100011219770 [0,1,0,0,0,0|2,0,0]=3 228 B8R0.13 CCC(F)(F)C(=O)CF 1458a_100000061896_100015361967 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.13 CCC(F)(F)C(=O)NC 11a_106832991635_100000061896 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.13 CCC(F)(F)C(=O)NC 1626a_100102657272_100000061896 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.13 CCC(F)(F)C(=O)NC 240690a_100102657272_100000061896 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.13 CCC(F)(F)C(=O)NC 527a_100102657272_100000061896 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.13 CNC(=O)C(C)(C)CF 11a_106832991635_100000138116 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.13 CNC(=O)C(C)(C)CF 1626a_100102657272_100000138116 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.13 CNC(=O)C(C)(C)CF 240690a_100102657272_100000138116 [0,1,0,0,0,0|3,0,0]=4 236 B8R0.13 CNC(=O)C(C)(C)CF 527a_100102657272_100000138116 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.13 CNC(=O)C(C)(C)CO 1626a_100102657272_100000749806 [0,1,0,0,0,0|3,0,0]=4 238 B8R0.13 CNC(=O)C(C)(C)CO 240690a_100102657272_100000749806 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.13 CNC(=O)C(C)(C)CO 527a_100102657272_100000749806 [0,1,0,0,0,0|3,0,0]=4 240 B8R0.13 CNC(=O)C(C)(C)NC 2230a_106832991635_100000732697 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.13 CNC(=O)C(C)(C)NC 34a_100102657272_100000732697 [0,1,0,0,0,0|3,0,0]=4 242 B8R0.13 CNC(=O)C(C)(C)OC 11a_106832991635_100000753492 [0,1,0,0,0,0|3,0,0]=4 243 B8R0.13 CNC(=O)C(C)(C)OC 1626a_100102657272_100000753492 [0,1,0,0,0,0|3,0,0]=4 244 B8R0.13 CNC(=O)C(C)(C)OC 240690a_100102657272_100000753492 [0,1,0,0,0,0|3,0,0]=4 245 B8R0.13 CNC(=O)C(C)(C)OC 34a_100138415774_100000732697 [0,1,0,0,0,0|3,0,0]=4 246 B8R0.13 CNC(=O)C(C)(C)OC 527a_100102657272_100000753492 [0,1,0,0,0,0|3,0,0]=4 247 B8R0.13 CNC(=O)C(C)(C)SC 62a_100000732697_200000210301 [0,1,0,0,0,0|3,0,0]=4 248 B8R0.13 CNC(=O)C(C)(C)SC 62a_200000210301_100000732697 [0,1,0,0,0,0|3,0,0]=4 249 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_100000732697_200025704644 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.13 CNC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000732697 [0,1,0,0,0,0|3,0,0]=4 251 B8R0.13 CNC(C)(C)C(=O)OC 2230a_106832991635_100000689032 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.13 CNC(C)(F)C(=O)OC 2230a_106832991635_200009867631 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.13 CNC(C)(F)C(=O)OC 34a_100102657272_200009867631 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.13 CNC(F)(F)C(=O)OC 34a_100102657272_100000211177 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.13 CNC(F)(F)C(=O)OC 7a_106832991635_100000211177 [0,1,0,0,0,0|3,0,0]=4 256 B8R0.13 COC(=O)C(C)(C)OC 34a_100011217581_200000210301 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.13 COC(=O)C(C)(C)OC 7a_100011217581_200000210301 [0,1,0,0,0,0|2,0,0]=3 258 B8R0.13 COC(=O)C(C)(C)O[13CH3] 34a_100011217581_200025704644 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.13 COC(=O)C(C)(C)O[13CH3] 7a_100011217581_200025704644 [0,1,0,0,0,0|2,0,0]=3 260 B8R0.13 COC(=O)C(C)(C)SC 62a_100000689032_200000210301 [0,1,0,0,0,0|2,0,0]=3 261 B8R0.13 COC(=O)C(C)(C)SC 62a_200000210301_100000689032 [0,1,0,0,0,0|2,0,0]=3 262 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_100000689032_200025704644 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.13 COC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000689032 [0,1,0,0,0,0|2,0,0]=3 264 B8R0.13 COC(=O)C(C)(F)OC 34a_100138415774_200009867631 [0,1,0,0,0,0|2,0,0]=3 265 B8R0.13 COC(=O)C(C)(F)SC 62a_200000210301_200009867631 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.13 COC(=O)C(C)(F)SC 62a_200009867631_200000210301 [0,1,0,0,0,0|2,0,0]=3 267 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200009867631_200025704644 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.13 COC(=O)C(C)(F)S[13CH3] 62a_200025704644_200009867631 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.13 COC(=O)C(F)(F)OC 34a_100138415774_100000211177 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.13 COC(=O)C(F)(F)SC 62a_100000211177_200000210301 [0,1,0,0,0,0|3,0,0]=4 271 B8R0.13 COC(=O)C(F)(F)SC 62a_200000210301_100000211177 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_100000211177_200025704644 [0,1,0,0,0,0|3,0,0]=4 273 B8R0.13 COC(=O)C(F)(F)S[13CH3] 62a_200025704644_100000211177 [0,1,0,0,0,0|3,0,0]=4 274 B8R0.13 COC(C)(C)C(=O)CF 1458a_100000753492_100015361967 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.13 COC(C)(C)C(=O)NN 34a_100000061348_200000210301 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,1,0,0,0,0|3,0,0]=4 277 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,1,0,0,0,0|3,0,0]=4 278 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,1,0,0,0,0|2,0,0]=3 281 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,1,0,0,0,0|0,0,0]=1 282 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,1,0,0,0,0|0,0,0]=1 283 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,1,0,0,0,0|3,0,0]=4 284 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,1,0,0,0,0|3,0,0]=4 285 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 286 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 287 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,1,0,0,0,0|3,0,0]=4 288 B8R1.63 CC(=O)C1(CC1)CO 1458a_100012027107_200000210301 [0,0,0,1,0,0|3,0,0]=4 289 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_100000086384_200025704644 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.63 CC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000086384 [0,0,0,1,0,0|3,0,0]=4 291 B8R1.63 CNC1(CC1)C(=O)N 2230a_100000687655_200000210301 [0,0,0,1,0,0|3,0,0]=4 292 B8R1.63 CNC1(CC1)C(=O)N 34a_100102657272_100010760883 [0,0,0,1,0,0|3,0,0]=4 293 B8R1.63 CNC1(CC1)C(=O)N 7a_106832991635_100010760883 [0,0,0,1,0,0|3,0,0]=4 294 B8R1.63 CNC1(CC1)C(=O)O 269956a_100000746478_200000210301 [0,0,0,1,0,0|2,0,0]=3 295 B8R1.63 COC1(CC1)C(=O)C 1458a_100000137688_200000210301 [0,0,0,1,0,0|3,0,0]=4 296 B8R1.63 COC1(CC1)C(=O)N 34a_100138415774_100010760883 [0,0,0,1,0,0|3,0,0]=4 297 B8R1.63 COC1(CC1)C(=O)[13CH3] 1458a_100000137688_200025704644 [0,0,0,1,0,0|3,0,0]=4 298 B8R1.63 CSC1(CC1)C(=O)C 62a_100000086384_200000210301 [0,0,0,1,0,0|3,0,0]=4 299 B8R1.63 CSC1(CC1)C(=O)C 62a_200000210301_100000086384 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.63 CSC1(CC1)C(=O)N 62a_100010760883_200000210301 [0,0,0,1,0,0|3,0,0]=4 301 B8R1.63 CSC1(CC1)C(=O)N 62a_200000210301_100010760883 [0,0,0,1,0,0|3,0,0]=4 302 B8R1.63 [13CH3]C(=O)C1(CC1)CO 1458a_100012027107_200025704644 [0,0,0,1,0,0|3,0,0]=4 303 B8R1.63 [13CH3]NC1(CC1)C(=O)N 2230a_100000687655_200025704644 