0 B7R0.16 CC(=O)C(C)C(=O)C 1458a_100000070787_100000179758 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.16 CC(=O)C(C)C(=O)N 1458a_100000070787_100000702099 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.16 CC(=O)C(F)C(=O)N 1458a_100000070787_100009813875 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.16 CC(=O)C(F)C(=O)[O-] 1458a_100000070787_100020610796 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.2 C=C(C)CC(=O)C 1458a_100000070787_100000748629 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.2 C=C(F)CC(=O)C 1458a_100000070787_100009893438 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.2 CC(=O)C=C(Cl)Cl 1458a_100000137448_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.2 CC(=O)CC(=O)N 1458a_100000070787_100000187820 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.2 CC(=O)CC(=O)N 1458a_100134613110_200000210301 [1,0,0,0,0,0|1,0,0]=2 33 B6R0.2 CC(=O)CC(=O)[O-] 1458a_100000070787_100020667443 [1,0,0,0,0,0|0,0,1]=2 34 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.2 CC(=O)CC(F)F 1458a_100000070787_100011934356 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|3,0,0]=4 39 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.2 CC(=O)C[N+](=O)[O-] 1458a_100000070787_100000761209 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|3,0,0]=4 48 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|3,0,0]=4 53 B6R0.2 [13CH3]C(=O)C=C(Cl)Cl 1458a_100000137448_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 [13CH3]C(=O)CC(=O)N 1458a_100134613110_200025704644 [1,0,0,0,0,0|1,0,0]=2 55 B6R0.3 C#CC(C)C(=O)C 1458a_100000070787_200000035995 [1,0,0,0,0,0|1,0,1]=3 56 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.3 C=C(C)C(C)NC 269862a_106832991636_100011216138 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.3 C=CC(C)C(=O)C 1458a_100011216780_200000210301 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.3 C=CC(C)C(=O)[13CH3] 1458a_100011216780_200025704644 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.3 C=CC(C)N(C)C 269982a_100102631434_100011215867 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.3 CC(=O)C(C)C#N 1458a_100000070787_100000703298 [1,0,0,0,0,0|1,0,1]=3 63 B6R0.3 CC(=O)C(C)C#N 1458a_100000753662_200000210301 [1,0,0,0,0,0|1,0,1]=3 64 B6R0.3 CC(=O)C(C)O[13CH3] 34a_100000212229_200025704644 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.3 CC(=O)C(C)S[13CH3] 62a_100009814033_200025704644 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.3 CC(=O)C(C)S[13CH3] 62a_200025704644_100009814033 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.3 CC(=O)C(O)CO 1458a_100011215603_200000210301 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.3 CC(C#N)C(=O)[13CH3] 1458a_100000753662_200025704644 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.3 CC(CO)N(C)C 2230a_100000693034_200000210301 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 CC(CO)N(C)C 2230a_100102631434_100012180447 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.3 CC(CO)N(C)C 269982a_100000693034_200000210301 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 CC(CO)N(C)[13CH3] 2230a_100000693034_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 CC(CO)N(C)[13CH3] 269982a_100000693034_200025704644 [1,0,0,0,0,0|2,0,1]=4 74 B6R0.3 CC(S[13CH3])C(=O)N 62a_100000702099_200025704644 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(S[13CH3])C(=O)N 62a_200025704644_100000702099 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|2,0,1]=4 82 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.3 CNC(C)C(=O)C 2230a_106832991635_100009814033 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.3 CNC(C)C(=O)C 7a_106832991635_100000179758 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.3 CNC(C)C(=O)N 2230a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.3 CNC(C)C(=O)N 34a_100102657272_100000702099 [1,0,0,0,0,0|2,0,0]=3 89 B6R0.3 CNC(C)C(=O)N 7a_106832991635_100000702099 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.3 CNC(F)C(=O)N 2230a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.3 CNC(F)C(=O)N 34a_100102657272_100009813875 [1,0,0,0,0,0|3,0,0]=4 92 B6R0.3 CNC(F)C(=O)N 7a_106832991635_100009813875 [1,0,0,0,0,0|3,0,0]=4 93 B6R0.3 CNC(F)C(=O)[O-] 34a_100102657272_100020610796 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|1,0,0]=2 95 B6R0.3 CN[C@H](C)C(=O)N 2230a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B6R0.3 CN[C@H](C)C(=O)N 34a_100000119354_200000210301 [1,0,0,0,0,0|2,0,0]=3 97 B6R0.3 COC(C)C(=O)C 1458a_100000743197_200000210301 [1,0,0,0,0,0|2,0,0]=3 98 B6R0.3 COC(C)C(=O)C 34a_100000212229_200000210301 [1,0,0,0,0,0|2,0,0]=3 99 B6R0.3 COC(C)C(=O)N 34a_100138415774_100000702099 [1,0,0,0,0,0|2,0,0]=3 100 B6R0.3 COC(C)C(=O)[13CH3] 1458a_100000743197_200025704644 [1,0,0,0,0,0|2,0,0]=3 101 B6R0.3 COC(F)C(=O)N 34a_100138415774_100009813875 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.3 COC(F)C(=O)[O-] 34a_100138415774_100020610796 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.3 CO[C@@H](C)C(=O)[O-] 7a_217856618621_200000210301 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.3 CO[C@H](C)C(=O)N 34a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.3 CO[C@H](C)C(=O)N 7a_100000731257_200000210301 [1,0,0,0,0,0|2,0,0]=3 106 B6R0.3 CSC(C)C(=O)C 1458a_100000149566_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.3 CSC(C)C(=O)C 62a_100009814033_200000210301 [1,0,0,0,0,0|2,0,0]=3 108 B6R0.3 CSC(C)C(=O)C 62a_200000210301_100009814033 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.3 CSC(C)C(=O)N 62a_100000702099_200000210301 [1,0,0,0,0,0|2,0,0]=3 110 B6R0.3 CSC(C)C(=O)N 62a_200000210301_100000702099 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.3 CSC(C)C(=O)[13CH3] 1458a_100000149566_200025704644 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.3 CSC(F)C(=O)N 62a_100009813875_200000210301 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.3 CSC(F)C(=O)N 62a_200000210301_100009813875 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.3 CSC(F)C(=O)[O-] 62a_100020610796_200000210301 [1,0,0,0,0,0|2,0,1]=4 115 B6R0.3 CSC(F)C(=O)[O-] 62a_200000210301_100020610796 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.3 C[C@@H](N[13CH3])C(=O)N 2230a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.3 C[C@@H](N[13CH3])C(=O)N 34a_100000119354_200025704644 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.3 C[C@@H](O[13CH3])C(=O)N 34a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 C[C@@H](O[13CH3])C(=O)N 7a_100000731257_200025704644 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.3 C[C@H](CO)N(C)C 269982a_100102631434_100016084084 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.3 C[C@H](O[13CH3])C(=O)[O-] 7a_217856618621_200025704644 [1,0,0,0,0,0|1,0,1]=3 123 B6R0.3 [13CH3]C(=O)C(O)CO 1458a_100011215603_200025704644 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.3 [13CH3]SC(F)C(=O)N 62a_100009813875_200025704644 [1,0,0,0,0,0|3,0,0]=4 125 B6R0.3 [13CH3]SC(F)C(=O)N 62a_200025704644_100009813875 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_100020610796_200025704644 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.3 [13CH3]SC(F)C(=O)[O-] 62a_200025704644_100020610796 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.2 C#CC(=O)C(C)C(=O)C 1458a_100000211873_100000179758 [0,1,0,0,0,0|1,0,0]=2 129 B8R0.2 C#CC(=O)C(C)C(=O)N 1458a_100000211873_100000702099 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.2 C#CC(=O)C(F)C(=O)N 1458a_100000211873_100009813875 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.2 C#CC(=O)C(F)C(=O)[O-] 1458a_100000211873_100020610796 [0,1,0,0,0,0|1,0,2]=4 132 B8R0.2 C=CC(=O)C(C)C(=O)C 1458a_100000185746_100000179758 [0,1,0,0,0,0|1,0,0]=2 133 B8R0.2 C=CC(=O)C(C)C(=O)N 1458a_100000185746_100000702099 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.2 C=CC(=O)C(F)C(=O)N 1458a_100000185746_100009813875 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.2 C=CC(=O)C(F)C(=O)[O-] 1458a_100000185746_100020610796 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.2 CC(=O)C(C)C(=O)CO 1458a_100000210174_100000179758 [0,1,0,0,0,0|0,0,0]=1 137 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200000210301 [0,1,0,0,0,0|1,0,2]=4 140 B8R0.2 CC(C(=O)N)C(=O)CO 1458a_100000210174_100000702099 [0,1,0,0,0,0|1,0,0]=2 141 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,0]=3 142 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.2 CCC(=O)C(C)C(=O)N 1458a_100000210414_100000702099 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.2 CCC(=O)C(C)N(C)C 2230a_100102631434_100000742827 [0,1,0,0,0,0|3,0,0]=4 150 B8R0.2 CCC(=O)C(C)N(C)C 269982a_100102631434_100000742827 [0,1,0,0,0,0|3,0,0]=4 151 B8R0.2 CCC(=O)C(F)C(=O)N 1458a_100000210414_100009813875 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.2 CCC(=O)C(F)C(=O)[O-] 1458a_100000210414_100020610796 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.2 CCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210202 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.2 CCN(C)C(C)C(=O)C 1458a_100011281945_200000210301 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.2 CCN(C)C(C)C(=O)C 2230a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.2 CCN(C)C(C)C(=O)C 269982a_100000225621_100009814033 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100000225621_100000702099 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.2 CCN(C)C(C)C(=O)N 2230a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100000225621_100000184083 [0,1,0,0,0,0|3,0,0]=4 160 B8R0.2 CCN(C)C(C)C(=O)N 269982a_100020603310_200000210301 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.2 CCN(C)C(C)C(=O)[13CH3] 1458a_100011281945_200025704644 [0,1,0,0,0,0|3,0,0]=4 163 B8R0.2 CCN([13CH3])C(C)C(=O)N 2230a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.2 