0 B7R0.16 C=C(Br)C(=O)N(C)C 11a_100102631434_100009813364 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.16 C=C(Br)C(=O)N(C)C 1626a_100102631434_100009813364 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.16 C=C(C)C(=O)C(C)C 1458a_100000185857_100000210206 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.16 C=C(C)C(=O)N(C)C 11a_100102631434_100000185857 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.16 C=C(C)C(=O)N(C)C 1626a_100102631434_100000185857 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.16 C=C(Cl)C(=O)N(C)C 11a_100102631434_100000039160 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.16 C=C(Cl)C(=O)N(C)C 1626a_100102631434_100000039160 [0,0,0,0,0,0|3,0,0]=3 7 B7R0.16 C=C(F)C(=O)N(C)C 11a_100102631434_100000036797 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.16 C=C(F)C(=O)N(C)C 1626a_100102631434_100000036797 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.16 CC(=O)C(=O)N(C)C 1458a_100011218876_200000210301 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [0,0,0,0,0,0|1,0,2]=3 19 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [0,0,0,0,0,0|3,0,1]=4 21 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [0,0,0,0,0,0|2,0,1]=3 23 B7R0.16 CC(C)C(=O)C(C)C 1458a_100000210198_100000210206 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.16 CC(C)C(=O)C(C)F 1458a_100000062450_100000210206 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.16 CC(C)C(=O)C(O)O 1458a_100000233687_100000210206 [0,0,0,0,0,0|0,0,2]=2 26 B7R0.16 CC(C)C(=O)N(C)C 11a_100102631434_100000210198 [0,0,0,0,0,0|3,0,0]=3 27 B7R0.16 CC(C)C(=O)N(C)C 1626a_100102631434_100000210198 [0,0,0,0,0,0|3,0,0]=3 28 B7R0.16 CC(C)C(=O)N(C)C 240690a_100102631434_100000210198 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.16 CC(C)C(=O)N(C)C 527a_100102631434_100000210198 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.16 CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000210206 [0,0,0,0,0,0|1,0,1]=2 31 B7R0.16 CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000210206 [0,0,0,0,0,0|1,0,1]=2 32 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [0,0,0,0,0,0|2,0,1]=3 33 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [0,0,0,0,0,0|1,0,2]=3 34 B7R0.16 CC(F)C(=O)N(C)C 11a_100102631434_100000062450 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.16 CC(F)C(=O)N(C)C 1626a_100102631434_100000062450 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.16 CC(F)C(=O)N(C)C 240690a_100102631434_100000062450 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.16 CC(F)C(=O)N(C)C 527a_100102631434_100000062450 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.16 CN(C)C(=O)C(=O)N 240690a_100102631434_100011215815 [0,0,0,0,0,0|2,0,0]=2 39 B7R0.16 CN(C)C(=O)C(=O)[13CH3] 1458a_100011218876_200025704644 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.16 CN(C)C(=O)C(F)F 11a_100102631434_100000210393 [0,0,0,0,0,0|3,0,1]=4 41 B7R0.16 CN(C)C(=O)C(F)F 1626a_100102631434_100000210393 [0,0,0,0,0,0|3,0,1]=4 42 B7R0.16 CN(C)C(=O)C(F)F 240690a_100102631434_100000210393 [0,0,0,0,0,0|3,0,1]=4 43 B7R0.16 CN(C)C(=O)C(F)F 527a_100102631434_100000210393 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.16 CN(C)C(=O)C(O)O 240690a_100102631434_100000233687 [0,0,0,0,0,0|1,0,2]=3 45 B7R0.16 CN(C)C(F)C(=O)N 2230a_100102631434_100009813875 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.16 CN(C)C(F)C(=O)N 269982a_100102631434_100009813875 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.16 C[C@@H](O)C(=O)N(C)C 240690a_100102631434_100000717761 [0,0,0,0,0,0|2,0,1]=3 49 B7R0.16 C[C@H](O)C(=O)N(C)C 1626a_100102631434_217856618621 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.16 C[C@H](O)C(=O)N(C)C 240690a_100102631434_217856618621 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.2 CC(=CC(=O)[13CH3])C 1458a_100000211388_200025704644 [1,0,0,0,0,0|1,0,1]=3 52 B6R0.2 CC(=CC(=O)[13CH3])Cl 1458a_200042562850_200025704644 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.2 CC(=CC(=O)[13CH3])I 1458a_100025716642_200025704644 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 CC(=O)C=C(C)C 1458a_100000211388_200000210301 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.2 CC(=O)C=C(C)Cl 1458a_200042562850_200000210301 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.2 CC(=O)C=C(C)I 1458a_100025716642_200000210301 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.2 CC(=O)CC(C)C 1458a_100000070787_100000210624 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.2 CC(=O)CC(C)C 1458a_100000210554_200000210301 [1,0,0,0,0,0|1,0,1]=3 59 B6R0.2 CC(=O)CC(C)O 1458a_100000070787_100011218427 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.2 CC(=O)CN(C)C 1458a_100000750896_200000210301 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.2 CC(=O)C[C@@H](C)O 1458a_100011933948_200000210301 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.2 CC(=O)C[S+](C)C 1458a_200159257847_200000210301 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.2 CC(=O)NC(C)C 11a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.2 CC(=O)NC(C)C 1626a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.2 CC(=O)NC(C)C 240690a_100138425928_100015343762 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.2 CC(=O)NC(C)C 527a_100138425928_100103153847 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.2 CC(C)CC(=O)[13CH3] 1458a_100000210554_200025704644 [1,0,0,0,0,0|1,0,1]=3 68 B6R0.2 CN(C)CC(=O)N 2230a_100000739694_200000210301 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.2 CN(C)CC(=O)N 2230a_100102631434_100000747473 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.2 CN(C)CC(=O)N 269982a_100102631434_100000187820 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.2 CN(C)CC(=O)O 269956a_100000746989_200000210301 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.2 CN(C)CC(=O)[13CH3] 1458a_100000750896_200025704644 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.2 CN(C)CC(=O)[O-] 269982a_100102631434_100020667443 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.2 CN([13CH3])CC(=O)N 2230a_100000739694_200025704644 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.2 CN([13CH3])CC(=O)O 269956a_100000746989_200025704644 [1,0,0,0,0,0|1,0,1]=3 76 B6R0.2 C[C@@H](O)CC(=O)[13CH3] 1458a_100011933948_200025704644 