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.63 [13CH3]NC1(CC1)C(=O)O 269956a_100000746478_200025704644 [0,0,0,1,0,0|2,0,0]=3 305 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_100010760883_200025704644 [0,0,0,1,0,0|3,0,0]=4 306 B8R1.63 [13CH3]SC1(CC1)C(=O)N 62a_200025704644_100010760883 [0,0,0,1,0,0|3,0,0]=4 307 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [0,0,0,1,0,0|2,0,0]=3 308 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [0,0,0,1,0,0|2,0,0]=3 309 B8R1.78 CC(=O)C1(COC1)C 1458a_100000094709_200000210301 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.78 CC(=O)C1(COC1)O 1458a_100010273515_200000210301 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [0,0,0,1,0,0|2,0,0]=3 312 B8R1.78 CC1(COC1)C(=O)[13CH3] 1458a_100000094709_200025704644 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [0,0,0,1,0,0|2,0,0]=3 314 B8R1.78 [13CH3]C(=O)C1(COC1)O 1458a_100010273515_200025704644 [0,0,0,1,0,0|3,0,0]=4 315 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [0,0,0,0,0,1|3,0,0]=4 316 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [0,0,0,0,0,1|3,0,0]=4 317 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [0,0,0,0,0,1|3,0,0]=4 318 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [0,0,0,0,0,1|3,0,0]=4 319 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [0,0,0,0,0,1|2,0,0]=3 320 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [0,0,0,0,0,1|2,0,0]=3 321 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [0,0,0,0,0,1|2,0,0]=3 322 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [0,0,0,0,0,1|2,0,0]=3 323 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [0,0,0,0,0,1|2,0,0]=3 324 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [0,0,0,0,0,1|2,0,0]=3 325 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [0,0,0,0,0,1|2,0,0]=3 326 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [0,0,0,0,0,1|2,0,0]=3 327 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [0,0,0,0,0,1|2,0,0]=3 328 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [0,0,0,0,0,1|3,0,0]=4 329 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [0,0,0,0,0,1|2,0,0]=3 330 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [0,0,0,0,0,1|3,0,0]=4 331 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|2,0,0]=4 332 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 335 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,0]=3 336 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,0]=3 337 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,0]=3 338 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 343 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 344 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 345 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 346 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 348 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 349 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 350 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 351 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 353 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 354 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 355 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 357 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 358 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|2,0,0]=4 359 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 360 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 361 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 364 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 365 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|2,0,0]=4 366 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 370 B5R0.3 CCC(C)NC 2230a_100000209981_200000210301 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.3 CCC(C)NC 2230a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.3 CCC(C)NC 34a_100102657272_100011215416 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.3 CCC(C)NC 7a_106832991635_100000758301 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 CCC(C)N[13CH3] 2230a_100000209981_200025704644 [2,0,0,0,0,0|2,0,0]=4 375 B5R0.3 CCC(C)OC 34a_100138415774_100011215416 [2,0,0,0,0,0|2,0,0]=4 376 B5R0.3 CCC(C)OC 7a_100000210228_200000210301 [2,0,0,0,0,0|2,0,0]=4 377 B5R0.3 CCC(C)O[13CH3] 7a_100000210228_200025704644 [2,0,0,0,0,0|2,0,0]=4 378 B5R0.3 CCC(C)SC 62a_100000758301_200000210301 [2,0,0,0,0,0|2,0,0]=4 379 B5R0.3 CCC(C)SC 62a_200000210301_100000758301 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.3 CCC(C)S[13CH3] 62a_100000758301_200025704644 [2,0,0,0,0,0|2,0,0]=4 381 B5R0.3 CCC(C)S[13CH3] 62a_200025704644_100000758301 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 383 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,1]=4 384 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 385 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 386 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,1]=4 387 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 388 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 389 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,1]=4 390 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 391 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 392 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,1]=4 393 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|1,0,0]=3 394 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|1,0,0]=3 395 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|2,0,0]=4 396 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 397 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 398 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|2,0,0]=4 399 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|2,0,0]=4 400 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|2,0,0]=4 402 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|1,0,0]=3 403 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|2,0,0]=4 404 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|2,0,0]=4 405 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|2,0,0]=4 406 B7R0.5 C=C(C)C(C)NCC 269862a_100015525214_100011216138 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,1,0,0,0,0|2,0,0]=4 414 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,1,0,0,0,0|2,0,0]=4 415 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,1,0,0,0,0|2,0,0]=4 416 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|2,0,0]=4 417 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|0,0,0]=2 419 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 34a_100000039676_200025704644 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.5 CC(CO[13CH3])[N+](=O)[O-] 