CCN([13CH3])C(C)C(=O)N 269982a_100020603310_200025704644 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.2 CNC(=O)C(C)C(=O)C 1458a_100000070787_100000209862 [0,1,0,0,0,0|1,0,0]=2 166 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.2 CNC(=O)C(C)N(C)C 2230a_100102631434_100000731044 [0,1,0,0,0,0|3,0,0]=4 171 B8R0.2 CNC(=O)C(C)N(C)C 269982a_100102631434_100000209862 [0,1,0,0,0,0|3,0,0]=4 172 B8R0.2 CNC(=O)C(F)C(=O)C 1458a_100000070787_100009813575 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.2 CNC(=O)[C@H](C)N(C)C 240690a_100102657272_100009822176 [0,1,0,0,0,0|3,0,0]=4 174 B8R0.2 CNC(=O)[C@H](C)N(C)C 527a_100102657272_100009822176 [0,1,0,0,0,0|3,0,0]=4 175 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100000070787_100000211248 [0,1,0,0,0,0|0,0,0]=1 176 B8R0.2 COC(=O)C(C)C(=O)C 1458a_100012027023_200000210301 [0,1,0,0,0,0|0,0,0]=1 177 B8R0.2 COC(=O)C(C)C(=O)[13CH3] 1458a_100012027023_200025704644 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,0|2,0,0]=3 179 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,0|2,0,0]=3 180 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,0|2,0,0]=3 181 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,0|2,0,0]=3 182 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,0|2,0,0]=3 183 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.2 C[C@@H](C(=O)CF)N(C)C 1458a_100009822176_100015361967 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.2 NC(=O)C(F)C(=O)CO 1458a_100000210174_100009813875 [0,1,0,0,0,0|2,0,0]=3 186 B8R0.2 O=C([O-])C(F)C(=O)CO 1458a_100000210174_100020610796 [0,1,0,0,0,0|1,0,1]=3 187 B8R0.2 [13CH3]C(=O)[C@H](O)[C@H](O)CO 1458a_100015448053_200025704644 [0,1,0,0,0,0|1,0,2]=4 188 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_100000210371_200025704644 [0,1,0,0,0,0|1,0,0]=2 189 B8R0.18 CC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210371 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,0,0|0,0,2]=3 194 B8R0.18 CCC(C(=O)C)C(=O)N 1458a_100000070787_100000750255 [0,1,0,0,0,0|1,0,0]=2 195 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,1,0,0,0,0|3,0,0]=4 199 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,1,0,0,0,0|3,0,0]=4 201 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,0,0|2,0,0]=3 204 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.18 CNC(C(=O)N)C(=O)N 2230a_100000025885_200000210301 [0,1,0,0,0,0|2,0,0]=3 206 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,0,0|0,0,2]=3 209 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,0,0|1,0,1]=3 210 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,1,0,0,0,0|1,0,2]=4 211 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,0,0|2,0,1]=4 212 B8R0.18 CSC(C(=O)C)C(=O)C 62a_100000210371_200000210301 [0,1,0,0,0,0|1,0,0]=2 213 B8R0.18 CSC(C(=O)C)C(=O)C 62a_200000210301_100000210371 [0,1,0,0,0,0|1,0,0]=2 214 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,0,0|2,0,1]=4 215 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,0,0|2,0,1]=4 216 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,1,0,0,0,0|1,0,2]=4 217 B8R0.18 [13CH3]NC(C(=O)N)C(=O)N 2230a_100000025885_200025704644 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.27 CC(=O)C(C)C(F)(F)F 1458a_100000137572_200000210301 [0,1,0,0,0,0|2,0,1]=4 219 B8R0.27 CC(C(=O)[13CH3])C(F)(F)F 1458a_100000137572_200025704644 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.37 C=C(Cl)C(C)(C)C(=O)C 1458a_100000049003_200000210301 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.37 C=C(Cl)C(C)(C)C(=O)[13CH3] 1458a_100000049003_200025704644 [0,1,0,0,0,0|2,0,0]=3 222 B8R0.37 CC(=O)C(C)(C)N(C)C 1458a_100000688961_200000210301 [0,1,0,0,0,0|3,0,0]=4 223 B8R0.37 CC(=O)C(C)(C)N(C)C 269982a_100102631434_100000075568 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.37 CC(=O)C(F)(F)C(=O)N 1458a_100000070787_100009811971 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.37 CN(C)C(C)(C)C(=O)N 2230a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 226 B8R0.37 CN(C)C(C)(C)C(=O)N 269982a_100102631434_100000702505 [0,1,0,0,0,0|3,0,0]=4 227 B8R0.37 CN(C)C(C)(C)C(=O)[13CH3] 1458a_100000688961_200025704644 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.31 CC(=O)C1CCC1=O 1458a_100000070787_100009892977 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.31 CN(C)C1CCC1=O 269982a_100102631434_100009892977 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.50 Cc1[nH]nc(c1C)O 271570a_203496583355_100015309786 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.50 Cc1cnc(n1C)O 271570a_203496583355_100009816807 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.50 Cc1ncc(n1C)O 271570a_203496583355_100000762843 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.50 Cc1scc(c1C)O 271570a_203496583355_100009820295 [0,0,0,1,0,0|1,1,1]=4 236 B8R1.77 CC(=O)C1CC1(F)F 1458a_100000042250_200000210301 [0,0,0,1,0,0|2,0,1]=4 237 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.77 [13CH3]C(=O)C1CC1(F)F 1458a_100000042250_200025704644 [0,0,0,1,0,0|2,0,1]=4 240 B8R0.23 C=C(C)CN(C)C(=O)C 11a_100000225649_100015343762 [0,0,0,0,0,1|3,0,0]=4 241 B8R0.23 C=C(C)CN(C)C(=O)C 1626a_100000225649_100015343762 [0,0,0,0,0,1|3,0,0]=4 242 B8R0.23 C=C(C)CN(C)C(=O)C 527a_100000225649_100103153847 [0,0,0,0,0,1|3,0,0]=4 243 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,1|2,0,1]=4 244 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [0,0,0,0,0,1|3,0,0]=4 245 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,1|2,0,1]=4 246 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,1|2,0,1]=4 247 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,1|2,0,1]=4 248 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,1|2,0,1]=4 249 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,1|2,0,1]=4 250 B8R0.23 CC(=O)CC(C)N(C)C 1458a_100011311895_200000210301 [0,0,0,0,0,1|3,0,0]=4 251 B8R0.23 CC(=O)CN(C)C(=O)C 1458a_100000194957_200000210301 [0,0,0,0,0,1|2,0,0]=3 252 B8R0.23 CC(=O)CN(C)C(=O)N 1458a_100000218718_200000210301 [0,0,0,0,0,1|2,0,0]=3 253 B8R0.23 CC(=O)N(C)CC(=O)N 11a_100000739694_100015343762 [0,0,0,0,0,1|2,0,0]=3 254 B8R0.23 CC(=O)N(C)CC(=O)N 527a_100000739694_100103153847 [0,0,0,0,0,1|2,0,0]=3 255 B8R0.23 CC(=O)N(C)CC(=O)[13CH3] 1458a_100000194957_200025704644 [0,0,0,0,0,1|2,0,0]=3 256 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [0,0,0,0,0,1|2,0,1]=4 257 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [0,0,0,0,0,1|2,0,1]=4 258 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 260 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 261 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,0,0,0,1|2,0,1]=4 262 B8R0.23 CC(=O)N[C@H](C)C(=O)C 1458a_100011504603_200000210301 [0,0,0,0,0,1|1,0,0]=2 263 B8R0.23 CC(=O)N[C@H](C)C(=O)N 11a_100000119354_100015343762 [0,0,0,0,0,1|1,0,0]=2 264 B8R0.23 CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100015343762 [0,0,0,0,0,1|1,0,0]=2 265 B8R0.23 CC(=O)N[C@H](C)C(=O)N 527a_100000119354_100103153847 [0,0,0,0,0,1|1,0,0]=2 266 B8R0.23 CC(=O)N[C@H](C)C(=O)[13CH3] 1458a_100011504603_200025704644 [0,0,0,0,0,1|1,0,0]=2 267 B8R0.23 CC(=O)OC(C)C(=O)C 1458a_100000070787_100009818208 [0,0,0,0,0,1|1,0,0]=2 268 B8R0.23 CC(=O)OC(C)N(C)C 269982a_100102631434_100009818208 [0,0,0,0,0,1|3,0,0]=4 269 B8R0.23 CC(=O)O[C@@H](C)C(=O)C 1458a_100009816467_200000210301 [0,0,0,0,0,1|1,0,0]=2 270 B8R0.23 CC(=O)O[C@@H](C)C(=O)[13CH3] 1458a_100009816467_200025704644 [0,0,0,0,0,1|1,0,0]=2 271 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,0,0,0,1|2,0,1]=4 272 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,1|2,0,1]=4 273 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,1|2,0,1]=4 274 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,1|1,0,1]=3 275 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,1|2,0,1]=4 276 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,1|2,0,1]=4 277 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,1|2,0,1]=4 278 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,1|1,0,2]=4 279 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,1|2,0,1]=4 280 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,1|2,0,1]=4 281 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,1|2,0,1]=4 282 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,1|2,0,1]=4 283 B8R0.23 CC(CC(=O)[13CH3])N(C)C 1458a_100011311895_200025704644 [0,0,0,0,0,1|3,0,0]=4 284 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [0,0,0,0,0,1|3,0,0]=4 285 B8R0.23 CN(CC(=O)[13CH3])C(=O)N 1458a_100000218718_200025704644 [0,0,0,0,0,1|2,0,0]=3 286 B5R0.1 C#CCC(=O)C 1458a_100000070787_100000184674 [2,0,0,0,0,0|1,0,1]=4 287 B5R0.1 C#CCC(=O)C 1458a_100011220946_200000210301 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 C#CCC(=O)[13CH3] 1458a_100011220946_200025704644 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 C=CCC(=O)C 1458a_100000070787_100000210623 [2,0,0,0,0,0|1,0,0]=3 290 B5R0.1 C=CCC(=O)C 1458a_100000210193_200000210301 [2,0,0,0,0,0|1,0,0]=3 291 B5R0.1 C=CCC(=O)[13CH3] 1458a_100000210193_200025704644 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.1 CC(=O)C=CBr 1458a_100016273825_200000210301 [2,0,0,0,0,0|1,0,1]=4 293 B5R0.1 CC(=O)C=CCl 1458a_200016279998_200000210301 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.1 CC(=O)C=CI 1458a_100016256311_200000210301 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.1 CC(=O)CC#N 1458a_100000070787_100011214920 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.1 CC(=O)CC#N 1458a_100051588842_200000210301 [2,0,0,0,0,0|1,0,1]=4 297 B5R0.1 CC(=O)CCF 1458a_100000070787_100011217306 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.1 CC(=O)CCO 1458a_100000070787_100000211926 [2,0,0,0,0,0|0,0,1]=3 299 B5R0.1 CC(=O)CCO 1458a_100011216618_200000210301 [2,0,0,0,0,0|0,0,1]=3 300 B5R0.1 CC(=O)CO[13CH3] 34a_100000211253_200025704644 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 