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.2 C[S+](C)CC(=O)[13CH3] 1458a_200159257847_200025704644 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.3 C#CC(=O)C(C)C 1458a_100000211873_100000210206 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.3 C=C(Br)C(=O)NC 11a_106832991635_100009813364 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.3 C=C(Br)C(=O)NC 1626a_100102657272_100009813364 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [1,0,0,0,0,0|2,0,0]=3 84 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.3 C=C(Cl)C(=O)NC 11a_106832991635_100000039160 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.3 C=C(Cl)C(=O)NC 1626a_100102657272_100000039160 [1,0,0,0,0,0|3,0,0]=4 89 B6R0.3 C=C(F)C(=O)NC 11a_106832991635_100000036797 [1,0,0,0,0,0|3,0,0]=4 90 B6R0.3 C=C(F)C(=O)NC 1626a_100102657272_100000036797 [1,0,0,0,0,0|3,0,0]=4 91 B6R0.3 C=CC(=O)C(C)C 1458a_100000185746_100000210206 [1,0,0,0,0,0|1,0,0]=2 92 B6R0.3 C=CC(=O)N(C)C 1626a_100102631434_100000185746 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.3 C=CC(=O)N(C)C 240690a_100102631434_200121576911 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.3 CC(C)C(=O)CF 1458a_100000210198_100015361967 [1,0,0,0,0,0|1,0,1]=3 95 B6R0.3 CC(C)C(=O)CO 1458a_100000210174_100000210206 [1,0,0,0,0,0|0,0,1]=2 96 B6R0.3 CC(F)C(=O)CF 1458a_100000062450_100015361967 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [1,0,0,0,0,0|0,0,2]=3 101 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [1,0,0,0,0,0|1,0,1]=3 106 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [1,0,0,0,0,0|1,0,1]=3 107 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [1,0,0,0,0,0|1,0,2]=4 111 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 113 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 114 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [1,0,0,0,0,0|3,0,0]=4 115 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [1,0,0,0,0,0|3,0,0]=4 116 B6R0.3 CN(C)C(=O)CO 240690a_100102631434_100000210174 [1,0,0,0,0,0|1,0,1]=3 117 B6R0.3 CN(C)C(=O)CO 527a_100102631434_100000210174 [1,0,0,0,0,0|1,0,1]=3 118 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.3 CNC(=O)C(C)C 11a_106832991635_100000210198 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.3 CNC(=O)C(C)C 1626a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 123 B6R0.3 CNC(=O)C(C)C 240690a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 124 B6R0.3 CNC(=O)C(C)C 527a_100102657272_100000210198 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.3 CNC(=O)C(C)F 11a_106832991635_100000062450 [1,0,0,0,0,0|3,0,0]=4 126 B6R0.3 CNC(=O)C(C)F 1626a_100102657272_100000062450 [1,0,0,0,0,0|3,0,0]=4 127 B6R0.3 CNC(=O)C(C)F 240690a_100102657272_100000062450 [1,0,0,0,0,0|3,0,0]=4 128 B6R0.3 CNC(=O)C(C)F 527a_100102657272_100000062450 [1,0,0,0,0,0|3,0,0]=4 129 B6R0.3 CNC(=O)C(O)O 240690a_100102657272_100000233687 [1,0,0,0,0,0|1,0,2]=4 130 B6R0.3 CNC(=O)N(C)C 2708a_100102657272_100102631434 [1,0,0,0,0,0|3,0,0]=4 131 B6R0.3 CNC(=O)[C@@H](C)O 240690a_100102657272_100000717761 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.3 CNC(=O)[C@H](C)O 1626a_100102657272_217856618621 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.3 CNC(=O)[C@H](C)O 240690a_100102657272_217856618621 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.3 CN[C@@H](C)C(=O)O 269956a_100000743915_200000210301 [1,0,0,0,0,0|2,0,1]=4 135 B6R0.3 C[C@@H](O)C(=O)CF 1458a_100000717761_100015361967 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.3 C[C@H](N[13CH3])C(=O)O 269956a_100000743915_200025704644 [1,0,0,0,0,0|2,0,1]=4 137 B6R0.3 C[C@H](O)C(=O)CF 1458a_217856618621_100015361967 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.3 O=C(CF)C(O)O 1458a_100000233687_100015361967 [1,0,0,0,0,0|1,0,2]=4 139 B8R0.2 C#CC(C)C(=O)C(=C)C 1458a_100000185857_200000035995 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.2 C#CC(C)C(=O)C(C)C 1458a_100000210198_200000035995 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.2 C#CC(C)C(=O)C(O)O 1458a_100000233687_200000035995 [0,1,0,0,0,0|0,0,3]=4 142 B8R0.2 C#CC(C)C(=O)[C@@H](C)O 1458a_100000717761_200000035995 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.2 C#CC(C)C(=O)[C@H](C)O 1458a_217856618621_200000035995 [0,1,0,0,0,0|1,0,2]=4 144 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [0,1,0,0,0,0|3,0,0]=4 146 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [0,1,0,0,0,0|3,0,0]=4 147 B8R0.2 C=C(Br)C(=O)N(C)CC 11a_100000225621_100009813364 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.2 C=C(Br)C(=O)N(C)CC 1626a_100000225621_100009813364 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.2 C=C(C)C(=O)C(C)C#N 1458a_100000185857_100000703298 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [0,1,0,0,0,0|3,0,0]=4 152 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.2 C=C(Cl)C(=O)N(C)CC 11a_100000225621_100000039160 [0,1,0,0,0,0|3,0,0]=4 154 B8R0.2 C=C(Cl)C(=O)N(C)CC 1626a_100000225621_100000039160 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.2 C=C(F)C(=O)N(C)CC 11a_100000225621_100000036797 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.2 C=C(F)C(=O)N(C)CC 1626a_100000225621_100000036797 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.2 C=CC(=O)N(C)C(C)C 1626a_200000211004_100000185746 [0,1,0,0,0,0|3,0,0]=4 158 B8R0.2 C=CC(=O)N(C)C(C)C 240690a_200000211004_200121576911 [0,1,0,0,0,0|3,0,0]=4 159 B8R0.2 C=CC(C)C(=O)C(C)C 1458a_100011216780_100000210206 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.2 CC(=O)N(C)C(C)CO 240690a_100000693034_100015343762 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.2 CC(=O)N(C)C(C)CO 527a_100000693034_100103153847 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.2 CC(C#N)C(=O)C(O)O 1458a_100000233687_100000703298 [0,1,0,0,0,0|0,0,3]=4 163 B8R0.2 CC(C#N)C(=O)[C@@H](C)O 1458a_100000717761_100000703298 [0,1,0,0,0,0|1,0,2]=4 164 B8R0.2 CC(C#N)C(=O)[C@H](C)O 1458a_217856618621_100000703298 [0,1,0,0,0,0|1,0,2]=4 165 B8R0.2 CC(C(=O)O)N(C)CF 269956a_100000749554_100015361967 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.2 CC(C)C(=O)C(C)C#N 1458a_100000210198_100000703298 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.2 CC(C)C(=O)C(C)C#N 1458a_100000753662_100000210206 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_100009893295_200025704644 [0,1,0,0,0,0|1,1,1]=4 169 