7a_100000039676_200025704644 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [1,1,0,0,0,0|2,0,0]=4 423 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,1]=4 425 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,0]=3 426 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,0]=3 427 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,0]=3 428 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 429 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 430 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,1,0,0,0,0|2,0,0]=4 432 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,1,0,0,0,0|2,0,0]=4 433 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,1,0,0,0,0|2,0,0]=4 434 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.5 CCNC(F)C(=O)N 2230a_100015525214_100009813875 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|0,0,0]=2 438 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|1,0,0]=3 439 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|1,0,0]=3 440 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|1,0,0]=3 441 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|1,0,0]=3 442 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|1,0,0]=3 443 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|1,0,0]=3 444 B7R0.5 CCOC(F)C(=O)N 34a_100121572206_100009813875 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.5 CCOC(F)C(=O)[O-] 34a_100121572206_100020610796 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|0,0,1]=3 447 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|1,0,0]=3 451 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.5 CCSC(F)C(=O)N 62a_100000210202_100009813875 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.5 CCSC(F)C(=O)N 62a_100009813875_100000210202 [1,1,0,0,0,0|2,0,0]=4 457 B7R0.5 CCSC(F)C(=O)[O-] 62a_100000210202_100020610796 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.5 CCSC(F)C(=O)[O-] 62a_100020610796_100000210202 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|0,0,0]=2 460 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,0]=3 461 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|1,0,0]=3 462 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|1,0,0]=3 463 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|1,0,0]=3 464 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|1,0,0]=3 465 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|1,0,0]=3 466 B7R0.5 COCC(C)[N+](=O)[O-] 34a_100000039676_200000210301 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.5 COCC(C)[N+](=O)[O-] 7a_100000039676_200000210301 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,0,0]=3 469 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|1,0,0]=3 470 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|1,0,0]=3 471 B7R0.5 C[C@@H](NCF)C(=O)N 34a_100000119354_100015361967 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.5 C[C@@H](OCF)C(=O)N 34a_100000731257_100015361967 [1,1,0,0,0,0|2,0,0]=4 473 B7R0.5 C[C@@H](OCF)C(=O)N 7a_100000731257_100015361967 [1,1,0,0,0,0|2,0,0]=4 474 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.5 C[C@H](OCF)C(=O)[O-] 7a_217856618621_100015361967 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,0]=3 481 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|2,0,0]=4 482 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|2,0,0]=4 483 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,1,0,0,0,0|2,0,0]=4 485 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 489 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|2,0,0]=4 490 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|2,0,0]=4 491 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|2,0,0]=4 492 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.10 CCC(=O)N(C)CC 11a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.10 CCC(=O)N(C)CC 1626a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 498 B7R0.10 CCC(=O)N(C)CC 240690a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.10 CCC(=O)N(C)CC 527a_100000225621_100000210414 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,0]=3 501 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,0]=2 502 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,0]=3 503 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 504 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 505 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,0]=3 506 B7R0.10 CCC(C)C(C)OC 7a_100011215189_200000210301 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.10 CCC(C)C(C)O[13CH3] 7a_100011215189_200025704644 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.10 CCC(O)C(=O)CF 1458a_100011196387_100015361967 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.10 CCC(O)C(=O)NC 240690a_100102657272_100011196387 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,0,0]=3 511 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,0,0]=3 512 B7R0.10 CCN(C)C(=O)NC 2708a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.10 CCN(C)C(=O)NC 273464a_100102657272_100000225621 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 519 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 535 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 536 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|1,0,0]=3 538 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|1,0,0]=3 539 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|2,0,0]=4 545 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,1,0,0,0,0|2,0,0]=4 546 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|2,0,0]=4 547 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,2]=4 548 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,2]=4 549 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,0]=3 551 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,0]=3 552 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 553 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 554 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,0]=3 555 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,0]=3 556 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,0]=3 557 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 558 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,0]=3 559 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|1,0,0]=3 560 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|1,0,0]=3 561 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|1,0,0]=3 562 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|1,0,0]=3 563 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|1,0,0]=3 564 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|1,0,0]=3 565 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|1,0,0]=3 566 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 