302 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,1]=4 304 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,1]=4 306 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 307 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|2,0,0]=4 308 B5R0.1 CNCC(=O)N 2230a_100000711301_200000210301 [2,0,0,0,0,0|2,0,0]=4 309 B5R0.1 CNCC(=O)N 2230a_106832991635_100000747473 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.1 CNCC(=O)N 34a_100102657272_100000187820 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.1 CNCC(=O)N 7a_106832991635_100000187820 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,0]=3 313 B5R0.1 CNCC(=O)[O-] 34a_100102657272_100020667443 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.1 COCC(=O)C 1458a_100000210968_200000210301 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 COCC(=O)C 34a_100000211253_200000210301 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.1 COCC(=O)N 34a_100138415774_100000187820 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.1 COCC(=O)[13CH3] 1458a_100000210968_200025704644 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.1 COCC(=O)[O-] 34a_100138415774_100020667443 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.1 CSCC(=O)C 1458a_100000184570_200000210301 [2,0,0,0,0,0|2,0,0]=4 320 B5R0.1 CSCC(=O)N 62a_100000747473_200000210301 [2,0,0,0,0,0|2,0,0]=4 321 B5R0.1 CSCC(=O)N 62a_200000210301_100000747473 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.1 CSCC(=O)[13CH3] 1458a_100000184570_200025704644 [2,0,0,0,0,0|2,0,0]=4 323 B5R0.1 CSCC(=O)[O-] 62a_100020667443_200000210301 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.1 CSCC(=O)[O-] 62a_200000210301_100020667443 [2,0,0,0,0,0|1,0,1]=4 325 B5R0.1 [13CH3]C(=O)C=CBr 1458a_100016273825_200025704644 [2,0,0,0,0,0|1,0,1]=4 326 B5R0.1 [13CH3]C(=O)C=CCl 1458a_200016279998_200025704644 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.1 [13CH3]C(=O)C=CI 1458a_100016256311_200025704644 [2,0,0,0,0,0|1,0,1]=4 328 B5R0.1 [13CH3]C(=O)CC#N 1458a_100051588842_200025704644 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.1 [13CH3]C(=O)CCO 1458a_100011216618_200025704644 [2,0,0,0,0,0|0,0,1]=3 330 B5R0.1 [13CH3]NCC(=O)N 2230a_100000711301_200025704644 [2,0,0,0,0,0|2,0,0]=4 331 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,0]=3 332 B5R0.1 [13CH3]SCC(=O)N 62a_100000747473_200025704644 [2,0,0,0,0,0|2,0,0]=4 333 B5R0.1 [13CH3]SCC(=O)N 62a_200025704644_100000747473 [2,0,0,0,0,0|2,0,0]=4 334 B5R0.1 [13CH3]SCC(=O)[O-] 62a_100020667443_200025704644 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.1 [13CH3]SCC(=O)[O-] 62a_200025704644_100020667443 [2,0,0,0,0,0|1,0,1]=4 336 B5R0.3 C=CC(C)OC 34a_100000695699_200000210301 [2,0,0,0,0,0|2,0,0]=4 337 B5R0.3 C=CC(C)O[13CH3] 34a_100000695699_200025704644 [2,0,0,0,0,0|2,0,0]=4 338 B5R0.3 C=CC(C)SC 62a_100011215867_200000210301 [2,0,0,0,0,0|2,0,0]=4 339 B5R0.3 C=CC(C)S[13CH3] 62a_100011215867_200025704644 [2,0,0,0,0,0|2,0,0]=4 340 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|1,0,1]=4 341 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 342 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|1,0,1]=4 344 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|1,0,1]=4 345 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|1,0,1]=4 346 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|1,0,1]=4 349 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|1,0,1]=4 350 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|1,0,1]=4 351 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|0,0,1]=3 353 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|0,0,1]=3 354 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|0,0,1]=3 355 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|0,0,1]=3 356 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|1,0,0]=3 357 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [2,0,0,0,0,0|1,0,0]=3 358 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 361 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|1,0,1]=4 362 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|0,0,0]=2 363 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|0,0,0]=2 364 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|0,0,1]=3 365 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|0,0,0]=2 367 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|0,0,0]=2 368 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [2,0,0,0,0,0|1,0,0]=3 369 B7R0.2 C#CC(=O)CC(=C)C 1458a_100000211873_100000748629 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.2 C#CC(=O)CC(=O)N 1458a_100000211873_100000187820 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.2 C#CC(=O)CC(=O)[O-] 1458a_100000211873_100020667443 [1,1,0,0,0,0|0,0,2]=4 372 B7R0.2 C=C(C#N)CC(=O)C 1458a_100000070787_100000694840 [1,1,0,0,0,0|2,0,0]=4 373 B7R0.2 C=C(C)CC(=O)CC 1458a_100000210414_100000748629 [1,1,0,0,0,0|2,0,0]=4 374 B7R0.2 C=C(C)CC(=O)CO 1458a_100000210174_100000748629 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.2 C=C(F)CC(=O)CC 1458a_100000210414_100009893438 [1,1,0,0,0,0|2,0,0]=4 376 B7R0.2 C=C(F)CC(=O)CO 1458a_100000210174_100009893438 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.2 C=CC(=O)CC(=C)C 1458a_100000185746_100000748629 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.2 C=CC(=O)CC(=O)N 1458a_100000185746_100000187820 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.2 C=CC(=O)CC(=O)[O-] 1458a_100000185746_100020667443 [1,1,0,0,0,0|0,0,2]=4 380 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|0,0,2]=4 383 B7R0.2 CCC(=O)CC(=O)C 1458a_100000070787_100000747405 [1,1,0,0,0,0|1,0,0]=3 384 B7R0.2 CCC(=O)CC(=O)N 1458a_100000210414_100000187820 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.2 CCC(=O)CC(=O)N 1458a_100134613110_100000210202 [1,1,0,0,0,0|1,0,0]=3 386 B7R0.2 CCC(=O)CC(=O)[O-] 1458a_100000210414_100020667443 [1,1,0,0,0,0|0,0,1]=3 387 B7R0.2 CCC(=O)CC(C)O 1458a_100000210414_100011218427 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.2 CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210202 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.2 CCC(=O)C[N+](=O)[O-] 1458a_100000210414_100000761209 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.2 CCC(O)CC(=O)C 1458a_100000070787_100011218378 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.2 CCC(O)CC(=O)C 1458a_100011667805_200000210301 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.2 CCC(O)CC(=O)[13CH3] 1458a_100011667805_200025704644 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|2,0,0]=4 394 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|2,0,0]=4 395 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|2,0,0]=4 396 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.2 CNC(=O)CC(=O)C 1458a_100000070787_100000183359 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.2 CNC(=O)CC(=O)N 240690a_100102657272_100134613110 [1,1,0,0,0,0|1,0,0]=3 399 B7R0.2 CNC(=O)CC(=O)N 527a_100102657272_100134613110 [1,1,0,0,0,0|1,0,0]=3 400 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.2 COC(=O)CC(=O)C 1458a_100000070787_100000747449 [1,1,0,0,0,0|0,0,0]=2 402 B7R0.2 COC(=O)CC(=O)C 1458a_100000211351_200000210301 [1,1,0,0,0,0|0,0,0]=2 403 B7R0.2 COC(=O)CC(=O)[13CH3] 1458a_100000211351_200025704644 [1,1,0,0,0,0|0,0,0]=2 404 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|2,0,0]=4 407 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.2 C[C@@H](O)CC(=O)CF 1458a_100011933948_100015361967 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.2 NC(=O)CC(=O)CF 1458a_100134613110_100015361967 [1,1,0,0,0,0|1,0,0]=3 410 B7R0.2 NC(=O)CC(=O)CO 1458a_100000210174_100000187820 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.2 O=C(CO)C[N+](=O)[O-] 1458a_100000210174_100000761209 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.2 O=C([O-])CC(=O)CO 1458a_100000210174_100020667443 [1,1,0,0,0,0|0,0,1]=3 413 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.9 CC(=O)CS(=O)(=O)C 1458a_100000744497_200000210301 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.9 CC(=O)CS(=O)(=O)N 1458a_100000070787_100000741382 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.9 CC(=O)CS(=O)(=O)[O-] 1458a_100000070787_100009817235 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.9 CS(=O)(=O)CC(=O)[13CH3] 1458a_100000744497_200025704644 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.5 C=CCC(C)C(=O)C 1458a_100011216819_200000210301 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.5 C=CCC(C)C(=O)[13CH3] 1458a_100011216819_200025704644 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.5 C=CCN(C)C(=O)C 11a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 422 B7R0.5 C=CCN(C)C(=O)C 1626a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 423 B7R0.5 C=CCN(C)C(=O)C 240690a_100000225617_100015343762 [1,1,0,0,0,0|2,0,0]=4 424 B7R0.5 C=CCN(C)C(=O)C 527a_100000225617_100103153847 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.5 CC(=O)C(C)CC#N 1458a_100000070787_100009813641 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,1,0,0,0,0|0,0,1]=3 427 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,1,0,0,0,0|0,0,1]=3 428 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.5 CC(=O)C(C)OCF 34a_100000212229_100015361967 [1,1,0,0,0,0|1,0,1]=4 430 B7R0.5 CC(=O)C(C)SCF 62a_100009814033_100015361967 [1,1,0,0,0,0|1,0,1]=4 431 B7R0.5 CC(=O)C(C)SCF 62a_100015361967_100009814033 [1,1,0,0,0,0|1,0,1]=4 432 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,1,0,0,0,0|1,0,1]=4 434 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|0,0,1]=3 435 B7R0.5 CC(SCF)C(=O)N 62a_100000702099_100015361967 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.5 CC(SCF)C(=O)N 62a_100015361967_100000702099 [1,1,0,0,0,0|2,0,0]=4 437 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|1,0,1]=4 