B8R0.2 CC(C)C(=O)C(C)S[13CH3] 62a_200025704644_100009893295 [0,1,0,0,0,0|1,1,1]=4 170 B8R0.2 CC(C)C(=O)C(O)CO 1458a_100011215603_100000210206 [0,1,0,0,0,0|0,0,2]=3 171 B8R0.2 CC(C)C(C)C(=O)CF 1458a_100000755409_100015361967 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.2 CC(C)N(C)C(=O)CO 240690a_200000211004_100000210174 [0,1,0,0,0,0|2,0,0]=3 173 B8R0.2 CC(C)N(C)C(=O)CO 527a_200000211004_100000210174 [0,1,0,0,0,0|2,0,0]=3 174 B8R0.2 CC(C)[C@@H](O)C(=O)CF 1458a_100000691806_100015361967 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_100000209910_200025704644 [0,1,0,0,0,0|3,0,0]=4 176 B8R0.2 CC(S[13CH3])C(=O)N(C)C 62a_200025704644_100000209910 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.2 CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210202 [0,1,0,0,0,0|2,0,0]=3 178 B8R0.2 CCC(=O)C(C)C(C)C 1458a_100000755409_100000210202 [0,1,0,0,0,0|2,0,1]=4 179 B8R0.2 CCC(=O)N(C)C(C)C 11a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 180 B8R0.2 CCC(=O)N(C)C(C)C 1626a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.2 CCC(=O)N(C)C(C)C 240690a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.2 CCC(=O)N(C)C(C)C 527a_200000211004_100000210414 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.2 CCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210202 [0,1,0,0,0,0|1,0,2]=4 184 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [0,1,0,0,0,0|0,0,2]=3 188 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 191 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 195 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 196 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [0,1,0,0,0,0|3,0,0]=4 198 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [0,1,0,0,0,0|2,0,1]=4 200 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [0,1,0,0,0,0|2,0,0]=3 201 B8R0.2 CCN(C)C(=O)C(C)C 11a_100000225621_100000210198 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.2 CCN(C)C(=O)C(C)C 1626a_100000225621_100000210198 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.2 CCN(C)C(=O)C(C)C 240690a_100000225621_100000210198 [0,1,0,0,0,0|3,0,0]=4 204 B8R0.2 CCN(C)C(=O)C(C)C 527a_100000225621_100000210198 [0,1,0,0,0,0|3,0,0]=4 205 B8R0.2 CCN(C)C(=O)C(O)O 240690a_100000225621_100000233687 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [0,1,0,0,0,0|2,0,1]=4 208 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.2 CN(C)C(=O)C(=O)CF 1458a_100011218876_100015361967 [0,1,0,0,0,0|2,0,0]=3 211 B8R0.2 CN(C)C(=O)C(O)CO 240690a_100102631434_100011215603 [0,1,0,0,0,0|1,0,2]=4 212 B8R0.2 CNC(=O)C(=O)C(C)C 1458a_100011218921_100000210206 [0,1,0,0,0,0|1,0,0]=2 213 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102631434_100011218921 [0,1,0,0,0,0|2,0,0]=3 214 B8R0.2 CNC(=O)C(=O)N(C)C 1626a_100102657272_100011218876 [0,1,0,0,0,0|2,0,0]=3 215 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102631434_100011218921 [0,1,0,0,0,0|2,0,0]=3 216 B8R0.2 CNC(=O)C(=O)N(C)C 240690a_100102657272_100011218876 [0,1,0,0,0,0|2,0,0]=3 217 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102631434_100011218921 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.2 CNC(=O)C(=O)N(C)C 527a_100102657272_100011218876 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.2 CNC(=O)C(C)C(C)C 11a_106832991635_100000755409 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.2 CNC(=O)C(C)C(C)C 1626a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.2 CNC(=O)C(C)C(C)C 240690a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 222 B8R0.2 CNC(=O)C(C)C(C)C 527a_100102657272_100000755409 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.2 CNC(=O)N(C)C(C)C 2708a_100102657272_200000211004 [0,1,0,0,0,0|3,0,0]=4 224 B8R0.2 CNC(=O)N(C)C(C)C 273464a_100102657272_200000211004 [0,1,0,0,0,0|3,0,0]=4 225 B8R0.2 CNC(=O)[C@H](O)C(C)C 240690a_100102657272_100000691806 [0,1,0,0,0,0|1,0,2]=4 226 B8R0.2 CNC(C)C(=O)C(C)C 2230a_106832991635_100009893295 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.2 CNC(C)C(=O)C(C)C 7a_106832991635_100009893295 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.2 CNC(C)C(=O)N(C)C 2230a_106832991635_100000209910 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.2 CNC(C)C(=O)N(C)C 7a_106832991635_100000209910 [0,1,0,0,0,0|3,0,0]=4 230 B8R0.2 CN[C@@H](C)C(=O)N(C)C 2230a_100000697320_200000210301 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.2 CN[C@@H](C)C(=O)N(C)C 34a_100000697320_200000210301 [0,1,0,0,0,0|3,0,0]=4 232 B8R0.2 COC(=O)C(=O)N(C)C 11a_100102631434_100000024059 [0,1,0,0,0,0|1,0,0]=2 233 B8R0.2 COC(=O)C(=O)N(C)C 1626a_100102631434_100000024059 [0,1,0,0,0,0|1,0,0]=2 234 B8R0.2 COC(=O)C(=O)N(C)C 240690a_100102631434_100000024059 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.2 COC(=O)C(=O)N(C)C 527a_100102631434_100000024059 [0,1,0,0,0,0|1,0,0]=2 236 B8R0.2 COC(=O)C(C)N(C)C 2230a_100000725243_200000210301 [0,1,0,0,0,0|2,0,1]=4 237 B8R0.2 COC(=O)C(C)N(C)C 2230a_100102631434_100000211248 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.2 COC(=O)C(C)N(C)C 269982a_100000725243_200000210301 [0,1,0,0,0,0|2,0,1]=4 239 B8R0.2 COC(=O)C(C)N(C)C 269982a_100102631434_100000211248 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.2 COC(=O)C(C)N(C)[13CH3] 2230a_100000725243_200025704644 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.2 COC(=O)C(C)N(C)[13CH3] 269982a_100000725243_200025704644 [0,1,0,0,0,0|2,0,1]=4 242 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [0,1,0,0,0,0|1,0,1]=3 243 B8R0.2 COC(C)C(=O)N(C)C 11a_100102631434_100000743197 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.2 COC(C)C(=O)N(C)C 1626a_100102631434_100000743197 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.2 COC(C)C(=O)N(C)C 240690a_100102631434_100000743197 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.2 COC(C)C(=O)N(C)C 527a_100102631434_100000743197 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.2 CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_200000210301 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.2 CSC(C)C(=O)C(C)C 1458a_100000149566_100000210206 [0,1,0,0,0,0|1,1,1]=4 249 B8R0.2 CSC(C)C(=O)C(C)C 62a_100009893295_200000210301 [0,1,0,0,0,0|1,1,1]=4 250 B8R0.2 CSC(C)C(=O)C(C)C 62a_200000210301_100009893295 [0,1,0,0,0,0|1,1,1]=4 251 B8R0.2 CSC(C)C(=O)N(C)C 11a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 252 