568 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,1,0,0,0,0|2,0,0]=4 569 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,0]=2 571 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,0]=2 572 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 573 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [1,1,0,0,0,0|1,0,1]=4 574 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 575 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|1,0,0]=3 577 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|1,0,0]=3 582 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [1,1,0,0,0,0|1,0,1]=4 585 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [1,1,0,0,0,0|1,0,1]=4 586 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,1,0,0,0,0|1,0,0]=3 587 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,1,0,0,0,0|2,0,0]=4 597 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,1,0,0,0,0|1,0,0]=3 598 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,1,0,0,0,0|1,0,0]=3 599 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,1,0,0,0,0|1,0,0]=3 600 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,1,0,0,0,0|2,0,0]=4 602 B7R0.11 C=CC(C)(C)OCC 34a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 603 B7R0.11 C=CC(C)(C)OCC 7a_100011215311_100000210202 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,0,1]=4 616 B7R0.18 C#CC(C)(CC)NC 2230a_100000054623_200000210301 [1,1,0,0,0,0|1,0,1]=4 617 B7R0.18 C#CC(C)(CC)N[13CH3] 2230a_100000054623_200025704644 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [1,1,0,0,0,0|1,0,1]=4 619 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 620 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 621 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [0,1,0,0,0,1|2,0,0]=4 622 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [0,1,0,0,0,1|2,0,0]=4 623 B9R0.22 C=CC(=O)NC(C)(C)CC 1626a_100000211385_100000185746 [0,1,0,0,0,1|2,0,0]=4 624 B9R0.22 C=CC(=O)NC(C)(C)CC 240690a_100000211385_200121576911 [0,1,0,0,0,1|2,0,0]=4 625 B9R0.22 CC(C)(CO)NC(=O)CO 240690a_100000210608_100000210174 [0,1,0,0,0,1|2,0,0]=4 626 B9R0.22 CC(C)(CO)NC(=O)CO 527a_100020618417_100000210174 [0,1,0,0,0,1|2,0,0]=4 627 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [0,1,0,0,0,1|2,0,0]=4 628 B9R0.22 CCC(=O)CC(C)(O)CC 1458a_200011219800_100000210202 [0,1,0,0,0,1|2,0,0]=4 629 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [0,1,0,0,0,1|2,0,0]=4 630 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [0,1,0,0,0,1|2,0,0]=4 631 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [0,1,0,0,0,1|2,0,0]=4 632 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [0,1,0,0,0,1|2,0,0]=4 633 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [0,1,0,0,0,1|2,0,0]=4 634 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [0,1,0,0,0,1|2,0,0]=4 635 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [0,1,0,0,0,1|2,0,0]=4 636 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [0,1,0,0,0,1|2,0,0]=4 637 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [0,1,0,0,0,1|2,0,0]=4 638 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [0,1,0,0,0,1|1,0,0]=3 639 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [0,1,0,0,0,1|1,0,0]=3 640 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [0,1,0,0,0,1|2,0,0]=4 641 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [0,1,0,0,0,1|2,0,0]=4 642 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [0,1,0,0,0,1|2,0,0]=4 643 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [0,1,0,0,0,1|2,0,0]=4 644 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [0,1,0,0,0,1|2,0,0]=4 645 B9R0.22 CCC(C)(O)CC(=O)CF 1458a_200011219800_100015361967 [0,1,0,0,0,1|2,0,0]=4 646 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [0,1,0,0,0,1|2,0,0]=4 647 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [0,1,0,0,0,1|2,0,0]=4 648 B9R0.22 COC(=O)CC(C)(C)OC 7a_100015205050_200000210301 [0,1,0,0,0,1|2,0,0]=4 649 B9R0.22 COC(=O)CC(C)(C)O[13CH3] 7a_100015205050_200025704644 [0,1,0,0,0,1|2,0,0]=4 650 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [0,1,0,0,0,1|2,0,0]=4 651 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [0,1,0,0,0,1|2,0,0]=4 652 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [0,1,0,0,0,1|2,0,0]=4 653 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [0,1,0,0,0,1|2,0,0]=4 654 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [0,1,0,0,0,1|2,0,0]=4 655 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [0,1,0,0,0,1|2,0,0]=4 656 B9R0.58 CC(C)(CC(=O)O)NCF 269956a_100000755897_100015361967 [0,1,0,0,0,1|2,0,0]=4 657 B9R0.58 CCCC(C)(O)CC(=O)C 1458a_100011667670_200000210301 [0,1,0,0,0,1|2,0,0]=4 658 B9R0.58 CCCC(C)(O)CC(=O)[13CH3] 1458a_100011667670_200025704644 [0,1,0,0,0,1|2,0,0]=4 659 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [0,1,0,0,0,1|2,0,0]=4 660 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [0,1,0,0,0,1|1,0,0]=3 661 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [0,1,0,0,0,1|2,0,0]=4 662 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 663 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 664 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [0,1,0,0,0,1|2,0,0]=4 665 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [0,1,0,0,0,1|2,0,0]=4 666 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 667 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 668 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [0,1,0,0,0,1|2,0,0]=4 669 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [0,1,0,0,0,1|2,0,0]=4 670 B9R0.63 C#CC(C)(CC)NC(=O)C 11a_100000054623_100015343762 [0,1,0,0,0,1|2,0,0]=4 671 B9R0.63 C#CC(C)(CC)NC(=O)C 1626a_100000054623_100015343762 [0,1,0,0,0,1|2,0,0]=4 672 B9R0.63 C#CC(C)(CC)NC(=O)C 240690a_100000054623_100015343762 [0,1,0,0,0,1|2,0,0]=4 673 B9R0.63 CCC(C)(C#N)NC(=O)C 11a_100000741185_100015343762 [0,1,0,0,0,1|1,0,1]=4 674 B9R0.63 CCC(C)(C#N)NC(=O)C 1626a_100000741185_100015343762 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.63 CCC(C)(C#N)NC(=O)C 240690a_100000741185_100015343762 [0,1,0,0,0,1|1,0,1]=4 676 B9R0.63 CCC(C)(C#N)NC(=O)C 527a_100000741185_100103153847 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [0,1,0,0,0,1|2,0,0]=4 678 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [0,1,0,0,0,1|2,0,0]=4 679 B9R0.28 CCN(C)C(C)(C)C(=O)C 269982a_100000225621_100000075568 [0,2,0,0,0,0|2,0,0]=4 680 B9R0.28 CCN(C)C(C)(C)C(=O)N 2230a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 681 B9R0.28 CCN(C)C(C)(C)C(=O)N 269982a_100000225621_100000702505 [0,2,0,0,0,0|2,0,0]=4 682 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [0,2,0,0,0,0|1,0,1]=4 683 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.28 