438 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|1,0,1]=4 439 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,1,0,0,0,0|1,0,1]=4 442 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|0,0,1]=3 445 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,1,0,0,0,0|1,0,1]=4 448 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,1,0,0,0,0|1,0,1]=4 449 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [1,1,0,0,0,0|1,0,1]=4 450 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [1,1,0,0,0,0|0,0,2]=4 452 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [1,1,0,0,0,0|1,0,1]=4 454 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,1,0,0,0,0|1,0,1]=4 455 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,1,0,0,0,0|1,0,1]=4 457 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [1,1,0,0,0,0|1,0,1]=4 458 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [1,1,0,0,0,0|1,0,1]=4 459 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|0,0,1]=3 461 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,1]=4 462 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,1,0,0,0,0|1,0,1]=4 464 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,1,0,0,0,0|0,0,1]=3 465 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,1,0,0,0,0|0,0,1]=3 466 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,1,0,0,0,0|0,0,1]=3 467 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,1,0,0,0,0|0,0,1]=3 468 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,1,0,0,0,0|0,0,1]=3 469 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,1,0,0,0,0|0,1,1]=4 470 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,1,0,0,0,0|0,1,1]=4 471 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|1,0,1]=4 477 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|1,0,1]=4 478 B7R0.10 C#CC(C)C(=O)CC 1458a_100000210414_200000035995 [1,1,0,0,0,0|1,0,1]=4 479 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/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.10 C/C=C(\C)/C(=O)CF 1458a_100020587367_100015361967 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.10 C/C=C(\C)/C(=O)NC 11a_106832991635_100020587367 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.10 C/C=C(\C)/C(=O)NC 1626a_100102657272_100020587367 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,1]=4 485 B7R0.10 C=CC(C)C(=O)CC 1458a_100011216780_100000210202 [1,1,0,0,0,0|1,0,0]=3 486 B7R0.10 C=CC(C)C(=O)CF 1458a_100011216780_100015361967 [1,1,0,0,0,0|1,0,0]=3 487 B7R0.10 C=CC(C)C(=O)NC 11a_106832991635_100011216780 [1,1,0,0,0,0|1,0,0]=3 488 B7R0.10 C=CC(C)C(=O)NC 1626a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 489 B7R0.10 C=CC(C)C(=O)NC 240690a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.10 C=CC(C)C(=O)NC 527a_100102657272_100011216780 [1,1,0,0,0,0|1,0,0]=3 491 B7R0.10 CC(C#N)C(=O)CF 1458a_100000753662_100015361967 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.10 CCC(=O)C(C)C#N 1458a_100000210414_100000703298 [1,1,0,0,0,0|1,0,1]=4 495 B7R0.10 CCC(=O)C(C)C#N 1458a_100000753662_100000210202 [1,1,0,0,0,0|1,0,1]=4 496 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|2,0,0]=4 500 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|1,0,1]=4 507 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,1]=3 509 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|1,0,1]=4 510 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|1,0,1]=4 512 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|1,0,1]=4 513 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,0,1]=4 514 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,0,1]=4 515 B7R0.10 CNC(=O)C(C)C#N 11a_106832991635_100000753662 [1,1,0,0,0,0|1,0,1]=4 516 B7R0.10 CNC(=O)C(C)C#N 1626a_100102657272_100000753662 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.10 CNC(=O)C(C)C#N 240690a_100102657272_100000753662 [1,1,0,0,0,0|1,0,1]=4 518 B7R0.10 CNC(=O)C(C)C#N 527a_100102657272_100000753662 [1,1,0,0,0,0|1,0,1]=4 519 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 522 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 523 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 524 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 531 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 532 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 533 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.10 CNC(=O)C(O)CO 240690a_100102657272_100011215603 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 539 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 540 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 541 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|1,0,0]=3 542 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|1,0,0]=3 543 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|1,0,0]=3 544 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|1,0,0]=3 545 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|1,0,0]=3 546 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|1,0,0]=3 547 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|1,0,0]=3 548 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|1,0,0]=3 549 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|1,0,0]=3 550 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.10 O=C(CF)C(O)CO 1458a_100011215603_100015361967 [1,1,0,0,0,0|1,0,1]=4 554 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000070787_100000038118 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.13 C#CC(C)(C)C(=O)C 1458a_100000079900_200000210301 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.13 C#CC(C)(C)C(=O)[13CH3] 1458a_100000079900_200025704644 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.13 C=CC(C)(C)C(=O)C 1458a_100012027013_200000210301 [1,1,0,0,0,0|1,0,0]=3 558 B7R0.13 C=CC(C)(C)C(=O)[13CH3] 1458a_100012027013_200025704644 [1,1,0,0,0,0|1,0,0]=3 559 B7R0.13 CC(=O)C(C)(C)C#N 1458a_100000740761_200000210301 [1,1,0,0,0,0|1,0,1]=4 560 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [1,1,0,0,0,0|1,0,1]=4 561 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,1,0,0,0,0|0,0,1]=3 562 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [1,1,0,0,0,0|2,0,0]=4 563 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.13 CC(C)(C#N)C(=O)[13CH3] 1458a_100000740761_200025704644 [1,1,0,0,0,0|1,0,1]=4 567 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,1,0,0,0,0|0,0,1]=3 569 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,1,0,0,0,0|1,0,1]=4 576 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,1,0,0,0,0|1,0,1]=4 577 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,1,0,0,0,0|1,0,1]=4 578 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,1,0,0,0,0|1,0,1]=4 579 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [1,1,0,0,0,0|2,0,0]=4 580 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [1,1,0,0,0,0|2,0,0]=4 588 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [1,1,0,0,0,0|2,0,0]=4 589 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [1,1,0,0,0,0|2,0,0]=4 590 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [1,1,0,0,0,0|2,0,0]=4 591 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [1,1,0,0,0,0|2,0,0]=4 592 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [1,1,0,0,0,0|2,0,0]=4 593 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [1,1,0,0,0,0|2,0,0]=4 594 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [1,1,0,0,0,0|2,0,0]=4 595 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [1,1,0,0,0,0|0,0,1]=3 597 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [1,1,0,0,0,0|0,0,1]=3 598 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,1,0,0,0,0|1,0,1]=4 600 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,1,0,0,0,0|1,0,1]=4 601 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,1,0,0,0,0|1,0,1]=4 604 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,1,0,0,0,0|1,0,1]=4 606 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,1,0,0,0,0|1,0,1]=4 607 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,1,0,0,0,0|1,0,1]=4 608 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,1,0,0,0,0|1,0,1]=4 609 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|0,0,1]=3 616 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|0,0,1]=3 617 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [1,1,0,0,0,0|1,0,0]=3 618 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.15 COC(OC)C(=O)C 1458a_100000046285_200000210301 [1,1,0,0,0,0|2,0,0]=4 621 B7R0.15 COC(OC)C(=O)[13CH3] 1458a_100000046285_200025704644 [1,1,0,0,0,0|2,0,0]=4 622 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [1,1,0,0,0,0|1,0,0]=3 623 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,1,0,0,0,0|1,0,1]=4 625 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 11a_100025708725_100015343762 [0,1,0,0,0,1|1,0,1]=4 626 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 1626a_100025708725_100015343762 [0,1,0,0,0,1|1,0,1]=4 627 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 240690a_100025708725_100015343762 [0,1,0,0,0,1|1,0,1]=4 628 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)O 527a_100025708725_100103153847 [0,1,0,0,0,1|1,0,1]=4 629 B9R0.11 CC(=O)NC(C)(C)C(=O)C 1458a_100000750020_200000210301 [0,1,0,0,0,1|1,0,0]=3 630 B9R0.11 CC(=O)NC(C)(C)C(=O)N 11a_100000743658_100015343762 [0,1,0,0,0,1|1,0,0]=3 631 B9R0.11 CC(=O)NC(C)(C)C(=O)N 240690a_100000743658_100015343762 [0,1,0,0,0,1|1,0,0]=3 632 B9R0.11 CC(=O)NC(C)(C)C(=O)N 527a_100000743658_100103153847 [0,1,0,0,0,1|1,0,0]=3 633 B9R0.11 CC(=O)NC(C)(C)C(=O)[13CH3] 1458a_100000750020_200025704644 [0,1,0,0,0,1|1,0,0]=3 634 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [0,1,0,0,0,1|1,0,0]=3 635 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [0,1,0,0,0,1|1,0,0]=3 636 B9R0.23 C#CC(=O)C(C)OC(=O)C 1458a_100000211873_100009818208 [0,1,0,0,0,1|1,0,0]=3 637 B9R0.23 C=C(C)CN(C)C(=O)CO 