B8R0.2 CSC(C)C(=O)N(C)C 1626a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 253 B8R0.2 CSC(C)C(=O)N(C)C 240690a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 254 B8R0.2 CSC(C)C(=O)N(C)C 527a_100102631434_100000149566 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.2 CSC(C)C(=O)N(C)C 62a_100000209910_200000210301 [0,1,0,0,0,0|3,0,0]=4 256 B8R0.2 CSC(C)C(=O)N(C)C 62a_200000210301_100000209910 [0,1,0,0,0,0|3,0,0]=4 257 B8R0.2 C[C@@H](O[13CH3])[C@H](N)C(=O)N 34a_100000003557_200025704644 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 2230a_100000697320_200025704644 [0,1,0,0,0,0|3,0,0]=4 259 B8R0.2 C[C@H](N[13CH3])C(=O)N(C)C 34a_100000697320_200025704644 [0,1,0,0,0,0|3,0,0]=4 260 B8R0.18 CC(=C(C#N)C(=O)[13CH3])C 1458a_100000137542_200025704644 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.18 CC(=O)C(=C(C)C)C#N 1458a_100000137542_200000210301 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,1,0,0,0,0|1,1,1]=4 263 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,1,0,0,0,0|1,1,1]=4 264 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,1,0,0,0,0|1,0,1]=3 265 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,1,0,0,0,0|3,0,0]=4 269 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,1,0,0,0,0|2,0,1]=4 275 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,1,0,0,0,0|1,0,1]=3 276 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,1,0,0,0,0|1,0,2]=4 277 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,1,0,0,0,0|1,1,1]=4 278 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,1,0,0,0,0|1,1,1]=4 279 B8R0.27 CC(=O)N(C)C(C)(C)C 11a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.27 CC(=O)N(C)C(C)(C)C 1626a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.27 CC(=O)N(C)C(C)(C)C 240690a_100011215553_100015343762 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.27 CC(=O)[C@@H](O)C(C)(C)C 1458a_100009816492_200000210301 [0,1,0,0,0,0|1,0,2]=4 283 B8R0.27 CC(C)(C)[C@H](O)C(=O)[13CH3] 1458a_100009816492_200025704644 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.27 CC(C)C(=O)C(C)(C)C 1458a_106744555173_100000210206 [0,1,0,0,0,0|2,0,1]=4 285 B8R0.27 CC(C)C(=O)C(C)(C)F 1458a_100000765255_100000210206 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.27 CC(C)C(=O)C(C)(C)O 1458a_100000242741_100000210206 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.27 CC(C)C(=O)C(F)(F)F 1458a_100000210198_200000243211 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.27 CC(C)C(=O)C(F)(F)F 1458a_100015355933_100000210206 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.27 CN(C)C(=O)C(C)(C)C 11a_100102631434_106744555173 [0,1,0,0,0,0|3,0,0]=4 290 B8R0.27 CN(C)C(=O)C(C)(C)C 1626a_100102631434_106744555173 [0,1,0,0,0,0|3,0,0]=4 291 B8R0.27 CN(C)C(=O)C(C)(C)C 240690a_100102631434_106744555173 [0,1,0,0,0,0|3,0,0]=4 292 B8R0.27 CN(C)C(=O)C(C)(C)C 527a_100102631434_106744555173 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.27 CN(C)C(=O)C(C)(C)F 11a_100102631434_100000765255 [0,1,0,0,0,0|3,0,0]=4 294 B8R0.27 CN(C)C(=O)C(C)(C)F 1626a_100102631434_100000765255 [0,1,0,0,0,0|3,0,0]=4 295 B8R0.27 CN(C)C(=O)C(C)(C)F 240690a_100102631434_100000765255 [0,1,0,0,0,0|3,0,0]=4 296 B8R0.27 CN(C)C(=O)C(C)(C)F 527a_100102631434_100000765255 [0,1,0,0,0,0|3,0,0]=4 297 B8R0.27 CN(C)C(=O)C(C)(C)O 240690a_100102631434_100000242741 [0,1,0,0,0,0|2,0,1]=4 298 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 299 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [0,0,0,1,0,0|3,0,0]=4 300 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [0,0,0,1,0,0|3,0,0]=4 301 B8R1.31 CN1CCC1C(=O)O 269956a_100000021838_200000210301 [0,0,0,1,0,0|2,0,1]=4 302 B8R1.31 [13CH3]N1CCC1C(=O)O 269956a_100000021838_200025704644 [0,0,0,1,0,0|2,0,1]=4 303 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 304 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 305 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [0,0,0,1,0,0|3,0,0]=4 306 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [0,0,0,1,0,0|3,0,0]=4 307 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [0,0,0,1,0,0|2,0,1]=4 308 B8R1.54 CC(C)C(=O)C1CO1 1458a_100000701028_100000210206 [0,0,0,1,0,0|1,0,1]=3 309 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 310 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 311 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 312 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [0,0,0,1,0,0|3,0,0]=4 313 B8R1.54 CN(C)C(=O)C1CO1 11a_100102631434_100000701028 [0,0,0,1,0,0|2,0,1]=4 314 B8R1.54 CN(C)C(=O)C1CO1 1626a_100102631434_100000701028 [0,0,0,1,0,0|2,0,1]=4 315 B8R1.54 CN(C)C(=O)C1CO1 240690a_100102631434_100000701028 [0,0,0,1,0,0|2,0,1]=4 316 B8R1.54 CN(C)C(=O)C1CO1 527a_100102631434_100000701028 [0,0,0,1,0,0|2,0,1]=4 317 B8R1.77 CC(=O)[C@H]1CC1(C)C 1458a_100000692687_200000210301 [0,0,0,1,0,0|2,0,1]=4 318 B8R1.77 CC1(C[C@@H]1C(=O)[13CH3])C 1458a_100000692687_200025704644 [0,0,0,1,0,0|2,0,1]=4 319 B8R0.23 C=C(Br)C(=O)NC(C)C 11a_100138425928_100009813364 [0,0,0,0,0,1|2,0,0]=3 320 B8R0.23 C=C(Br)C(=O)NC(C)C 1626a_100138425928_100009813364 [0,0,0,0,0,1|2,0,0]=3 321 B8R0.23 C=C(C)C(=O)CC(=O)N 1458a_100000185857_100000187820 [0,0,0,0,0,1|1,0,2]=4 322 B8R0.23 C=C(C)C(=O)CC(=O)[O-] 1458a_100000185857_100020667443 [0,0,0,0,0,1|0,0,3]=4 323 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [0,0,0,0,0,1|2,0,0]=3 324 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [0,0,0,0,0,1|3,0,0]=4 325 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [0,0,0,0,0,1|2,0,0]=3 326 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [0,0,0,0,0,1|2,0,0]=3 327 B8R0.23 C=C(C)CC(=O)C(C)C 1458a_100000210198_100000748629 [0,0,0,0,0,1|2,0,0]=3 328 B8R0.23 C=C(C)CC(=O)C(C)F 1458a_100000062450_100000748629 [0,0,0,0,0,1|3,0,0]=4 329 B8R0.23 C=C(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748629 [0,0,0,0,0,1|3,0,0]=4 330 B8R0.23 C=C(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748629 [0,0,0,0,0,1|3,0,0]=4 331 B8R0.23 C=C(Cl)C(=O)NC(C)C 11a_100138425928_100000039160 [0,0,0,0,0,1|2,0,0]=3 332 B8R0.23 C=C(Cl)C(=O)NC(C)C 1626a_100138425928_100000039160 [0,0,0,0,0,1|2,0,0]=3 333 B8R0.23 C=C(F)C(=O)NC(C)C 11a_100138425928_100000036797 [0,0,0,0,0,1|2,0,0]=3 334 B8R0.23 C=C(F)C(=O)NC(C)C 1626a_100138425928_100000036797 [0,0,0,0,0,1|2,0,0]=3 335 B8R0.23 C=C(F)CC(=O)C(C)C 