COC(=O)C(C)(C)N(C)C 2230a_100102631434_100000689032 [0,2,0,0,0,0|2,0,0]=4 685 B9R0.28 COC(=O)C(C)(F)N(C)C 2230a_100102631434_200009867631 [0,2,0,0,0,0|2,0,0]=4 686 B9R0.51 CC(=O)C(C)(C)OCCF 34a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 687 B9R0.51 CC(=O)C(C)(C)OCCF 7a_100000747739_100011217306 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.51 CC(=O)C(C)(C)OCCO 34a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.51 CC(=O)C(C)(C)OCCO 7a_100000747739_100000211926 [0,2,0,0,0,0|2,0,0]=4 690 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100000075568_100011217306 [0,2,0,0,0,0|2,0,0]=4 691 B9R0.51 CC(=O)C(C)(C)SCCF 62a_100011217306_100000075568 [0,2,0,0,0,0|2,0,0]=4 692 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000075568_100000211926 [0,2,0,0,0,0|2,0,0]=4 693 B9R0.51 CC(=O)C(C)(C)SCCO 62a_100000211926_100000075568 [0,2,0,0,0,0|2,0,0]=4 694 B9R0.51 CC(C)(CNCF)C(=O)N 34a_100000740840_100015361967 [0,2,0,0,0,0|2,0,0]=4 695 B9R0.51 CC(C)(CNCF)C(=O)O 269956a_100000693527_100015361967 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.51 CC(C)(CSCF)C(=O)N 62a_100015361967_200009895572 [0,2,0,0,0,0|2,0,0]=4 697 B9R0.51 CC(C)(CSCF)C(=O)N 62a_200009895572_100015361967 [0,2,0,0,0,0|2,0,0]=4 698 B9R0.51 CC(C)(NCCF)C(=O)N 2230a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 699 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000724931_100000702505 [0,2,0,0,0,0|2,0,0]=4 700 B9R0.51 CC(C)(NCCF)C(=O)N 34a_100000743658_100011217306 [0,2,0,0,0,0|2,0,0]=4 701 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.51 CC(C)(NCCO)C(=O)N 2230a_100016997473_100000702505 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100000743658_100000211926 [0,2,0,0,0,0|2,0,0]=4 704 B9R0.51 CC(C)(NCCO)C(=O)N 34a_100016990907_100000702505 [0,2,0,0,0,0|2,0,0]=4 705 B9R0.51 CC(C)(OCCBr)C(=O)N 34a_100000211926_100000702505 [0,2,0,0,0,0|2,0,0]=4 706 B9R0.51 CC(C)(OCCF)C(=O)N 34a_100011626353_100011217306 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.51 CC(C)(OCCF)C(=O)N 7a_100011626353_100011217306 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.51 CC(C)(OCCN)C(=O)N 34a_100000210304_100000702505 [0,2,0,0,0,0|2,0,0]=4 709 B9R0.51 CC(C)(OCCO)C(=O)N 34a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.51 CC(C)(OCCO)C(=O)N 7a_100011626353_100000211926 [0,2,0,0,0,0|2,0,0]=4 711 B9R0.51 CC(C)(ONCF)C(=O)O 269956a_100016989451_100015361967 [0,2,0,0,0,0|2,0,0]=4 712 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100000702505_100011217306 [0,2,0,0,0,0|2,0,0]=4 713 B9R0.51 CC(C)(SCCF)C(=O)N 62a_100011217306_100000702505 [0,2,0,0,0,0|2,0,0]=4 714 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000211926_100000702505 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.51 CC(C)(SCCO)C(=O)N 62a_100000702505_100000211926 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,2,0,0,0,0|2,0,0]=4 717 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,2,0,0,0,0|2,0,0]=4 718 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,2,0,0,0,0|2,0,0]=4 719 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.51 CCCNC(C)(C)C(=O)N 2230a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 721 B9R0.51 CCCNC(C)(C)C(=O)N 34a_100000743658_100000210303 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,2,0,0,0,0|2,0,0]=4 724 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100000210258_100000702505 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.51 CCCOC(C)(C)C(=O)N 34a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.51 CCCOC(C)(C)C(=O)N 7a_100011626353_100000210303 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000210303_100000702505 [0,2,0,0,0,0|2,0,0]=4 730 B9R0.51 CCCSC(C)(C)C(=O)N 62a_100000702505_100000210303 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.51 CCNCC(C)(C)C(=O)N 2230a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.51 CCNCC(C)(C)C(=O)N 34a_100000740840_100000210202 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.51 CCNCC(C)(C)C(=O)O 269956a_100000693527_100000210202 [0,2,0,0,0,0|1,0,0]=3 734 B9R0.51 CCNCC(F)(F)C(=O)O 269956a_100000734215_100000210202 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.51 CCNOC(C)(C)C(=O)O 269956a_100016989451_100000210202 [0,2,0,0,0,0|1,0,0]=3 736 B9R0.51 CCOCC(C)(C)C(=O)N 34a_100121572206_200009895572 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.51 CCSCC(C)(C)C(=O)N 62a_100000210202_200009895572 [0,2,0,0,0,0|2,0,0]=4 738 B9R0.51 CCSCC(C)(C)C(=O)N 62a_200009895572_100000210202 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.51 COCNC(C)(C)C(=O)N 2230a_100000743658_100000766300 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000075568_100000766300 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.51 COCSC(C)(C)C(=O)C 62a_100000766300_100000075568 [0,2,0,0,0,0|2,0,0]=4 742 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000702505_100000766300 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.51 COCSC(C)(C)C(=O)N 62a_100000766300_100000702505 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.51 CSCNC(C)(C)C(=O)N 2230a_100000743658_100011218213 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.51 CSCNC(C)(C)C(=O)N 34a_100000743658_100011218213 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.51 CSCOC(C)(C)C(=O)C 34a_100000747739_100011218213 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.51 CSCOC(C)(C)C(=O)N 34a_100011626353_100011218213 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100000075568_100011218213 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.51 CSCSC(C)(C)C(=O)C 62a_100011218213_100000075568 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100000702505_100011218213 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.51 CSCSC(C)(C)C(=O)N 62a_100011218213_100000702505 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.51 O=C(O)C(F)(F)CNCF 269956a_100000734215_100015361967 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.60 CCCC(C)(C)C(=O)CC 1458a_100011215034_100000210202 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.60 CCCC(C)(C)C(=O)CF 1458a_100011215034_100015361967 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.60 CCCC(C)(C)C(=O)NC 11a_106832991635_100011215034 [0,2,0,0,0,0|2,0,0]=4 756 B9R0.60 CCCC(C)(C)C(=O)NC 1626a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.60 CCCC(C)(C)C(=O)NC 240690a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.60 CCCC(C)(C)C(=O)NC 527a_100102657272_100011215034 [0,2,0,0,0,0|2,0,0]=4 759 B9R0.60 CCNC(C)(C)C(=O)NC 2230a_100015525214_100000732697 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.60 CCNC(C)(C)C(=O)OC 2230a_100015525214_100000689032 [0,2,0,0,0,0|1,0,0]=3 761 B9R0.60 CCNC(C)(F)C(=O)OC 2230a_100015525214_200009867631 [0,2,0,0,0,0|1,0,0]=3 762 B9R0.60 CCOC(C)(C)C(=O)CC 1458a_100011458965_100000210202 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.60 CCOC(C)(C)C(=O)CF 1458a_100011458965_100015361967 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.60 CCOC(C)(C)C(=O)NC 11a_106832991635_100011458965 [0,2,0,0,0,0|2,0,0]=4 765 B9R0.60 CCOC(C)(C)C(=O)NC 1626a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.60 CCOC(C)(C)C(=O)NC 240690a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.60 CCOC(C)(C)C(=O)NC 34a_100121572206_100000732697 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.60 CCOC(C)(C)C(=O)NC 527a_100102657272_100011458965 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.60 CCOC(C)(C)C(=O)NN 34a_100000061348_100000210202 [0,2,0,0,0,0|2,0,0]=4 770 B9R0.60 CCOC(C)(C)C(=O)OC 34a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 771 B9R0.60 CCOC(C)(C)C(=O)OC 7a_100011217581_100000210202 [0,2,0,0,0,0|1,0,0]=3 772 B9R0.60 CCOC(C)(F)C(=O)OC 34a_100121572206_200009867631 [0,2,0,0,0,0|1,0,0]=3 773 B9R0.60 CCOC(F)(F)C(=O)OC 34a_100121572206_100000211177 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000210202_100000732697 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.60 CCSC(C)(C)C(=O)NC 62a_100000732697_100000210202 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000210202_100000689032 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.60 CCSC(C)(C)C(=O)OC 62a_100000689032_100000210202 [0,2,0,0,0,0|1,0,0]=3 778 B9R0.60 CCSC(C)(F)C(=O)OC 62a_100000210202_200009867631 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.60 CCSC(C)(F)C(=O)OC 62a_200009867631_100000210202 [0,2,0,0,0,0|1,0,0]=3 780 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000210202_100000211177 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.60 CCSC(F)(F)C(=O)OC 62a_100000211177_100000210202 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.60 CNC(=O)C(C)(C)COC 34a_100138415774_100000702813 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.60 CNC(=O)C(C)(C)CSC 62a_100000702813_200000210301 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.60 CNC(=O)C(C)(C)CSC 62a_200000210301_100000702813 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_100000702813_200025704644 [0,2,0,0,0,0|2,0,0]=4 786 B9R0.60 CNC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000702813 [0,2,0,0,0,0|2,0,0]=4 787 B9R0.60 CNCC(C)(C)C(=O)NC 34a_100102657272_100000702813 [0,2,0,0,0,0|2,0,0]=4 788 B9R0.60 CNCC(F)(F)C(=O)OC 34a_100102657272_100010295740 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 34a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 790 B9R0.60 COC(=O)C(C)(C)CO[13CH3] 7a_100000709632_200025704644 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.60 COC(=O)C(C)(C)CSC 62a_100000684552_200000210301 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.60 COC(=O)C(C)(C)CSC 62a_200000210301_100000684552 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_100000684552_200025704644 [0,2,0,0,0,0|1,0,0]=3 794 B9R0.60 COC(=O)C(C)(C)CS[13CH3] 62a_200025704644_100000684552 [0,2,0,0,0,0|1,0,0]=3 795 B9R0.60 COC(=O)C(C)(C)OCF 34a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.60 COC(=O)C(C)(C)OCF 7a_100011217581_100015361967 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.60 COC(=O)C(C)(C)SCF 62a_100000689032_100015361967 [0,2,0,0,0,0|2,0,0]=4 798 B9R0.60 COC(=O)C(C)(C)SCF 62a_100015361967_100000689032 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.60 COC(=O)C(C)(F)SCF 62a_100015361967_200009867631 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.60 COC(=O)C(C)(F)SCF 62a_200009867631_100015361967 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.60 COC(=O)C(F)(F)CSC 62a_100010295740_200000210301 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.60 COC(=O)C(F)(F)CSC 62a_200000210301_100010295740 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_100010295740_200025704644 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.60 COC(=O)C(F)(F)CS[13CH3] 62a_200025704644_100010295740 [0,2,0,0,0,0|2,0,0]=4 805 B9R0.60 COCC(C)(C)C(=O)OC 34a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 806 B9R0.60 COCC(C)(C)C(=O)OC 7a_100000709632_200000210301 [0,2,0,0,0,0|1,0,0]=3 807 B9R0.60 COCC(F)(F)C(=O)OC 34a_100138415774_100010295740 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.74 CCC(C)(NCF)C(=O)O 269956a_100025756313_100015361967 [0,2,0,0,0,0|0,0,0]=2 809 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [0,2,0,0,0,0|0,0,0]=2 813 B9R0.19 C#CCC(=O)C(C)(C)CC 1458a_100000749717_100000184674 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.19 C#CCC(=O)C(C)(O)CC 1458a_100011219770_100000184674 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.19 C=CCC(=O)C(C)(C)CC 1458a_100000749717_100000210623 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.19 C=CCC(=O)C(C)(O)CC 1458a_100011219770_100000210623 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.19 CC(C)(CF)C(=O)CCO 1458a_100000138116_100000211926 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.19 CC(C)(CO)C(=O)CCO 1458a_100000749806_100000211926 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.19 CCC(C)(C)C(=O)CC#N 1458a_100000749717_100011214920 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.19 CCC(C)(C)C(=O)CCF 1458a_100000749717_100011217306 [0,2,0,0,0,0|2,0,0]=4 821 B9R0.19 CCC(C)(C)C(=O)CCO 1458a_100000749717_100000211926 [0,2,0,0,0,0|1,0,0]=3 822 B9R0.19 CCC(C)(C)C(=O)NNC 22a_100016993582_100000749717 [0,2,0,0,0,0|2,0,0]=4 823 B9R0.19 CCC(C)(O)C(=O)CC#N 1458a_100011219770_100011214920 [0,2,0,0,0,0|2,0,0]=4 824 B9R0.19 CCC(C)(O)C(=O)CCF 1458a_100011219770_100011217306 [0,2,0,0,0,0|2,0,0]=4 825 B9R0.19 CCC(C)(O)C(=O)CCO 1458a_100011219770_100000211926 [0,2,0,0,0,0|1,0,0]=3 826 B9R0.19 CCC(C)(O)C(=O)NNC 22a_100016993582_100011219770 [0,2,0,0,0,0|2,0,0]=4 827 B9R0.19 CCC(F)(F)C(=O)CCO 1458a_100000061896_100000211926 [0,2,0,0,0,0|2,0,0]=4 828 B9R0.19 CCCC(=O)C(C)(C)CC 1458a_100000749717_100000210303 [0,2,0,0,0,0|2,0,0]=4 829 B9R0.19 CCCC(=O)C(C)(O)CC 1458a_100011219770_100000210303 [0,2,0,0,0,0|2,0,0]=4 830 B9R0.19 CCNC(=O)C(C)(C)CC 11a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 831 B9R0.19 CCNC(=O)C(C)(C)CC 240690a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.19 CCNC(=O)C(C)(C)CC 527a_100015525214_100000749717 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.19 CCNC(=O)C(C)(O)CC 240690a_100015525214_100011219770 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.19 CCOC(=O)C(C)(C)NC 2230a_106832991635_100011216345 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.19 CCOC(=O)C(C)(C)NC 7a_106832991635_100011216345 [0,2,0,0,0,0|2,0,0]=4 836 B9R0.19 CCOC(=O)C(C)(C)OC 34a_100000686869_200000210301 [0,2,0,0,0,0|2,0,0]=4 