527a_100000225649_100000210174 [0,1,0,0,0,1|2,0,0]=4 638 B9R0.23 C=CC(=O)C(C)OC(=O)C 1458a_100000185746_100009818208 [0,1,0,0,0,1|1,0,0]=3 639 B9R0.23 CC(=O)N[C@H](C)C(=O)CF 1458a_100011504603_100015361967 [0,1,0,0,0,1|1,0,0]=3 640 B9R0.23 CC(=O)OC(C)C(=O)CO 1458a_100000210174_100009818208 [0,1,0,0,0,1|0,0,0]=2 641 B9R0.23 CC(=O)O[C@@H](C)C(=O)CF 1458a_100009816467_100015361967 [0,1,0,0,0,1|1,0,0]=3 642 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,1|1,0,1]=4 643 B9R0.23 CCC(=O)C(C)OC(=O)C 1458a_100000210414_100009818208 [0,1,0,0,0,1|1,0,0]=3 644 B9R0.23 CCC(=O)N(C)CC(=O)N 11a_100000739694_100000210414 [0,1,0,0,0,1|2,0,0]=4 645 B9R0.23 CCC(=O)N(C)CC(=O)N 527a_100000739694_100000210414 [0,1,0,0,0,1|2,0,0]=4 646 B9R0.23 CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000210202 [0,1,0,0,0,1|1,0,0]=3 647 B9R0.23 CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210202 [0,1,0,0,0,1|1,0,0]=3 648 B9R0.23 CN(CC(=O)N)C(=O)CO 527a_100000739694_100000210174 [0,1,0,0,0,1|2,0,0]=4 649 B9R0.23 CNC(=O)N(C)CC(=O)N 2708a_100102657272_100000739694 [0,1,0,0,0,1|2,0,0]=4 650 B9R0.23 CNC(=O)N(C)CC(=O)N 273464a_100102657272_100000739694 [0,1,0,0,0,1|2,0,0]=4 651 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_100000684985_100015343762 [0,1,0,0,0,1|1,0,0]=3 652 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 11a_106832991635_100011504603 [0,1,0,0,0,1|1,0,0]=3 653 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 1626a_100102657272_100011504603 [0,1,0,0,0,1|1,0,0]=3 654 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100000684985_100015343762 [0,1,0,0,0,1|1,0,0]=3 655 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 240690a_100102657272_100011504603 [0,1,0,0,0,1|1,0,0]=3 656 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100000684985_100103153847 [0,1,0,0,0,1|1,0,0]=3 657 B9R0.23 CNC(=O)[C@@H](C)NC(=O)C 527a_100102657272_100011504603 [0,1,0,0,0,1|1,0,0]=3 658 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 11a_106832991635_100009816467 [0,1,0,0,0,1|1,0,0]=3 659 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 1626a_100102657272_100009816467 [0,1,0,0,0,1|1,0,0]=3 660 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 240690a_100102657272_100009816467 [0,1,0,0,0,1|1,0,0]=3 661 B9R0.23 CNC(=O)[C@H](C)OC(=O)C 527a_100102657272_100009816467 [0,1,0,0,0,1|1,0,0]=3 662 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [0,1,0,0,0,1|2,0,0]=4 663 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,1|1,0,1]=4 664 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,1|1,0,1]=4 665 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,1|1,0,1]=4 666 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,1|1,0,1]=4 667 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,1|1,0,1]=4 668 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,1|1,0,1]=4 669 B9R0.23 COC(=O)[C@@H](C)NC(=O)C 188690a_100000687819_100015343762 [0,1,0,0,0,1|0,0,0]=2 670 B9R0.39 CC(=O)NC(C#N)C(=O)N 1626a_100000039599_100015343762 [0,1,0,0,0,1|1,0,1]=4 671 B9R0.39 CC(=O)NC(CO)C(=O)C 1458a_200011194110_200000210301 [0,1,0,0,0,1|1,0,0]=3 672 B9R0.39 CC(=O)NC(CO)C(=O)[13CH3] 1458a_200011194110_200025704644 [0,1,0,0,0,1|1,0,0]=3 673 B9R0.39 CC(=O)N[C@@H](CO)C(=O)N 240690a_100000729942_100015343762 [0,1,0,0,0,1|1,0,0]=3 674 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 240690a_100015196842_100015343762 [0,1,0,0,0,1|1,0,1]=4 675 B9R0.39 CC(=O)N[C@H](CO)[C@@H](C)O 527a_100015196842_100103153847 [0,1,0,0,0,1|1,0,1]=4 676 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,1|1,0,1]=4 677 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,1|1,0,1]=4 678 B9R0.39 CCC(NC(=O)C)C(=O)C 1458a_100000195128_200000210301 [0,1,0,0,0,1|1,0,0]=3 679 B9R0.39 CCC(NC(=O)C)C(=O)N 11a_100000733705_100015343762 [0,1,0,0,0,1|1,0,0]=3 680 B9R0.39 CCC(NC(=O)C)C(=O)N 1626a_100000733705_100015343762 [0,1,0,0,0,1|1,0,0]=3 681 B9R0.39 CCC(NC(=O)C)C(=O)N 240690a_100000733705_100015343762 [0,1,0,0,0,1|1,0,0]=3 682 B9R0.39 CCC(NC(=O)C)C(=O)N 527a_100000733705_100103153847 [0,1,0,0,0,1|1,0,0]=3 683 B9R0.39 CCC(NC(=O)C)C(=O)[13CH3] 1458a_100000195128_200025704644 [0,1,0,0,0,1|1,0,0]=3 684 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [0,1,0,0,0,1|1,0,0]=3 685 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [0,1,0,0,0,1|1,0,0]=3 686 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,1|1,0,1]=4 687 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [0,1,0,0,0,1|1,0,1]=4 688 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [0,1,0,0,0,1|1,0,1]=4 689 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [0,1,0,0,0,1|1,0,1]=4 690 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [0,1,0,0,0,1|1,0,1]=4 691 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,1|1,0,1]=4 692 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,1,0,0,0,1|2,0,0]=4 693 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,1,0,0,0,1|1,0,0]=3 694 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,1,0,0,0,1|1,0,0]=3 695 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,1,0,0,0,1|2,0,0]=4 696 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [0,1,0,0,0,1|1,0,1]=4 697 B9R0.42 C=CC(=O)N[C@H](C)C(=O)N 240690a_100000119354_200121576911 [0,1,0,0,0,1|1,0,1]=4 698 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [0,1,0,0,0,1|1,0,1]=4 699 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,1|1,0,1]=4 700 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [0,1,0,0,0,1|1,0,1]=4 701 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [0,1,0,0,0,1|1,0,1]=4 702 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [0,1,0,0,0,1|1,0,1]=4 703 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [0,1,0,0,0,1|1,0,1]=4 704 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [0,1,0,0,0,1|1,0,1]=4 705 B9R0.42 CC(=O)N(C)CC(=O)CF 1458a_100000194957_100015361967 [0,1,0,0,0,1|2,0,0]=4 706 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [0,1,0,0,0,1|1,0,1]=4 707 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,0,1|1,0,1]=4 708 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,0,1|1,0,1]=4 709 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,1|2,0,0]=4 710 B9R0.42 CCC(=O)CN(C)C(=O)N 1458a_100000218718_100000210202 [0,1,0,0,0,1|2,0,0]=4 711 B9R0.42 CCC(=O)NC(C)C(=O)C 1458a_100000194823_200000210301 [0,1,0,0,0,1|1,0,0]=3 712 B9R0.42 CCC(=O)NC(C)C(=O)[13CH3] 1458a_100000194823_200025704644 [0,1,0,0,0,1|1,0,0]=3 713 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 11a_100000119354_100000210414 [0,1,0,0,0,1|1,0,0]=3 714 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 240690a_100000119354_100000210414 [0,1,0,0,0,1|1,0,0]=3 715 B9R0.42 CCC(=O)N[C@H](C)C(=O)N 527a_100000119354_100000210414 [0,1,0,0,0,1|1,0,0]=3 716 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|1,0,1]=4 717 B9R0.42 CN(CC(=O)CF)C(=O)N 1458a_100000218718_100015361967 [0,1,0,0,0,1|2,0,0]=4 718 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_100000189611_100015343762 [0,1,0,0,0,1|2,0,0]=4 719 B9R0.42 CNC(=O)CN(C)C(=O)C 11a_106832991635_100000194957 [0,1,0,0,0,1|2,0,0]=4 720 B9R0.42 CNC(=O)CN(C)C(=O)C 1626a_100102657272_100000194957 [0,1,0,0,0,1|2,0,0]=4 721 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100000189611_100015343762 [0,1,0,0,0,1|2,0,0]=4 722 B9R0.42 CNC(=O)CN(C)C(=O)C 240690a_100102657272_100000194957 [0,1,0,0,0,1|2,0,0]=4 723 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100000189611_100103153847 [0,1,0,0,0,1|2,0,0]=4 724 B9R0.42 CNC(=O)CN(C)C(=O)C 527a_100102657272_100000194957 [0,1,0,0,0,1|2,0,0]=4 725 B9R0.42 CNC(=O)CN(C)C(=O)N 240690a_100102657272_100000218718 [0,1,0,0,0,1|2,0,0]=4 726 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100000119354_100102657272 [0,1,0,0,0,1|1,0,0]=3 727 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 273464a_100102657272_100000119354 [0,1,0,0,0,1|1,0,0]=3 728 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_100000119354_100102657272 [0,1,0,0,0,1|1,0,0]=3 729 B9R0.42 CNC(=O)N[C@H](C)C(=O)N 512a_106832991638_100000119354 [0,1,0,0,0,1|1,0,0]=3 730 B9R0.42 COC(=O)CC(C)C(=O)C 1458a_100000037256_200000210301 [0,1,0,0,0,1|0,0,0]=2 731 B9R0.42 COC(=O)CC(C)C(=O)[13CH3] 1458a_100000037256_200025704644 [0,1,0,0,0,1|0,0,0]=2 732 B9R0.42 COC(=O)CC(C)N(C)C 2230a_100102631434_100009817358 [0,1,0,0,0,1|2,0,0]=4 733 B9R0.42 COC(=O)CC(C)N(C)C 269982a_100102631434_100009817358 [0,1,0,0,0,1|2,0,0]=4 734 B9R0.42 COC(=O)CN(C)C(=O)C 11a_100000198492_100015343762 [0,1,0,0,0,1|1,0,0]=3 735 B9R0.42 COC(=O)CN(C)C(=O)C 1626a_100000198492_100015343762 [0,1,0,0,0,1|1,0,0]=3 736 B9R0.42 COC(=O)CN(C)C(=O)C 240690a_100000198492_100015343762 [0,1,0,0,0,1|1,0,0]=3 737 B9R0.42 COC(=O)CN(C)C(=O)C 527a_100000198492_100103153847 [0,1,0,0,0,1|1,0,0]=3 738 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|0,0,2]=4 739 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [0,1,0,0,0,1|1,0,1]=4 740 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [0,1,0,0,0,1|1,0,1]=4 741 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 240690a_100000119354_100000210174 [0,1,0,0,0,1|1,0,0]=3 742 B9R0.42 C[C@@H](NC(=O)CO)C(=O)N 527a_100000119354_100000210174 [0,1,0,0,0,1|1,0,0]=3 743 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|0,0,2]=4 744 B9R0.57 CC(=O)[C@H](C)OS(=O)(=O)C 1458a_200015292407_200000210301 [0,1,0,0,0,1|1,0,1]=4 745 B9R0.57 C[C@@H](NS(=O)(=O)C)C(=O)N 40a_100000119354_100000738038 [0,1,0,0,0,1|2,0,0]=4 746 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|1,0,1]=4 747 B9R0.57 C[C@H](OS(=O)(=O)C)C(=O)[13CH3] 1458a_200015292407_200025704644 [0,1,0,0,0,1|1,0,1]=4 748 B9R0.79 C=C(C)C(=O)C(C)C(=O)C 1458a_100000185857_100000179758 [0,1,0,0,0,1|2,0,0]=4 749 B9R0.79 C=C(C)C(=O)C(C)C(=O)N 1458a_100000185857_100000702099 [0,1,0,0,0,1|2,0,0]=4 750 B9R0.79 CC(=O)C(C)C(=O)C(O)O 1458a_100000233687_100000179758 [0,1,0,0,0,1|0,0,2]=4 751 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,1|1,0,1]=4 752 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,1|1,0,1]=4 753 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,1|1,0,1]=4 754 B9R0.6 C#CCC(=O)C(C)C(=O)C 1458a_100011220946_100000179758 [0,2,0,0,0,0|1,0,0]=3 755 B9R0.6 C#CCC(=O)C(C)C(=O)N 1458a_100011220946_100000702099 [0,2,0,0,0,0|1,0,0]=3 756 B9R0.6 C#CCC(=O)C(F)C(=O)N 1458a_100011220946_100009813875 [0,2,0,0,0,0|2,0,0]=4 757 B9R0.6 C#CCC(=O)C(F)C(=O)[O-] 1458a_100011220946_100020610796 [0,2,0,0,0,0|1,0,1]=4 758 B9R0.6 C#CCN(C)C(C)C(=O)O 269956a_100000749554_100000184674 [0,2,0,0,0,0|2,0,0]=4 759 B9R0.6 C=CCC(=O)C(C)C(=O)C 1458a_100000210193_100000179758 [0,2,0,0,0,0|1,0,0]=3 760 B9R0.6 C=CCC(=O)C(C)C(=O)N 1458a_100000210193_100000702099 [0,2,0,0,0,0|1,0,0]=3 761 B9R0.6 C=CCC(=O)C(F)C(=O)N 1458a_100000210193_100009813875 [0,2,0,0,0,0|2,0,0]=4 762 B9R0.6 C=CCC(=O)C(F)C(=O)[O-] 1458a_100000210193_100020610796 [0,2,0,0,0,0|1,0,1]=4 763 B9R0.6 C=CCN(C)C(C)C(=O)O 269956a_100000749554_100000210623 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.6 CC#CC(=O)C(C)C(=O)C 1458a_100000763181_100000179758 [0,2,0,0,0,0|1,0,0]=3 765 B9R0.6 CC#CC(=O)C(C)C(=O)N 1458a_100000763181_100000702099 [0,2,0,0,0,0|1,0,0]=3 766 B9R0.6 CC#CC(=O)C(F)C(=O)N 1458a_100000763181_100009813875 [0,2,0,0,0,0|2,0,0]=4 767 B9R0.6 CC#CC(=O)C(F)C(=O)[O-] 1458a_100000763181_100020610796 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.6 CC(=O)C(C)C(=O)C=CBr 1458a_100016273825_100000179758 [0,2,0,0,0,0|1,0,0]=3 769 B9R0.6 CC(=O)C(C)C(=O)C=CCl 1458a_200016279998_100000179758 [0,2,0,0,0,0|1,0,0]=3 770 B9R0.6 CC(=O)C(C)C(=O)C=CI 1458a_100016256311_100000179758 [0,2,0,0,0,0|1,0,0]=3 771 B9R0.6 CC(=O)C(C)C(=O)CC#N 1458a_100051588842_100000179758 [0,2,0,0,0,0|1,0,0]=3 772 B9R0.6 CC(=O)C(C)C(=O)CCO 1458a_100011216618_100000179758 [0,2,0,0,0,0|0,0,0]=2 773 B9R0.6 CC(=O)C(C)N(C)CCO 2230a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 774 B9R0.6 CC(=O)C(C)N(C)CCO 269982a_100000210263_100009814033 [0,2,0,0,0,0|2,0,0]=4 775 B9R0.6 CC(C(=O)N)C(=O)C=CBr 1458a_100016273825_100000702099 [0,2,0,0,0,0|1,0,1]=4 776 B9R0.6 CC(C(=O)N)C(=O)C=CCl 1458a_200016279998_100000702099 [0,2,0,0,0,0|1,0,1]=4 777 B9R0.6 CC(C(=O)N)C(=O)C=CI 1458a_100016256311_100000702099 [0,2,0,0,0,0|1,0,1]=4 778 B9R0.6 CC(C(=O)N)C(=O)CC#N 1458a_100051588842_100000702099 [0,2,0,0,0,0|1,0,0]=3 779 B9R0.6 CC(C(=O)N)C(=O)CCO 1458a_100011216618_100000702099 [0,2,0,0,0,0|1,0,0]=3 780 B9R0.6 CC(C(=O)O)N(C)CC#N 269956a_100000749554_100011215382 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.6 CC(C(=O)O)N(C)CC=O 269956a_100000749554_200015260668 [0,2,0,0,0,0|1,0,0]=3 782 B9R0.6 CC(C(=O)O)N(C)CCF 269956a_100000749554_100011217306 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100000749554_100000211926 [0,2,0,0,0,0|1,0,1]=4 784 B9R0.6 CC(C(=O)O)N(C)CCO 269956a_100011300695_200000210301 [0,2,0,0,0,0|1,0,1]=4 785 B9R0.6 CC(C(=O)O)N([13CH3])CCO 269956a_100011300695_200025704644 [0,2,0,0,0,0|1,0,1]=4 786 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|1,0,1]=4 787 B9R0.6 CC=CC(=O)C(C)C(=O)C 1458a_100000210699_100000179758 [0,2,0,0,0,0|1,0,0]=3 788 B9R0.6 CC=CC(=O)C(C)C(=O)N 1458a_100000210699_100000702099 [0,2,0,0,0,0|1,0,0]=3 789 B9R0.6 CC=CC(=O)C(F)C(=O)N 1458a_100000210699_100009813875 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.6 CC=CC(=O)C(F)C(=O)[O-] 1458a_100000210699_100020610796 [0,2,0,0,0,0|1,0,1]=4 791 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.6 CCCC(=O)C(C)C(=O)N 1458a_100000211992_100000702099 [0,2,0,0,0,0|1,0,0]=3 793 B9R0.6 CCCC(=O)C(F)C(=O)N 1458a_100000211992_100009813875 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.6 CCCC(=O)C(F)C(=O)[O-] 1458a_100000211992_100020610796 [0,2,0,0,0,0|1,0,1]=4 795 B9R0.6 CCCN(C)C(C)C(=O)O 269956a_100000749554_100000210207 [0,2,0,0,0,0|2,0,0]=4 796 B9R0.6 CCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230173 [0,2,0,0,0,0|1,0,0]=3 797 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100000070787_100011216346 [0,2,0,0,0,0|0,0,0]=2 798 B9R0.6 CCOC(=O)C(C)C(=O)C 1458a_100132301724_200000210301 [0,2,0,0,0,0|0,0,0]=2 799 B9R0.6 CCOC(=O)C(C)C(=O)[13CH3] 1458a_100132301724_200025704644 [0,2,0,0,0,0|0,0,0]=2 800 B9R0.6 CCOC(=O)C(C)N(C)C 2230a_100102631434_100011215307 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.6 CCOC(=O)C(C)N(C)C 269982a_100102631434_100011216346 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.6 CCOC(=O)C(F)C(=O)C 1458a_100000070787_100000760018 [0,2,0,0,0,0|1,0,0]=3 803 B9R0.6 COCC(=O)C(C)C(=O)C 1458a_100000210968_100000179758 [0,2,0,0,0,0|0,0,0]=2 804 B9R0.6 COCC(=O)C(C)C(=O)N 1458a_100000210968_100000702099 [0,2,0,0,0,0|1,0,0]=3 805 B9R0.6 COCC(=O)C(F)C(=O)N 1458a_100000210968_100009813875 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.6 COCC(=O)C(F)C(=O)[O-] 1458a_100000210968_100020610796 [0,2,0,0,0,0|1,0,1]=4 807 B9R0.6 COCN(C)C(C)C(=O)O 269956a_100000749554_100000766300 [0,2,0,0,0,0|1,0,1]=4 808 B9R0.6 CSCC(=O)C(C)C(=O)C 1458a_100000184570_100000179758 [0,2,0,0,0,0|0,1,0]=3 809 B9R0.6 CSCC(=O)C(C)C(=O)N 1458a_100000184570_100000702099 [0,2,0,0,0,0|1,0,0]=3 810 B9R0.6 CSCC(=O)C(F)C(=O)N 1458a_100000184570_100009813875 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.6 CSCC(=O)C(F)C(=O)[O-] 1458a_100000184570_100020610796 [0,2,0,0,0,0|1,0,1]=4 812 B9R0.6 CSCN(C)C(C)C(=O)O 269956a_100000749554_100011218213 [0,2,0,0,0,0|1,1,0]=4 813 B9R0.6 C[C@@H](C(=O)CCO)N(C)C 1458a_100009822176_100000211926 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.6 N#CCC(=O)C(F)C(=O)N 1458a_100051588842_100009813875 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.6 N#CCC(=O)C(F)C(=O)[O-] 1458a_100051588842_100020610796 [0,2,0,0,0,0|1,0,1]=4 816 B9R0.6 NC(=O)C(F)C(=O)CCO 1458a_100011216618_100009813875 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.6 O=C([O-])C(F)C(=O)CCO 1458a_100011216618_100020610796 [0,2,0,0,0,0|1,0,1]=4 818 B9R0.27 C#CC(=O)C(C)C(=O)CC 1458a_100000211873_100000742827 [0,2,0,0,0,0|1,0,0]=3 819 B9R0.27 C#CC(=O)C(C)C(=O)NC 1458a_100000211873_100000209862 [0,2,0,0,0,0|1,0,0]=3 820 B9R0.27 C#CC(=O)C(C)C(=O)OC 1458a_100000211873_100000211248 [0,2,0,0,0,0|0,0,1]=3 821 B9R0.27 C#CC(=O)C(F)C(=O)NC 1458a_100000211873_100009813575 [0,2,0,0,0,0|2,0,0]=4 822 B9R0.27 C=CC(=O)C(C)C(=O)CC 1458a_100000185746_100000742827 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.27 C=CC(=O)C(C)C(=O)NC 1458a_100000185746_100000209862 [0,2,0,0,0,0|1,0,0]=3 824 B9R0.27 C=CC(=O)C(C)C(=O)OC 1458a_100000185746_100000211248 [0,2,0,0,0,0|0,0,1]=3 825 B9R0.27 C=CC(=O)C(F)C(=O)NC 1458a_100000185746_100009813575 [0,2,0,0,0,0|2,0,0]=4 826 B9R0.27 CCC(=O)C(C)C(=O)CC 1458a_100000210414_100000742827 [0,2,0,0,0,0|1,0,0]=3 827 B9R0.27 CCC(=O)C(C)C(=O)CO 1458a_100000210174_100000742827 [0,2,0,0,0,0|0,0,0]=2 828 B9R0.27 CCC(=O)C(C)C(=O)NC 1458a_100000210414_100000209862 [0,2,0,0,0,0|1,0,0]=3 829 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100000210414_100000211248 [0,2,0,0,0,0|0,0,0]=2 830 B9R0.27 CCC(=O)C(C)C(=O)OC 1458a_100012027023_100000210202 [0,2,0,0,0,0|0,0,0]=2 831 B9R0.27 CCC(=O)C(F)C(=O)NC 1458a_100000210414_100009813575 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 833 B9R0.27 CCN(C)C(C)C(=O)OC 2230a_100000725243_100000210202 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000225621_100000211248 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.27 CCN(C)C(C)C(=O)OC 269982a_100000725243_100000204670 [0,2,0,0,0,0|2,0,0]=4 836 B9R0.27 CNC(=O)C(C)C(=O)CO 1458a_100000210174_100000209862 [0,2,0,0,0,0|0,0,0]=2 837 B9R0.27 CNC(=O)C(C)C(=O)OC 11a_106832991635_100012027023 [0,2,0,0,0,0|0,0,0]=2 838 B9R0.27 CNC(=O)C(C)C(=O)OC 1626a_100102657272_100012027023 [0,2,0,0,0,0|0,0,0]=2 839 B9R0.27 CNC(=O)C(C)C(=O)OC 240690a_100102657272_100012027023 [0,2,0,0,0,0|0,0,0]=2 840 B9R0.27 CNC(=O)C(C)C(=O)OC 527a_100102657272_100012027023 [0,2,0,0,0,0|0,0,0]=2 841 B9R0.27 CNC(=O)C(F)C(=O)CO 1458a_100000210174_100009813575 [0,2,0,0,0,0|1,0,0]=3 842 B9R0.27 COC(=O)C(C)C(=O)CF 1458a_100012027023_100015361967 [0,2,0,0,0,0|0,0,0]=2 843 B9R0.27 COC(=O)C(C)C(=O)CO 1458a_100000210174_100000211248 [0,2,0,0,0,0|0,0,0]=2 844 B9R0.27 COC(=O)C(C)N(C)CF 269982a_100000725243_100015361967 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.28 C=C(Cl)C(C)(C)C(=O)CC 1458a_100000049003_100000210202 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.28 C=C(Cl)C(C)(C)C(=O)CF 1458a_100000049003_100015361967 [0,2,0,0,0,0|2,0,0]=4 847 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 11a_106832991635_100000049003 [0,2,0,0,0,0|2,0,0]=4 848 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 1626a_100102657272_100000049003 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 240690a_100102657272_100000049003 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.28 C=C(Cl)C(C)(C)C(=O)NC 527a_100102657272_100000049003 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.28 CCC(=O)C(F)(F)C(=O)N 1458a_100000210414_100009811971 [0,2,0,0,0,0|2,0,0]=4 852 B9R0.28 COC(=O)C(C)(C)C(=O)C 1458a_100012000394_200000210301 [0,2,0,0,0,0|0,0,0]=2 853 B9R0.28 COC(=O)C(C)(C)C(=O)[13CH3] 1458a_100012000394_200025704644 [0,2,0,0,0,0|0,0,0]=2 854 B9R0.28 COC(=O)C(C)(C)N(C)C 2230a_100102631434_100000689032 [0,2,0,0,0,0|2,0,0]=4 855 B9R0.28 COC(=O)C(C)(F)N(C)C 2230a_100102631434_200009867631 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.28 NC(=O)C(F)(F)C(=O)CO 1458a_100000210174_100009811971 [0,2,0,0,0,0|2,0,0]=4 857 B9R0.29 C#CC(=O)C(CC)C(=O)N 1458a_100000211873_100000750255 [0,2,0,0,0,0|1,0,1]=4 858 B9R0.29 C=CC(=O)C(CC)C(=O)N 1458a_100000185746_100000750255 [0,2,0,0,0,0|1,0,1]=4 859 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [0,2,0,0,0,0|1,0,0]=3 860 B9R0.29 CCC(C(=O)C)C(=O)OC 1458a_100000070787_100000235869 [0,2,0,0,0,0|0,0,0]=2 861 B9R0.29 