1458a_100000210198_100009893438 [0,0,0,0,0,1|2,0,0]=3 336 B8R0.23 C=C(F)CC(=O)C(C)F 1458a_100000062450_100009893438 [0,0,0,0,0,1|3,0,0]=4 337 B8R0.23 C=C(F)CC(=O)[C@@H](C)O 1458a_100000717761_100009893438 [0,0,0,0,0,1|3,0,0]=4 338 B8R0.23 C=C(F)CC(=O)[C@H](C)O 1458a_217856618621_100009893438 [0,0,0,0,0,1|3,0,0]=4 339 B8R0.23 CC(=CC(=O)C(C)C)C 1458a_100000211388_100000210206 [0,0,0,0,0,1|2,0,0]=3 340 B8R0.23 CC(=CC(=O)C(C)C)Cl 1458a_200042562850_100000210206 [0,0,0,0,0,1|2,0,0]=3 341 B8R0.23 CC(=CC(=O)C(C)C)I 1458a_100025716642_100000210206 [0,0,0,0,0,1|2,0,0]=3 342 B8R0.23 CC(=CC(=O)N(C)C)C 11a_100102631434_100000211388 [0,0,0,0,0,1|3,0,0]=4 343 B8R0.23 CC(=CC(=O)N(C)C)C 1626a_100102631434_100000211388 [0,0,0,0,0,1|3,0,0]=4 344 B8R0.23 CC(=CC(=O)N(C)C)C 240690a_100102631434_100000211388 [0,0,0,0,0,1|3,0,0]=4 345 B8R0.23 CC(=CC(=O)N(C)C)Cl 11a_100102631434_200042562850 [0,0,0,0,0,1|3,0,0]=4 346 B8R0.23 CC(=CC(=O)N(C)C)Cl 1626a_100102631434_200042562850 [0,0,0,0,0,1|3,0,0]=4 347 B8R0.23 CC(=CC(=O)N(C)C)Cl 240690a_100102631434_200042562850 [0,0,0,0,0,1|3,0,0]=4 348 B8R0.23 CC(=CC(=O)N(C)C)I 11a_100102631434_100025716642 [0,0,0,0,0,1|3,0,0]=4 349 B8R0.23 CC(=CC(=O)N(C)C)I 1626a_100102631434_100025716642 [0,0,0,0,0,1|3,0,0]=4 350 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [0,0,0,0,0,1|2,0,0]=3 351 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [0,0,0,0,0,1|1,0,0]=2 352 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [0,0,0,0,0,1|2,0,1]=4 353 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [0,0,0,0,0,1|2,0,1]=4 354 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [0,0,0,0,0,1|2,0,1]=4 355 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [0,0,0,0,0,1|2,0,1]=4 356 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [0,0,0,0,0,1|2,0,1]=4 357 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [0,0,0,0,0,1|2,0,1]=4 358 B8R0.23 CC(=O)CC(=O)C(C)C 1458a_100000070787_100000753385 [0,0,0,0,0,1|1,0,0]=2 359 B8R0.23 CC(=O)CC(=O)N(C)C 1458a_100000070787_100000185267 [0,0,0,0,0,1|2,0,0]=3 360 B8R0.23 CC(=O)CN(C)C(C)C 1458a_100000743827_200000210301 [0,0,0,0,0,1|3,0,0]=4 361 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 362 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 363 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [0,0,0,0,0,1|3,0,0]=4 364 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [0,0,0,0,0,1|3,0,0]=4 365 B8R0.23 CC(=O)NC(C)C(C)C 11a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 366 B8R0.23 CC(=O)NC(C)C(C)C 1626a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 367 B8R0.23 CC(=O)NC(C)C(C)C 240690a_100000211541_100015343762 [0,0,0,0,0,1|2,0,1]=4 368 B8R0.23 CC(=O)NC(C)C(C)C 527a_100000211541_100103153847 [0,0,0,0,0,1|2,0,1]=4 369 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [0,0,0,0,0,1|1,0,2]=4 370 B8R0.23 CC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000210206 [0,0,0,0,0,1|2,0,0]=3 371 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100000210198_100000187820 [0,0,0,0,0,1|1,0,0]=2 372 B8R0.23 CC(C)C(=O)CC(=O)N 1458a_100134613110_100000210206 [0,0,0,0,0,1|1,0,0]=2 373 B8R0.23 CC(C)C(=O)CC(=O)[O-] 1458a_100000210198_100020667443 [0,0,0,0,0,1|0,0,1]=2 374 B8R0.23 CC(C)C(=O)CC(F)F 1458a_100000210198_100011934356 [0,0,0,0,0,1|2,0,1]=4 375 B8R0.23 CC(C)C(=O)CN(C)C 1458a_100000750896_100000210206 [0,0,0,0,0,1|3,0,0]=4 376 B8R0.23 CC(C)C(=O)CN(C)C 2230a_100102631434_100000753385 [0,0,0,0,0,1|3,0,0]=4 377 B8R0.23 CC(C)C(=O)CN(C)C 269982a_100102631434_100000753385 [0,0,0,0,0,1|3,0,0]=4 378 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [0,0,0,0,0,1|1,0,1]=3 379 B8R0.23 CC(C)C(=O)C[N+](=O)[O-] 1458a_100000210198_100000761209 [0,0,0,0,0,1|1,0,1]=3 380 B8R0.23 CC(C)C(=O)C[S+](C)C 1458a_200159257847_100000210206 [0,0,0,0,0,1|3,0,0]=4 381 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [0,0,0,0,0,1|2,0,1]=4 382 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [0,0,0,0,0,1|2,0,1]=4 383 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [0,0,0,0,0,1|2,0,1]=4 384 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [0,0,0,0,0,1|0,0,2]=3 385 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [0,0,0,0,0,1|3,0,0]=4 386 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [0,0,0,0,0,1|3,0,0]=4 387 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [0,0,0,0,0,1|3,0,0]=4 388 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [0,0,0,0,0,1|3,0,0]=4 389 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [0,0,0,0,0,1|1,0,1]=3 390 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [0,0,0,0,0,1|1,0,1]=3 391 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [0,0,0,0,0,1|1,0,2]=4 392 B8R0.23 CC(C)N(C)CC(=O)N 2230a_100000739694_100000210206 [0,0,0,0,0,1|3,0,0]=4 393 B8R0.23 CC(C)N(C)CC(=O)N 269982a_200000211004_100000187820 [0,0,0,0,0,1|3,0,0]=4 394 B8R0.23 CC(C)N(C)CC(=O)O 269956a_100000746989_100000210206 [0,0,0,0,0,1|2,0,0]=3 395 B8R0.23 CC(C)N(C)CC(=O)[13CH3] 1458a_100000743827_200025704644 [0,0,0,0,0,1|3,0,0]=4 396 B8R0.23 CC(C)N(C)CC(=O)[O-] 269982a_200000211004_100020667443 [0,0,0,0,0,1|2,0,1]=4 397 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [0,0,0,0,0,1|1,0,0]=2 398 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [0,0,0,0,0,1|1,0,0]=2 399 B8R0.23 CC(C)NC(=O)C(C)C 11a_100138425928_100000210198 [0,0,0,0,0,1|2,0,1]=4 400 B8R0.23 CC(C)NC(=O)C(C)C 1626a_100138425928_100000210198 [0,0,0,0,0,1|2,0,1]=4 401 B8R0.23 CC(C)NC(=O)C(C)C 240690a_100138425928_100000210198 [0,0,0,0,0,1|2,0,1]=4 402 B8R0.23 CC(C)NC(=O)C(C)C 527a_100138425928_100000210198 [0,0,0,0,0,1|2,0,1]=4 403 B8R0.23 CC(C)NC(=O)C(C)F 11a_100138425928_100000062450 [0,0,0,0,0,1|2,0,1]=4 404 B8R0.23 CC(C)NC(=O)C(C)F 1626a_100138425928_100000062450 [0,0,0,0,0,1|2,0,1]=4 405 B8R0.23 CC(C)NC(=O)C(C)F 240690a_100138425928_100000062450 [0,0,0,0,0,1|2,0,1]=4 406 B8R0.23 CC(C)NC(=O)C(C)F 527a_100138425928_100000062450 [0,0,0,0,0,1|2,0,1]=4 407 B8R0.23 CC(C)NC(=O)C(F)F 11a_100138425928_100000210393 [0,0,0,0,0,1|2,0,1]=4 408 B8R0.23 CC(C)NC(=O)C(F)F 1626a_100138425928_100000210393 [0,0,0,0,0,1|2,0,1]=4 409 B8R0.23 CC(C)NC(=O)C(F)F 240690a_100138425928_100000210393 [0,0,0,0,0,1|2,0,1]=4 410 B8R0.23 CC(C)NC(=O)C(F)F 527a_100138425928_100000210393 [0,0,0,0,0,1|2,0,1]=4 411 B8R0.23 CC(C)NC(=O)C(O)O 240690a_100138425928_100000233687 [0,0,0,0,0,1|0,0,2]=3 412 B8R0.23 