837 B9R0.19 CCOC(=O)C(C)(C)OC 7a_100000686869_200000210301 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 34a_100000686869_200025704644 [0,2,0,0,0,0|2,0,0]=4 839 B9R0.19 CCOC(=O)C(C)(C)O[13CH3] 7a_100000686869_200025704644 [0,2,0,0,0,0|2,0,0]=4 840 B9R0.19 CCOC(=O)C(C)(C)SC 62a_100011216345_200000210301 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.19 CCOC(=O)C(C)(C)SC 62a_200000210301_100011216345 [0,2,0,0,0,0|2,0,0]=4 842 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_100011216345_200025704644 [0,2,0,0,0,0|2,0,0]=4 843 B9R0.19 CCOC(=O)C(C)(C)S[13CH3] 62a_200025704644_100011216345 [0,2,0,0,0,0|2,0,0]=4 844 B9R0.19 COC(C)(C)C(=O)CCO 1458a_100000753492_100000211926 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.69 C#CC(=O)C(C)(CC)CC 1458a_100000211873_100009817345 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [0,2,0,0,0,0|2,0,0]=4 847 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000210414_100009817345 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.69 CCC(=O)C(C)(CC)CC 1458a_100000760562_100000210202 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.69 CCC(C)(CC)C(=O)CF 1458a_100000760562_100015361967 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.69 CCC(C)(CC)C(=O)CO 1458a_100000210174_100009817345 [0,2,0,0,0,0|1,0,0]=3 851 B9R0.69 CCC(C)(CC)C(=O)NC 11a_106832991635_100000760562 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.69 CCC(C)(CC)C(=O)NC 1626a_100102657272_100000760562 [0,2,0,0,0,0|2,0,0]=4 853 B9R0.69 CCC(C)(CC)C(=O)NC 240690a_100102657272_100000760562 [0,2,0,0,0,0|2,0,0]=4 854 B9R0.69 CCC(C)(CC)C(=O)NC 527a_100102657272_100000760562 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 2230a_100000729261_200025704644 [0,2,0,0,0,0|1,0,0]=3 856 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 34a_100000729261_200025704644 [0,2,0,0,0,0|1,0,0]=3 857 B9R0.76 CNC(C)(C(=O)N)C(C)C 2230a_100000729261_200000210301 [0,2,0,0,0,0|1,0,0]=3 858 B9R0.76 CNC(C)(C(=O)N)C(C)C 34a_100000729261_200000210301 [0,2,0,0,0,0|1,0,0]=3 859 B9R0.78 CCC(C#N)(CC)C(=O)C 1458a_100011499467_200000210301 [0,2,0,0,0,0|1,0,1]=4 860 B9R0.78 CCC(C#N)(CC)C(=O)[13CH3] 1458a_100011499467_200025704644 [0,2,0,0,0,0|1,0,1]=4 861 B9R0.78 CCC(CC)(CC)C(=O)C 1458a_100000070787_200010884430 [0,2,0,0,0,0|2,0,0]=4 862 B9R0.78 CCC(CC)(NC)C(=O)O 269956a_100000727939_200000210301 [0,2,0,0,0,0|0,0,0]=2 863 B9R0.78 CCC(CC)(N[13CH3])C(=O)O 269956a_100000727939_200025704644 [0,2,0,0,0,0|0,0,0]=2 864 B9R0.78 CCC(CO)(CO)C(=O)C 1458a_100000039496_200000210301 [0,2,0,0,0,0|2,0,0]=4 865 B9R0.78 CCC(CO)(CO)C(=O)[13CH3] 1458a_100000039496_200025704644 [0,2,0,0,0,0|2,0,0]=4 866 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 867 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 868 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 869 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 870 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 871 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 872 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 873 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,0]=3 874 B7R1.12 CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200000210301 [1,0,0,1,0,0|2,0,0]=4 875 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,0]=3 876 B7R1.12 [13CH3]C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_200025704644 [1,0,0,1,0,0|2,0,0]=4 877 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,0]=3 878 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,0]=3 879 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 880 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|2,0,0]=4 881 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|2,0,0]=4 882 B7R1.18 CC(=O)N1CCC1 11a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 883 B7R1.18 CC(=O)N1CCC1 240690a_100000754969_100015343762 [1,0,0,1,0,0|2,0,0]=4 884 B7R1.18 CC(=O)N1CCC1 527a_100000754969_100103153847 [1,0,0,1,0,0|2,0,0]=4 885 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,0]=3 886 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 887 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|2,0,0]=4 888 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|1,0,0]=3 889 B7R1.19 CC(=O)C1(CC1)F 1458a_100000055089_200000210301 [1,0,0,1,0,0|2,0,0]=4 890 B7R1.19 CC(=O)C1(CC1)O 1458a_100000241761_200000210301 [1,0,0,1,0,0|2,0,0]=4 891 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|1,0,0]=3 892 B7R1.19 [13CH3]C(=O)C1(CC1)F 1458a_100000055089_200025704644 [1,0,0,1,0,0|2,0,0]=4 893 B7R1.19 [13CH3]C(=O)C1(CC1)O 1458a_100000241761_200025704644 [1,0,0,1,0,0|2,0,0]=4 894 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [0,0,0,1,0,1|2,0,0]=4 895 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [0,0,0,1,0,1|2,0,0]=4 896 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [0,0,0,1,0,1|2,0,0]=4 897 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [0,0,0,1,0,1|2,0,0]=4 898 B9R1.128 CCC1(CO1)CC(=O)C 1458a_100000070787_200000139556 [0,0,0,1,0,1|2,0,0]=4 899 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [0,0,0,1,0,1|2,0,0]=4 900 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 901 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 902 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [0,0,0,1,0,1|2,0,0]=4 903 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [0,0,0,1,0,1|2,0,0]=4 904 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,1,0,1,0,0|2,0,0]=4 905 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,1,0,1,0,0|2,0,0]=4 906 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,1,0,1,0,0|2,0,0]=4 907 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,1,0,1,0,0|2,0,0]=4 908 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,1,0,1,0,0|2,0,0]=4 909 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,1,0,1,0,0|2,0,0]=4 910 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [0,1,0,1,0,0|2,0,0]=4 911 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [0,1,0,1,0,0|1,0,0]=3 912 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [0,1,0,1,0,0|2,0,0]=4 913 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [0,1,0,1,0,0|2,0,0]=4 914 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [0,1,0,1,0,0|2,0,0]=4 915 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [0,1,0,1,0,0|2,0,0]=4 916 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [0,1,0,1,0,0|2,0,0]=4 917 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [0,1,0,1,0,0|2,0,0]=4 918 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [0,1,0,1,0,0|2,0,0]=4 919 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [0,1,0,1,0,0|1,0,0]=3 920 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [0,1,0,1,0,0|2,0,0]=4 921 