CCC(C(=O)N)C(=O)CO 1458a_100000210174_100000750255 [0,2,0,0,0,0|1,0,0]=3 862 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100000709176_200000210301 [0,2,0,0,0,0|2,0,0]=4 863 B9R0.29 CCC(C(=O)OC)N(C)C 2230a_100102631434_100000235869 [0,2,0,0,0,0|2,0,0]=4 864 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100000709176_200000210301 [0,2,0,0,0,0|2,0,0]=4 865 B9R0.29 CCC(C(=O)OC)N(C)C 269982a_100102631434_100000235869 [0,2,0,0,0,0|2,0,0]=4 866 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 2230a_100000709176_200025704644 [0,2,0,0,0,0|2,0,0]=4 867 B9R0.29 CCC(C(=O)OC)N(C)[13CH3] 269982a_100000709176_200025704644 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [0,2,0,0,0,0|1,0,1]=4 870 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [0,2,0,0,0,0|1,0,1]=4 871 B9R0.29 CN(CF)[C@@H](CO)C(=O)O 269956a_100015362447_100015361967 [0,2,0,0,0,0|2,0,0]=4 872 B9R0.29 CNC(=O)C(NC)C(=O)C 7a_106832991635_100000210987 [0,2,0,0,0,0|1,0,0]=3 873 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_100000210987_200000210301 [0,2,0,0,0,0|1,0,0]=3 874 B9R0.29 CNC(=O)C(SC)C(=O)C 62a_200000210301_100000210987 [0,2,0,0,0,0|1,0,0]=3 875 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_100000210987_200025704644 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.29 CNC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100000210987 [0,2,0,0,0,0|1,0,0]=3 877 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 2230a_100102634413_200000210301 [0,2,0,0,0,0|1,0,1]=4 878 B9R0.29 CNC(=O)[C@@H](NC)[C@@H](C)O 34a_100102634413_200000210301 [0,2,0,0,0,0|1,0,1]=4 879 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 2230a_100102634413_200025704644 [0,2,0,0,0,0|1,0,1]=4 880 B9R0.29 CNC(=O)[C@@H](N[13CH3])[C@@H](C)O 34a_100102634413_200025704644 [0,2,0,0,0,0|1,0,1]=4 881 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [0,2,0,0,0,0|1,0,1]=4 882 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [0,2,0,0,0,0|1,0,1]=4 883 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [0,2,0,0,0,0|1,0,1]=4 884 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|0,0,2]=4 885 B9R0.29 COC(=O)C(CO)C(=O)C 1458a_100000070787_100012276630 [0,2,0,0,0,0|0,0,0]=2 886 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [0,2,0,0,0,0|1,0,1]=4 887 B9R0.29 COC(=O)C(SC)C(=O)C 62a_100011215331_200000210301 [0,2,0,0,0,0|0,0,0]=2 888 B9R0.29 COC(=O)C(SC)C(=O)C 62a_200000210301_100011215331 [0,2,0,0,0,0|0,0,0]=2 889 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [0,2,0,0,0,0|1,0,1]=4 890 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [0,2,0,0,0,0|1,0,1]=4 891 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_100011215331_200025704644 [0,2,0,0,0,0|0,0,0]=2 892 B9R0.29 COC(=O)C(S[13CH3])C(=O)C 62a_200025704644_100011215331 [0,2,0,0,0,0|0,0,0]=2 893 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [0,2,0,0,0,0|1,0,1]=4 894 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [0,2,0,0,0,0|1,0,1]=4 895 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [0,2,0,0,0,0|1,0,1]=4 896 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [0,2,0,0,0,0|1,0,1]=4 897 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [0,2,0,0,0,0|1,0,1]=4 898 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [0,2,0,0,0,0|1,0,1]=4 899 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|0,0,2]=4 900 B9R0.32 CCS(=O)(=O)C(C)C(=O)C 1458a_100011214461_200000210301 [0,2,0,0,0,0|1,0,1]=4 901 B9R0.32 CCS(=O)(=O)C(C)C(=O)[13CH3] 1458a_100011214461_200025704644 [0,2,0,0,0,0|1,0,1]=4 902 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100000210371_100015361967 [0,2,0,0,0,0|1,0,0]=3 903 B9R0.33 CC(=O)C(SCF)C(=O)C 62a_100015361967_100000210371 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,2,0,0,0,0|1,0,1]=4 905 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,2,0,0,0,0|0,0,2]=4 906 B9R0.33 CCNC(C(=O)N)C(=O)N 2230a_100000025885_100000210202 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,2,0,0,0,0|0,0,2]=4 908 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210202_100000210371 [0,2,0,0,0,0|1,0,0]=3 910 B9R0.33 CCSC(C(=O)C)C(=O)C 62a_100000210371_100000210202 [0,2,0,0,0,0|1,0,0]=3 911 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,2,0,0,0,0|1,0,0]=3 912 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,2,0,0,0,0|1,0,1]=4 913 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,2,0,0,0,0|1,0,1]=4 914 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,2,0,0,0,0|1,0,1]=4 915 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|0,0,2]=4 916 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|0,0,2]=4 918 B7R1.20 CC(=O)CC1CO1 1458a_100000070787_100011216344 [1,0,0,1,0,0|1,0,1]=4 919 B7R1.20 CC(=O)C[C@@H]1CO1 1458a_100000070787_100000745022 [1,0,0,1,0,0|1,0,1]=4 920 B7R1.8 CNC1CCC1=O 34a_100102657272_100009892977 [1,0,0,1,0,0|2,0,0]=4 921 B7R1.8 CNC1CCC1=O 7a_106832991635_100009892977 [1,0,0,1,0,0|2,0,0]=4 922 B7R1.8 COC1CCC1=O 34a_100138415774_100009892977 [1,0,0,1,0,0|2,0,0]=4 923 B7R1.8 CSC1CCC1=O 62a_100009892977_200000210301 [1,0,0,1,0,0|2,0,0]=4 924 B7R1.8 CSC1CCC1=O 62a_200000210301_100009892977 [1,0,0,1,0,0|2,0,0]=4 925 B7R1.8 [13CH3]SC1CCC1=O 62a_100009892977_200025704644 [1,0,0,1,0,0|2,0,0]=4 926 B7R1.8 [13CH3]SC1CCC1=O 62a_200025704644_100009892977 [1,0,0,1,0,0|2,0,0]=4 927 B7R1.18 CC(=O)C1CCC1 1458a_100000070787_100000749161 [1,0,0,1,0,0|1,0,1]=4 928 B7R1.18 CC(=O)C1CCC1 1458a_100000209988_200000210301 [1,0,0,1,0,0|1,0,1]=4 929 B7R1.18 CC(=O)C1CCO1 1458a_100000089072_200000210301 [1,0,0,1,0,0|2,0,0]=4 930 B7R1.18 CC(=O)C1COC1 1458a_100000070787_100000687716 [1,0,0,1,0,0|0,0,1]=3 931 B7R1.18 CC(=O)C1COC1 1458a_100000758290_200000210301 [1,0,0,1,0,0|0,0,1]=3 932 B7R1.18 [13CH3]C(=O)C1CCC1 1458a_100000209988_200025704644 [1,0,0,1,0,0|1,0,1]=4 933 B7R1.18 [13CH3]C(=O)C1CCO1 1458a_100000089072_200025704644 [1,0,0,1,0,0|2,0,0]=4 934 B7R1.18 [13CH3]C(=O)C1COC1 1458a_100000758290_200025704644 [1,0,0,1,0,0|0,0,1]=3 935 B7R1.19 CC(=O)C1(CC1)C 1458a_100000756474_200000210301 [1,0,0,1,0,0|1,0,1]=4 936 B7R1.19 CC1(CC1)C(=O)[13CH3] 1458a_100000756474_200025704644 [1,0,0,1,0,0|1,0,1]=4 937 B9R1.35 CC(=O)C1CCC(=O)N1 1458a_100000210400_200000210301 [0,0,0,1,0,1|1,0,0]=3 938 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,1|1,0,1]=4 939 B9R1.35 CC(=O)C1CNC(=O)C1 1458a_100000747279_200000210301 [0,0,0,1,0,1|1,0,0]=3 940 B9R1.35 CC(=O)C1CNC(=O)N1 1458a_100000033324_200000210301 [0,0,0,1,0,1|1,0,0]=3 941 B9R1.35 CC(=O)C1CSC(=N1)N 1458a_100000002200_200000210301 [0,0,0,1,0,1|1,1,0]=4 942 B9R1.35 CC(=O)N1CNC(=O)C1 11a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 943 B9R1.35 CC(=O)N1CNC(=O)C1 1626a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 944 B9R1.35 CC(=O)N1CNC(=O)C1 240690a_200000708111_100015343762 [0,0,0,1,0,1|2,0,0]=4 945 B9R1.35 CC(=O)N1CNC(=O)C1 527a_200000708111_100103153847 [0,0,0,1,0,1|2,0,0]=4 946 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200000210301 [0,0,0,1,0,1|1,0,0]=3 947 B9R1.35 CC(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200000210301 [0,0,0,1,0,1|0,1,0]=3 948 B9R1.35 [13CH3]C(=O)C1CCC(=O)N1 1458a_100000210400_200025704644 [0,0,0,1,0,1|1,0,0]=3 949 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,1|1,0,1]=4 950 B9R1.35 [13CH3]C(=O)C1CNC(=O)C1 1458a_100000747279_200025704644 [0,0,0,1,0,1|1,0,0]=3 951 B9R1.35 [13CH3]C(=O)C1CNC(=O)N1 1458a_100000033324_200025704644 [0,0,0,1,0,1|1,0,0]=3 952 B9R1.35 [13CH3]C(=O)C1CSC(=N1)N 1458a_100000002200_200025704644 [0,0,0,1,0,1|1,1,0]=4 953 B9R1.35 [13CH3]C(=O)[C@@H]1CCC(=O)O1 1458a_100009814974_200025704644 [0,0,0,1,0,1|1,0,0]=3 954 B9R1.35 [13CH3]C(=O)[C@@H]1CSC(=O)N1 1458a_100000735014_200025704644 [0,0,0,1,0,1|0,1,0]=3 955 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 11a_206633788156_100015343762 [0,0,0,1,0,1|1,0,1]=4 956 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 240690a_206633788156_100015343762 [0,0,0,1,0,1|1,0,1]=4 957 B9R1.55 CC(=O)N1C[C@@H]([C@@H]1C)O 527a_206633788156_100103153847 [0,0,0,1,0,1|1,0,1]=4 958 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,1|1,0,1]=4 959 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [0,0,0,1,0,1|1,0,1]=4 960 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [0,0,0,1,0,1|1,0,1]=4 961 B9R1.41 CC(=O)C1CCCC1=O 1458a_100000070787_100000211823 [0,1,0,1,0,0|1,0,0]=3 962 B9R1.41 CC(=O)C1CCOC1=O 1458a_100000070787_100000211211 [0,1,0,1,0,0|0,0,0]=2 963 B9R1.41 CN(C)C1CCOC1=O 2230a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 964 B9R1.41 CN(C)C1CCOC1=O 269982a_100102631434_100000211211 [0,1,0,1,0,0|2,0,0]=4 965 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [0,1,0,1,0,0|2,0,0]=4 966 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [0,1,0,1,0,0|2,0,0]=4 967 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [0,1,0,1,0,0|1,1,0]=4 968 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [0,1,0,1,0,0|2,0,0]=4 969 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [0,1,0,1,0,0|2,0,0]=4 970 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [0,1,0,1,0,0|1,1,0]=4 971 B9R1.81 C#CC(=O)C1CCC1=O 1458a_100000211873_100009892977 [0,1,0,1,0,0|1,0,0]=3 972 B9R1.81 C=CC(=O)C1CCC1=O 1458a_100000185746_100009892977 [0,1,0,1,0,0|1,0,0]=3 973 B9R1.81 CCC(=O)C1CCC1=O 1458a_100000210414_100009892977 [0,1,0,1,0,0|1,0,0]=3 974 B9R1.81 COC(=O)[C@@H]1CCN1C 2230a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 975 B9R1.81 COC(=O)[C@@H]1CCN1C 269982a_102516456887_200000210301 [0,1,0,1,0,0|2,0,0]=4 976 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 2230a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 977 B9R1.81 COC(=O)[C@@H]1CCN1[13CH3] 269982a_102516456887_200025704644 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.81 O=C(CO)C1CCC1=O 1458a_100000210174_100009892977 [0,1,0,1,0,0|0,0,0]=2 979 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [0,1,0,1,0,0|2,0,0]=4 