CC(C)NC(=O)N(C)C 2708a_100138425928_100102631434 [0,0,0,0,0,1|3,0,0]=4 413 B8R0.23 CC(C)NC(=O)[C@@H](C)O 240690a_100138425928_100000717761 [0,0,0,0,0,1|1,0,1]=3 414 B8R0.23 CC(C)NC(=O)[C@H](C)O 1626a_100138425928_217856618621 [0,0,0,0,0,1|1,0,1]=3 415 B8R0.23 CC(C)NC(=O)[C@H](C)O 240690a_100138425928_217856618621 [0,0,0,0,0,1|1,0,1]=3 416 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [0,0,0,0,0,1|2,0,1]=4 417 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [0,0,0,0,0,1|2,0,1]=4 418 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [0,0,0,0,0,1|2,0,1]=4 419 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [0,0,0,0,0,1|2,0,1]=4 420 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [0,0,0,0,0,1|1,0,2]=4 421 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [0,0,0,0,0,1|1,0,1]=3 422 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [0,0,0,0,0,1|2,0,1]=4 423 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [0,0,0,0,0,1|2,0,1]=4 424 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [0,0,0,0,0,1|2,0,1]=4 425 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [0,0,0,0,0,1|2,0,1]=4 426 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [0,0,0,0,0,1|1,0,2]=4 427 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [0,0,0,0,0,1|1,0,2]=4 428 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [0,0,0,0,0,1|2,0,1]=4 429 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [0,0,0,0,0,1|2,0,1]=4 430 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [0,0,0,0,0,1|2,0,1]=4 431 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [0,0,0,0,0,1|2,0,1]=4 432 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [0,0,0,0,0,1|2,0,1]=4 433 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [0,0,0,0,0,1|2,0,1]=4 434 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [0,0,0,0,0,1|1,0,2]=4 435 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [0,0,0,0,0,1|1,0,2]=4 436 B8R0.23 CC(F)C(=O)CC(=O)N 1458a_100000062450_100000187820 [0,0,0,0,0,1|2,0,0]=3 437 B8R0.23 CC(F)C(=O)CC(=O)[O-] 1458a_100000062450_100020667443 [0,0,0,0,0,1|1,0,1]=3 438 B8R0.23 CC(F)C(=O)C[N+](=O)[O-] 1458a_100000062450_100000761209 [0,0,0,0,0,1|2,0,1]=4 439 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [0,0,0,0,0,1|1,0,1]=3 440 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [0,0,0,0,0,1|2,0,1]=4 441 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [0,0,0,0,0,1|1,0,2]=4 442 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [0,0,0,0,0,1|2,0,1]=4 443 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [0,0,0,0,0,1|2,0,1]=4 444 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 1626a_100102631434_100000137448 [0,0,0,0,0,1|3,0,0]=4 445 B8R0.23 CN(C)C(=O)C=C(Cl)Cl 240690a_100102631434_100000137448 [0,0,0,0,0,1|3,0,0]=4 446 B8R0.23 CN(C)C(=O)CC(=O)N 240690a_100102631434_100134613110 [0,0,0,0,0,1|2,0,0]=3 447 B8R0.23 CN(C)C(=O)CC(=O)N 527a_100102631434_100134613110 [0,0,0,0,0,1|2,0,0]=3 448 B8R0.23 C[C@@H](O)C(=O)CC(=O)N 1458a_100000717761_100000187820 [0,0,0,0,0,1|2,0,0]=3 449 B8R0.23 C[C@@H](O)C(=O)CC(=O)[O-] 1458a_100000717761_100020667443 [0,0,0,0,0,1|1,0,1]=3 450 B8R0.23 C[C@@H](O)C(=O)C[N+](=O)[O-] 1458a_100000717761_100000761209 [0,0,0,0,0,1|2,0,1]=4 451 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [0,0,0,0,0,1|2,0,1]=4 452 B8R0.23 C[C@H](O)C(=O)CC(=O)N 1458a_217856618621_100000187820 [0,0,0,0,0,1|2,0,0]=3 453 B8R0.23 C[C@H](O)C(=O)CC(=O)[O-] 1458a_217856618621_100020667443 [0,0,0,0,0,1|1,0,1]=3 454 B8R0.23 C[C@H](O)C(=O)C[N+](=O)[O-] 1458a_217856618621_100000761209 [0,0,0,0,0,1|2,0,1]=4 455 B8R0.23 NC(=O)CC(=O)C(O)O 1458a_100000233687_100000187820 [0,0,0,0,0,1|3,0,0]=4 456 B8R0.23 O=C([O-])CC(=O)C(O)O 1458a_100000233687_100020667443 [0,0,0,0,0,1|2,0,1]=4 457 B5R0.1 CC=CC(=O)C 1458a_100000210699_200000210301 [2,0,0,0,0,0|1,0,1]=4 458 B5R0.1 CC=CC(=O)[13CH3] 1458a_100000210699_200025704644 [2,0,0,0,0,0|1,0,1]=4 459 B5R0.1 CCCC(=O)C 1458a_100000070787_100000210303 [2,0,0,0,0,0|1,0,1]=4 460 B5R0.1 CCCC(=O)C 1458a_100000211992_200000210301 [2,0,0,0,0,0|1,0,1]=4 461 B5R0.1 CCCC(=O)[13CH3] 1458a_100000211992_200025704644 [2,0,0,0,0,0|1,0,1]=4 462 B5R0.1 CCNC(=O)C 11a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 463 B5R0.1 CCNC(=O)C 240690a_100015525214_100015343762 [2,0,0,0,0,0|2,0,0]=4 464 B5R0.1 CCNC(=O)C 527a_100015525214_100103153847 [2,0,0,0,0,0|2,0,0]=4 465 B5R0.1 CN(C)CC=O 2230a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 466 B5R0.1 CN(C)CC=O 269982a_100102631434_200015260668 [2,0,0,0,0,0|1,0,1]=4 467 B5R0.1 CNCC(=O)O 269956a_100016091260_200000210301 [2,0,0,0,0,0|1,0,1]=4 468 B5R0.1 [13CH3]NCC(=O)O 269956a_100016091260_200025704644 [2,0,0,0,0,0|1,0,1]=4 469 B5R0.3 C#CC(=O)CC 1458a_100000211873_100000210202 [2,0,0,0,0,0|1,0,1]=4 470 B5R0.3 C=CC(=O)CC 1458a_100000185746_100000210202 [2,0,0,0,0,0|1,0,0]=3 471 B5R0.3 C=CC(=O)CF 1458a_100000185746_100015361967 [2,0,0,0,0,0|2,0,0]=4 472 B5R0.3 C=CC(=O)NC 1626a_100102657272_100000185746 [2,0,0,0,0,0|2,0,0]=4 473 B5R0.3 C=CC(=O)NC 240690a_100102657272_200121576911 [2,0,0,0,0,0|2,0,0]=4 474 B5R0.3 CCC(=O)CC 1458a_100000210414_100000210202 [2,0,0,0,0,0|1,0,1]=4 475 B5R0.3 CCC(=O)CF 1458a_100000210414_100015361967 [2,0,0,0,0,0|1,0,1]=4 476 B5R0.3 CCC(=O)CO 1458a_100000210174_100000210202 [2,0,0,0,0,0|0,0,1]=3 477 B5R0.3 CCC(=O)NC 11a_106832991635_100000210414 [2,0,0,0,0,0|2,0,0]=4 478 B5R0.3 CCC(=O)NC 1626a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 479 B5R0.3 CCC(=O)NC 240690a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 480 B5R0.3 CCC(=O)NC 527a_100102657272_100000210414 [2,0,0,0,0,0|2,0,0]=4 481 B5R0.3 CNC(=O)CO 240690a_100102657272_100000210174 [2,0,0,0,0,0|1,0,1]=4 482 B5R0.3 CNC(=O)CO 527a_100102657272_100000210174 [2,0,0,0,0,0|1,0,1]=4 483 B5R0.3 O=C(CO)CF 1458a_100000210174_100015361967 [2,0,0,0,0,0|1,0,1]=4 484 B5R0.5 C=C(C)C(=O)C 1458a_100000185857_200000210301 [2,0,0,0,0,0|2,0,0]=4 485 B5R0.5 C=C(C)C(=O)[13CH3] 1458a_100000185857_200025704644 [2,0,0,0,0,0|2,0,0]=4 486 B5R0.5 CC(=O)C(C)C 1458a_100000070787_100000210206 [2,0,0,0,0,0|0,0,1]=3 487 B5R0.5 CC(=O)C(C)C 1458a_100000210198_200000210301 [2,0,0,0,0,0|0,0,1]=3 488 B5R0.5 CC(=O)C(C)F 1458a_100000062450_200000210301 [2,0,0,0,0,0|1,0,1]=4 489 B5R0.5 CC(=O)C(O)O 1458a_100000233687_200000210301 [2,0,0,0,0,0|0,0,2]=4 490 B5R0.5 CC(=O)N(C)C 