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [0,1,0,1,0,0|2,0,0]=4 922 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [0,1,0,1,0,0|2,0,0]=4 923 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [0,1,0,1,0,0|1,0,0]=3 924 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [0,1,0,1,0,0|2,0,0]=4 925 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [0,1,0,1,0,0|2,0,0]=4 926 B9R1.186 CC1(CCC1)C(=O)CF 1458a_100000684636_100015361967 [0,1,0,1,0,0|2,0,0]=4 927 B9R1.186 CCC(=O)C1(CCC1)C 1458a_100000684636_100000210202 [0,1,0,1,0,0|2,0,0]=4 928 B9R1.186 CCC(=O)C1(CCC1)O 1458a_100000242746_100000210202 [0,1,0,1,0,0|2,0,0]=4 929 B9R1.186 CNC(=O)C1(CCC1)C 11a_106832991635_100000684636 [0,1,0,1,0,0|2,0,0]=4 930 B9R1.186 CNC(=O)C1(CCC1)C 1626a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 931 B9R1.186 CNC(=O)C1(CCC1)C 240690a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 932 B9R1.186 CNC(=O)C1(CCC1)C 527a_100102657272_100000684636 [0,1,0,1,0,0|2,0,0]=4 933 B9R1.186 CNC(=O)C1(CCC1)O 240690a_100102657272_100000242746 [0,1,0,1,0,0|2,0,0]=4 934 B9R1.186 O=C(CF)C1(CCC1)O 1458a_100000242746_100015361967 [0,1,0,1,0,0|2,0,0]=4 935 B9R1.190 CNC1(CC1)C(=O)OC 34a_100102657272_100000698272 [0,1,0,1,0,0|2,0,0]=4 936 B9R1.190 CNC1(CC1)C(=O)OC 7a_106832991635_100000698272 [0,1,0,1,0,0|2,0,0]=4 937 B9R1.190 COC(=O)C1(CC1)OC 34a_100000719341_200000210301 [0,1,0,1,0,0|2,0,0]=4 938 B9R1.190 COC(=O)C1(CC1)OC 34a_100138415774_100000698272 [0,1,0,1,0,0|2,0,0]=4 939 B9R1.190 COC(=O)C1(CC1)OC 7a_100000719341_200000210301 [0,1,0,1,0,0|2,0,0]=4 940 B9R1.190 COC(=O)C1(CC1)O[13CH3] 34a_100000719341_200025704644 [0,1,0,1,0,0|2,0,0]=4 941 B9R1.190 COC(=O)C1(CC1)O[13CH3] 7a_100000719341_200025704644 [0,1,0,1,0,0|2,0,0]=4 942 B9R1.190 COC(=O)C1(CC1)SC 62a_100000698272_200000210301 [0,1,0,1,0,0|2,0,0]=4 943 B9R1.190 COC(=O)C1(CC1)SC 62a_200000210301_100000698272 [0,1,0,1,0,0|2,0,0]=4 944 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_100000698272_200025704644 [0,1,0,1,0,0|2,0,0]=4 945 B9R1.190 COC(=O)C1(CC1)S[13CH3] 62a_200025704644_100000698272 [0,1,0,1,0,0|2,0,0]=4 946 B9R1.119 CC(=O)C1(CCC1)C#N 1458a_100000752263_200000210301 [0,1,0,1,0,0|1,0,1]=4 947 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,1,0,1,0,0|2,0,0]=4 948 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,1,0,1,0,0|2,0,0]=4 949 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,1,0,1,0,0|2,0,0]=4 950 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,1,0,1,0,0|2,0,0]=4 951 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,1,0,1,0,0|0,0,0]=2 952 B9R1.119 [13CH3]C(=O)C1(CCC1)C#N 1458a_100000752263_200025704644 [0,1,0,1,0,0|1,0,1]=4 953 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,1,0,1,0,0|0,0,0]=2 954 B9R2.145 CC(=O)C12CC(C1)C2 1458a_100000137470_200000210301 [0,0,0,2,0,0|2,0,0]=4 955 B9R2.145 [13CH3]C(=O)C12CC(C1)C2 1458a_100000137470_200025704644 [0,0,0,2,0,0|2,0,0]=4 956 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,0,0,0,0,1|2,0,0]=4 957 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,0,0,0,0,1|2,0,0]=4 958 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,0,0,0,0,1|2,0,0]=4 959 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,0,0,0,0,1|2,0,0]=4 960 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,0,0,0,0,1|2,0,0]=4 961 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,0,0,0,0,1|2,0,0]=4 962 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,0,0,0,0,1|2,0,0]=4 963 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,0,0,0,0,1|2,0,0]=4 964 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,0,0,0,0,1|2,0,0]=4 965 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,0,0,0,0,1|1,0,1]=4 966 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,0,0,0,0,1|1,0,1]=4 967 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,0,0,0,0,1|1,0,0]=3 968 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,0,0,0,0,1|1,0,0]=3 969 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,0,0,0,0,1|1,0,0]=3 970 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,0,0,0,0,1|1,0,0]=3 971 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,0,0,0,0,1|1,0,0]=3 972 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,0,0,0,0,1|1,0,0]=3 973 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,0,0,0,0,1|1,0,0]=3 974 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,0,0,0,0,1|2,0,0]=4 975 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,0,0,0,0,1|2,0,0]=4 976 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,0,0,0,0,1|2,0,0]=4 977 B7R0.2 CCN(C)CC(=O)C 1458a_100116209913_200000210301 [1,0,0,0,0,1|2,0,0]=4 978 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [1,0,0,0,0,1|2,0,0]=4 979 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [1,0,0,0,0,1|2,0,0]=4 980 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [1,0,0,0,0,1|2,0,0]=4 981 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,0,0,0,0,1|1,0,0]=3 982 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,0,0,0,0,1|1,0,0]=3 983 B7R0.2 CCN(C)CC(=O)[13CH3] 1458a_100116209913_200025704644 [1,0,0,0,0,1|2,0,0]=4 984 B7R0.2 CCN(C)CC(=O)[O-] 269982a_100000225621_100020667443 [1,0,0,0,0,1|1,0,1]=4 985 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,0,0,0,0,1|1,0,0]=3 986 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,0,0,0,0,1|1,0,0]=3 987 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,0,0,0,0,1|2,0,0]=4 988 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,0,0,0,0,1|2,0,0]=4 989 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,0,0,0,0,1|2,0,0]=4 990 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,0,0,0,0,1|2,0,0]=4 991 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,0,0,0,0,1|2,0,0]=4 992 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,0,0,0,0,1|2,0,0]=4 993 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,0,0,0,0,1|2,0,0]=4 994 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,0,0,0,0,1|2,0,0]=4 995 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,0,0,0,0,1|2,0,0]=4 996 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,0,0,0,0,1|2,0,0]=4 997 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,0,0,0,0,1|2,0,0]=4 998 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [0,0,0,0,0,2|2,0,0]=4 999 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [0,0,0,0,0,2|1,0,0]=3 1000 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [0,0,0,0,0,2|2,0,0]=4 1001 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [0,0,0,0,0,2|2,0,0]=4 1002 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [0,0,0,0,0,2|2,0,0]=4 1003 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [0,0,0,0,0,2|1,0,1]=4 1004 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [0,0,0,0,0,2|1,0,1]=4