980 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [0,1,0,1,0,0|2,0,0]=4 981 B9R1.27 CC1=NNC(=O)C1S[13CH3] 62a_200025704644_200009843013 [0,1,0,1,0,0|2,0,0]=4 982 B9R1.27 CNC1C(=O)CCC1=O 2230a_106832991635_100009820769 [0,1,0,1,0,0|1,0,0]=3 983 B9R1.27 CNC1C(=O)CCC1=O 7a_106832991635_100009820769 [0,1,0,1,0,0|1,0,0]=3 984 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,1,0,1,0,0|0,0,0]=2 985 B9R1.27 CNC1C(=O)NN=C1C 2230a_106832991635_200009843013 [0,1,0,1,0,0|2,0,0]=4 986 B9R1.27 CNC1C(=O)NN=C1C 7a_106832991635_200009843013 [0,1,0,1,0,0|2,0,0]=4 987 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [0,1,0,1,0,0|0,0,0]=2 988 B9R1.27 CSC1C(=O)CCC1=O 62a_100009820769_200000210301 [0,1,0,1,0,0|1,0,0]=3 989 B9R1.27 CSC1C(=O)CCC1=O 62a_200000210301_100009820769 [0,1,0,1,0,0|1,0,0]=3 990 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [0,1,0,1,0,0|0,0,0]=2 991 B9R1.27 CSC1C(=O)NN=C1C 62a_200000210301_200009843013 [0,1,0,1,0,0|2,0,0]=4 992 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_100009820769_200025704644 [0,1,0,1,0,0|1,0,0]=3 993 B9R1.27 [13CH3]SC1C(=O)CCC1=O 62a_200025704644_100009820769 [0,1,0,1,0,0|1,0,0]=3 994 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [0,1,0,1,0,0|0,0,0]=2 995 B9R1.168 CC(=O)C1(CC1)C(=O)C 1458a_100000070787_100000086384 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000070787_100010760883 [0,1,0,1,0,0|1,0,0]=3 997 B9R1.168 CC(=O)C1(CC1)C(=O)N 1458a_100000751805_200000210301 [0,1,0,1,0,0|1,0,0]=3 998 B9R1.168 [13CH3]C(=O)C1(CC1)C(=O)N 1458a_100000751805_200025704644 [0,1,0,1,0,0|1,0,0]=3 999 B7R0.6 C=C(C)CCC(=O)C 1458a_100000070787_100000730704 [1,0,0,0,0,1|2,0,0]=4 1000 B7R0.6 C=C(C)CCC(=O)C 1458a_200000688413_200000210301 [1,0,0,0,0,1|2,0,0]=4 1001 B7R0.6 C=C(C)CCC(=O)[13CH3] 1458a_200000688413_200025704644 [1,0,0,0,0,1|2,0,0]=4 1002 B7R0.6 C=C(C)CNC(=O)C 11a_100000765925_100015343762 [1,0,0,0,0,1|2,0,0]=4 1003 B7R0.6 C=C(C)CNC(=O)C 1626a_100000765925_100015343762 [1,0,0,0,0,1|2,0,0]=4 1004 B7R0.6 C=C(C)CNC(=O)C 240690a_100000765925_100015343762 [1,0,0,0,0,1|2,0,0]=4 1005 B7R0.6 C=C(C)CNC(=O)C 527a_100000765925_100103153847 [1,0,0,0,0,1|2,0,0]=4 1006 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,1|2,0,0]=4 1007 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,1|2,0,0]=4 1008 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,1|2,0,0]=4 1009 B7R0.6 CC(=O)CCC(=O)N 1458a_100011215257_200000210301 [1,0,0,0,0,1|1,0,0]=3 1010 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [1,0,0,0,0,1|1,0,1]=4 1011 B7R0.6 CC(=O)CC[N+](=O)[O-] 1458a_200000064761_200000210301 [1,0,0,0,0,1|1,0,1]=4 1012 B7R0.6 CC(=O)CNC(=O)C 1458a_100000194580_200000210301 [1,0,0,0,0,1|1,0,0]=3 1013 B7R0.6 CC(=O)CNC(=O)N 1458a_100000184981_200000210301 [1,0,0,0,0,1|1,0,0]=3 1014 B7R0.6 CC(=O)COC(=O)C 1458a_100000183556_200000210301 [1,0,0,0,0,1|1,0,0]=3 1015 B7R0.6 CC(=O)CSC(=O)C 1458a_100000049016_200000210301 [1,0,0,0,0,1|1,0,0]=3 1016 B7R0.6 CC(=O)NCC(=O)N 11a_100000711301_100015343762 [1,0,0,0,0,1|1,0,0]=3 1017 B7R0.6 CC(=O)NCC(=O)N 240690a_100000711301_100015343762 [1,0,0,0,0,1|1,0,0]=3 1018 B7R0.6 CC(=O)NCC(=O)N 527a_100000711301_100103153847 [1,0,0,0,0,1|1,0,0]=3 1019 B7R0.6 CC(=O)NCC(=O)[13CH3] 1458a_100000194580_200025704644 [1,0,0,0,0,1|1,0,0]=3 1020 B7R0.6 CC(=O)NCC(C)O 11a_100000210904_100015343762 [1,0,0,0,0,1|1,0,1]=4 1021 B7R0.6 CC(=O)NCC(C)O 240690a_100000210904_100015343762 [1,0,0,0,0,1|1,0,1]=4 1022 B7R0.6 CC(=O)NCC(C)O 527a_100000210904_100103153847 [1,0,0,0,0,1|1,0,1]=4 1023 B7R0.6 CC(=O)NNC(=O)C 22a_100000189765_100000070787 [1,0,0,0,0,1|2,0,0]=4 1024 B7R0.6 CC(=O)OCC(=O)[13CH3] 1458a_100000183556_200025704644 [1,0,0,0,0,1|1,0,0]=3 1025 B7R0.6 CC(=O)SCC(=O)[13CH3] 1458a_100000049016_200025704644 [1,0,0,0,0,1|1,0,0]=3 1026 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|1,0,1]=4 1027 B7R0.6 [13CH3]C(=O)CCC(=O)N 1458a_100011215257_200025704644 [1,0,0,0,0,1|1,0,0]=3 1028 B7R0.6 [13CH3]C(=O)CC[N+](=O)[O-] 1458a_200000064761_200025704644 [1,0,0,0,0,1|1,0,1]=4 1029 B7R0.6 [13CH3]C(=O)CNC(=O)N 1458a_100000184981_200025704644 [1,0,0,0,0,1|1,0,0]=3 1030 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,0,2|1,0,0]=3 1031 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000748629 [0,0,0,0,0,2|2,0,0]=4 1032 B9R0.7 C=C(C)CN[C@H](C)C(=O)N 34a_100000119354_100000748629 [0,0,0,0,0,2|2,0,0]=4 1033 B9R0.7 C=C(C)COC(C)C(=O)C 34a_100000212229_100000748629 [0,0,0,0,0,2|2,0,0]=4 1034 B9R0.7 C=C(C)COC(C)C(=O)N 34a_100000210245_100000702099 [0,0,0,0,0,2|2,0,0]=4 1035 B9R0.7 C=C(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000748629 [0,0,0,0,0,2|1,0,1]=4 1036 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 34a_100000731257_100000748629 [0,0,0,0,0,2|2,0,0]=4 1037 B9R0.7 C=C(C)CO[C@H](C)C(=O)N 7a_100000731257_100000748629 [0,0,0,0,0,2|2,0,0]=4 1038 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100000748629_100009814033 [0,0,0,0,0,2|2,0,0]=4 1039 B9R0.7 C=C(C)CSC(C)C(=O)C 62a_100009814033_100000211660 [0,0,0,0,0,2|2,0,0]=4 1040 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000702099_100000211660 [0,0,0,0,0,2|2,0,0]=4 1041 B9R0.7 C=C(C)CSC(C)C(=O)N 62a_100000748629_100000702099 [0,0,0,0,0,2|2,0,0]=4 1042 B9R0.7 C=C(F)CN[C@@H](C)C(=O)O 269956a_100000743915_100000042424 [0,0,0,0,0,2|1,0,1]=4 1043 B9R0.7 C=C(F)COC(C)C(=O)C 34a_100000212229_100009893438 [0,0,0,0,0,2|2,0,0]=4 1044 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100000042424_100009814033 [0,0,0,0,0,2|2,0,0]=4 1045 B9R0.7 C=C(F)CSC(C)C(=O)C 62a_100009814033_100000042424 [0,0,0,0,0,2|2,0,0]=4 1046 B9R0.7 CC(=O)C(C)NCC(=O)N 2230a_100000711301_100009814033 [0,0,0,0,0,2|1,0,0]=3 1047 B9R0.7 CC(=O)C(C)NCC(=O)O 269956a_100016091260_100009814033 [0,0,0,0,0,2|0,0,0]=2 1048 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,0,0,0,0,2|1,0,1]=4 1049 B9R0.7 CC(=O)C(C)OCC(=O)N 34a_100000212229_100000187820 [0,0,0,0,0,2|1,0,0]=3 1050 B9R0.7 CC(=O)C(C)OCC(=O)[O-] 34a_100000212229_100020667443 [0,0,0,0,0,2|0,0,1]=3 1051 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,0,0,0,0,2|1,0,1]=4 1052 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,0,0,0,0,2|1,0,1]=4 1053 B9R0.7 CC(=O)C(C)OC[N+](=O)[O-] 34a_100000212229_100000761209 [0,0,0,0,0,2|1,0,1]=4 1054 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100000747473_100009814033 [0,0,0,0,0,2|1,0,0]=3 1055 B9R0.7 CC(=O)C(C)SCC(=O)N 62a_100009814033_100000747473 [0,0,0,0,0,2|1,0,0]=3 1056 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100009814033_100020667443 [0,0,0,0,0,2|0,0,1]=3 1057 B9R0.7 CC(=O)C(C)SCC(=O)[O-] 62a_100020667443_100009814033 [0,0,0,0,0,2|0,0,1]=3 1058 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,0,0,0,2|1,0,1]=4 1059 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,0,0,0,2|1,0,1]=4 1060 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,0,0,0,2|1,0,1]=4 1061 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,0,0,0,2|1,0,1]=4 1062 B9R0.7 CC(=O)C(C)SC[N+](=O)[O-] 62a_100009814033_100000761209 [0,0,0,0,0,2|1,0,1]=4 1063 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,0,0,0,0,2|2,0,0]=4 1064 B9R0.7 CC(=O)COC(C)C(=O)N 34a_100000211253_100000702099 [0,0,0,0,0,2|1,0,0]=3 1065 B9R0.7 CC(=O)COC(F)C(=O)N 34a_100000211253_100009813875 [0,0,0,0,0,2|2,0,0]=4 1066 B9R0.7 CC(=O)COC(F)C(=O)[O-] 34a_100000211253_100020610796 [0,0,0,0,0,2|1,0,1]=4 1067 B9R0.7 CC(=O)N(C)CCC(=O)N 11a_100000730477_100015343762 [0,0,0,0,0,2|2,0,0]=4 1068 B9R0.7 CC(=O)N(C)CCC(=O)N 240690a_100000730477_100015343762 [0,0,0,0,0,2|2,0,0]=4 1069 B9R0.7 CC(=O)N(C)CCC(=O)N 527a_100000730477_100103153847 [0,0,0,0,0,2|2,0,0]=4 1070 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,0,0,0,0,2|2,0,0]=4 1071 B9R0.7 CC(=O)SC[C@@H](C)C(=O)C 1458a_200015407212_200000210301 [0,0,0,0,0,2|1,0,0]=3 1072 B9R0.7 CC(=O)SC[C@@H](C)C(=O)[13CH3] 1458a_200015407212_200025704644 [0,0,0,0,0,2|1,0,0]=3 1073 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,2|1,0,1]=4 1074 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,2|1,0,1]=4 1075 B9R0.7 CC(NCC(=O)N)C(=O)N 2230a_100000711301_100000702099 [0,0,0,0,0,2|2,0,0]=4 1076 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [0,0,0,0,0,2|0,0,2]=4 1077 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000702099_100000747473 [0,0,0,0,0,2|2,0,0]=4 1078 B9R0.7 CC(SCC(=O)N)C(=O)N 62a_100000747473_100000702099 [0,0,0,0,0,2|2,0,0]=4 1079 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100000702099_100020667443 [0,0,0,0,0,2|1,0,1]=4 1080 B9R0.7 CC(SCC(=O)[O-])C(=O)N 62a_100020667443_100000702099 [0,0,0,0,0,2|1,0,1]=4 1081 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 2230a_100000119354_100000747473 [0,0,0,0,0,2|2,0,0]=4 1082 B9R0.7 C[C@@H](NCC(=O)N)C(=O)N 34a_100000119354_100000187820 [0,0,0,0,0,2|2,0,0]=4 1083 B9R0.7 C[C@@H](NCC(=O)[O-])C(=O)N 34a_100000119354_100020667443 [0,0,0,0,0,2|1,0,1]=4 1084 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 34a_100000731257_100000187820 [0,0,0,0,0,2|2,0,0]=4 1085 B9R0.7 C[C@@H](OCC(=O)N)C(=O)N 7a_100000731257_100000187820 [0,0,0,0,0,2|2,0,0]=4 1086 B9R0.7 C[C@@H](OCC(=O)[O-])C(=O)N 34a_100000731257_100020667443 [0,0,0,0,0,2|1,0,1]=4 1087 B9R0.7 C[C@H](NCC(=O)N)C(=O)O 269956a_100000743915_100000187820 [0,0,0,0,0,2|1,0,0]=3 1088 B9R0.7 C[C@H](NCC(=O)[O-])C(=O)O 269956a_100000743915_100020667443 [0,0,0,0,0,2|1,0,0]=3 1089 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [0,0,0,0,0,2|0,0,2]=4 1090 B9R0.7 C[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000743915_100000761209 [0,0,0,0,0,2|2,0,0]=4 1091 B9R0.7 C[C@H](OCC(=O)N)C(=O)[O-] 7a_217856618621_100000187820 [0,0,0,0,0,2|1,0,1]=4 1092 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,0,2|2,0,0]=4 1093 B9R0.53 CN(CC(=O)N)CC(=O)O 269956a_100000746989_100000187820 [0,0,0,0,0,2|2,0,0]=4 1094 B9R0.53 CN(CC(=O)[O-])CC(=O)O 269956a_100000746989_100020667443 [0,0,0,0,0,2|2,0,0]=4