11a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 491 B5R0.5 CC(=O)N(C)C 1626a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 492 B5R0.5 CC(=O)N(C)C 240690a_100102631434_100015343762 [2,0,0,0,0,0|1,0,1]=4 493 B5R0.5 CC(=O)N(C)C 527a_100102631434_100103153847 [2,0,0,0,0,0|1,0,1]=4 494 B5R0.5 CC(=O)[C@@H](C)O 1458a_100000717761_200000210301 [2,0,0,0,0,0|1,0,1]=4 495 B5R0.5 CC(=O)[C@H](C)O 1458a_217856618621_200000210301 [2,0,0,0,0,0|1,0,1]=4 496 B5R0.5 CC(C)C(=O)[13CH3] 1458a_100000210198_200025704644 [2,0,0,0,0,0|0,0,1]=3 497 B5R0.5 CC(F)C(=O)[13CH3] 1458a_100000062450_200025704644 [2,0,0,0,0,0|1,0,1]=4 498 B5R0.5 C[C@@H](O)C(=O)[13CH3] 1458a_100000717761_200025704644 [2,0,0,0,0,0|1,0,1]=4 499 B5R0.5 C[C@H](O)C(=O)[13CH3] 1458a_217856618621_200025704644 [2,0,0,0,0,0|1,0,1]=4 500 B5R0.5 [13CH3]C(=O)C(O)O 1458a_100000233687_200025704644 [2,0,0,0,0,0|0,0,2]=4 501 B7R0.2 C#CC(=O)CC(C)C 1458a_100000211873_100000210624 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.2 C=CC(=O)CC(C)C 1458a_100000185746_100000210624 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.2 C=CC(=O)NC(C)C 1626a_100138425928_100000185746 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.2 C=CC(=O)NC(C)C 240690a_100138425928_200121576911 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.2 CC(=CC(=O)CF)C 1458a_100000211388_100015361967 [1,1,0,0,0,0|1,0,1]=4 506 B7R0.2 CC(=CC(C)O[13CH3])C 34a_100000717055_200025704644 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.2 CC(=O)C[C@@H](C)CO 1458a_100000070787_100000059175 [1,1,0,0,0,0|1,0,1]=4 508 B7R0.2 CC(=O)N[C@H](C)CF 11a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.2 CC(=O)N[C@H](C)CF 1626a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 510 B7R0.2 CC(=O)N[C@H](C)CF 240690a_100102880703_100015343762 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.2 CC(=O)N[C@H](C)CF 527a_100102880703_100103153847 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.2 CC(=O)N[C@H](C)CO 240690a_100000737577_100015343762 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.2 CC(=O)N[C@H](C)CO 527a_100000737577_100103153847 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.2 CC(C)CC(=O)CF 1458a_100000210554_100015361967 [1,1,0,0,0,0|1,0,1]=4 517 B7R0.2 CC(C)CC(=O)CO 1458a_100000210174_100000210624 [1,1,0,0,0,0|0,0,1]=3 518 B7R0.2 CC(C)NC(=O)CO 240690a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 519 B7R0.2 CC(C)NC(=O)CO 527a_100138425928_100000210174 [1,1,0,0,0,0|1,0,0]=3 520 B7R0.2 CC(O)CC(=O)CO 1458a_100000210174_100011218427 [1,1,0,0,0,0|1,0,1]=4 521 B7R0.2 CCC(=CC(=O)C)C 1458a_100020758463_200000210301 [1,1,0,0,0,0|1,0,1]=4 522 B7R0.2 CCC(=CC(=O)[13CH3])C 1458a_100020758463_200025704644 [1,1,0,0,0,0|1,0,1]=4 523 B7R0.2 CCC(=O)C=C(C)C 1458a_100000211388_100000210202 [1,1,0,0,0,0|1,0,1]=4 524 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [1,1,0,0,0,0|1,0,1]=4 525 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [1,1,0,0,0,0|1,0,1]=4 526 B7R0.2 CCC(=O)NC(C)C 11a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 527 B7R0.2 CCC(=O)NC(C)C 1626a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 528 B7R0.2 CCC(=O)NC(C)C 240690a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.2 CCC(=O)NC(C)C 527a_100138425928_100000210414 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [1,1,0,0,0,0|1,0,1]=4 531 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [1,1,0,0,0,0|1,0,1]=4 532 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 534 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [1,1,0,0,0,0|2,0,0]=4 536 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [1,1,0,0,0,0|2,0,0]=4 537 B7R0.2 CCN(C)CC(=O)O 269956a_100000746405_200000210301 [1,1,0,0,0,0|1,0,1]=4 538 B7R0.2 CCN(C)CC(=O)O 269956a_100000746989_100000210202 [1,1,0,0,0,0|1,0,1]=4 539 B7R0.2 CCN([13CH3])CC(=O)O 269956a_100000746405_200025704644 [1,1,0,0,0,0|1,0,1]=4 540 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.2 CN(CF)CC(=O)O 269956a_100000746989_100015361967 [1,1,0,0,0,0|1,0,1]=4 542 B7R0.2 CNC(=O)C=C(C)C 11a_106832991635_100000211388 [1,1,0,0,0,0|1,0,1]=4 543 B7R0.2 CNC(=O)C=C(C)C 1626a_100102657272_100000211388 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.2 CNC(=O)C=C(C)C 240690a_100102657272_100000211388 [1,1,0,0,0,0|1,0,1]=4 545 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [1,1,0,0,0,0|1,0,1]=4 549 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [1,1,0,0,0,0|2,0,0]=4 550 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [1,1,0,0,0,0|2,0,0]=4 551 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 552 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [1,1,0,0,0,0|2,0,0]=4 554 B7R0.2 COC(=O)CN(C)C 2230a_100000198492_200000210301 [1,1,0,0,0,0|1,0,1]=4 555 B7R0.2 COC(=O)CN(C)C 2230a_100102631434_100000747449 [1,1,0,0,0,0|1,0,1]=4 556 B7R0.2 COC(=O)CN(C)C 269982a_100102631434_100000747449 [1,1,0,0,0,0|1,0,1]=4 557 B7R0.2 COC(=O)CN(C)[13CH3] 2230a_100000198492_200025704644 [1,1,0,0,0,0|1,0,1]=4 558 B7R0.2 COC(C)C=C(C)C 34a_100000717055_200000210301 [1,1,0,0,0,0|2,0,0]=4 559 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [1,1,0,0,0,0|2,0,0]=4 560 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [1,1,0,0,0,0|2,0,0]=4 561 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [1,1,0,0,0,0|1,0,1]=4 562 B7R0.9 CC(=O)CC(C)(C)O 1458a_100000693243_200000210301 [1,1,0,0,0,0|1,0,1]=4 563 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 564 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 565 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [1,1,0,0,0,0|2,0,0]=4 566 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [1,1,0,0,0,0|2,0,0]=4 567 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [1,1,0,0,0,0|1,0,1]=4 568 B7R0.9 CC(C)(O)CC(=O)[13CH3] 1458a_100000693243_200025704644 [1,1,0,0,0,0|1,0,1]=4 569 B7R0.5 C#CCC(=O)C(C)C 1458a_100000210198_100000184674 [1,1,0,0,0,0|1,0,1]=4 570 B7R0.5 C#CCC(=O)C(C)C 1458a_100011220946_100000210206 [1,1,0,0,0,0|1,0,1]=4 571 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,1,0,0,0,0|2,0,0]=4 573 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,1,0,0,0,0|2,0,0]=4 574 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,1,0,0,0,0|2,0,0]=4 576 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,1,0,0,0,0|2,0,0]=4 577 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,1,0,0,0,0|2,0,0]=4 578 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210193_100000210206 [1,1,0,0,0,0|1,0,0]=3 579 B7R0.5 C=CCC(=O)C(C)C 1458a_100000210198_100000210623 [1,1,0,0,0,0|1,0,0]=3 580 B7R0.5 C=CCC(=O)C(C)F 1458a_100000062450_100000210623 [1,1,0,0,0,0|2,0,0]=4 581 B7R0.5 C=CCC(=O)N(C)C 11a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 582 B7R0.5 C=CCC(=O)N(C)C 1626a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 583 B7R0.5 C=CCC(=O)N(C)C 240690a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 584 B7R0.5 C=CCC(=O)N(C)C 527a_100102631434_100000210193 [1,1,0,0,0,0|2,0,0]=4 585 B7R0.5 C=CCC(=O)[C@@H](C)O 1458a_100000717761_100000210623 [1,1,0,0,0,0|2,0,0]=4 586 B7R0.5 C=CCC(=O)[C@H](C)O 1458a_217856618621_100000210623 [1,1,0,0,0,0|2,0,0]=4 587 B7R0.5 CC#CC(=O)C(C)C 1458a_100000763181_100000210206 [1,1,0,0,0,0|1,0,1]=4 588 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,1,0,0,0,0|1,0,0]=3 589 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,1,0,0,0,0|1,0,0]=3 590 B7R0.5 CC(C)C(=O)C=CBr 1458a_100016273825_100000210206 [1,1,0,0,0,0|1,0,0]=3 591 B7R0.5 CC(C)C(=O)C=CCl 1458a_200016279998_100000210206 [1,1,0,0,0,0|1,0,0]=3 592 B7R0.5 CC(C)C(=O)C=CI 1458a_100016256311_100000210206 [1,1,0,0,0,0|1,0,0]=3 593 B7R0.5 CC(C)C(=O)CC#N 1458a_100000210198_100011214920 [1,1,0,0,0,0|1,0,1]=4 594 B7R0.5 CC(C)C(=O)CC#N 1458a_100051588842_100000210206 [1,1,0,0,0,0|1,0,1]=4 595 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,1,0,0,0,0|1,0,1]=4 596 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,1,0,0,0,0|0,0,1]=3 597 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,1,0,0,0,0|0,0,1]=3 598 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,1,0,0,0,0|0,1,1]=4 599 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,1,0,0,0,0|0,1,1]=4 600 B7R0.5 CC(C)N(C)CC=O 269982a_200000211004_200015260668 [1,1,0,0,0,0|2,0,0]=4 601 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,1,0,0,0,0|1,0,1]=4 602 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,1,0,0,0,0|1,0,1]=4 603 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,1,0,0,0,0|2,0,0]=4 604 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,1,0,0,0,0|2,0,0]=4 605 B7R0.5 CC=CC(=O)C(C)C 1458a_100000210699_100000210206 [1,1,0,0,0,0|1,0,0]=3 606 B7R0.5 CC=CC(=O)N(C)C 11a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 607 B7R0.5 CC=CC(=O)N(C)C 1626a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 608 B7R0.5 CC=CC(=O)N(C)C 240690a_100102631434_100000210699 [1,1,0,0,0,0|2,0,0]=4 609 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,1,0,0,0,0|0,0,2]=4 612 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,1,0,0,0,0|1,0,1]=4 613 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,1,0,0,0,0|1,0,1]=4 614 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,1,0,0,0,0|1,0,0]=3 615 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,1,0,0,0,0|1,0,0]=3 616 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,1,0,0,0,0|1,0,0]=3 617 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 618 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,1,0,0,0,0|1,0,1]=4 620 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,1,0,0,0,0|0,0,2]=4 621 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,1,0,0,0,0|1,0,1]=4 622 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,1,0,0,0,0|1,0,1]=4 623 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.5 CN(C)C(=O)C=CBr 1626a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.5 CN(C)C(=O)C=CBr 240690a_100102631434_100016273825 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.5 CN(C)C(=O)C=CCl 11a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.5 CN(C)C(=O)C=CCl 1626a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 628 B7R0.5 CN(C)C(=O)C=CCl 240690a_100102631434_200016279998 [1,1,0,0,0,0|2,0,0]=4 629 B7R0.5 CN(C)C(=O)C=CI 1626a_100102631434_100016256311 [1,1,0,0,0,0|2,0,0]=4 630 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,1,0,0,0,0|1,0,1]=4 631 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,1,0,0,0,0|1,0,0]=3 632 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 633 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,1,0,0,0,0|1,0,1]=4 634 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,1,0,0,0,0|1,0,1]=4 635 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,1,0,0,0,0|2,0,0]=4 638 B7R0.5 CNNC(=O)C(C)C 22a_100016993582_100000210198 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,1,0,0,0,0|1,0,0]=3 640 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,1,0,0,0,0|0,0,1]=3 641 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,1,0,0,0,0|0,0,1]=3 642 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 644 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,1,0,0,0,0|1,0,0]=3 648 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,1,0,0,0,0|1,0,0]=3 649 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,1,0,0,0,0|0,1,1]=4 650 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,1,0,0,0,0|0,1,1]=4 651 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,1,0,0,0,0|0,1,1]=4 652 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,1,0,0,0,0|1,0,1]=4 653 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,1,0,0,0,0|1,0,1]=4 654 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,1,0,0,0,0|1,0,1]=4 655 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,1,0,0,0,0|1,0,1]=4 656 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,1,0,0,0,0|0,0,2]=4 657 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,1,0,0,0,0|0,0,2]=4 658 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,1,0,0,0,0|1,0,1]=4 659 B7R0.10 C#CC(=O)C(C)CC 1458a_100000211873_100000758301 [1,1,0,0,0,0|1,0,1]=4 660 B7R0.10 C#CC(C)C(=O)C=C 1458a_100000185746_200000035995 [1,1,0,0,0,0|1,0,1]=4 661 B7R0.10 C#CC(C)C(=O)CO 1458a_100000210174_200000035995 [1,1,0,0,0,0|0,0,2]=4 662 B7R0.10 C/C=C(\C)/C(=O)CC 1458a_100020587367_100000210202 [1,1,0,0,0,0|2,0,0]=4 663 B7R0.10 C/C=C(\C)/C(C)NC 269862a_106832991636_100020675665 [1,1,0,0,0,0|2,0,0]=4 664 B7R0.10 C=CC(=O)C(C)C#N 1458a_100000185746_100000703298 [1,1,0,0,0,0|1,0,1]=4 665 B7R0.10 C=CC(=O)C(C)CC 1458a_100000185746_100000758301 [1,1,0,0,0,0|1,0,0]=3 666 B7R0.10 C=CC(=O)N(C)CC 1626a_100000225621_100000185746 [1,1,0,0,0,0|2,0,0]=4 667 B7R0.10 C=CC(=O)N(C)CC 240690a_100000225621_200121576911 [1,1,0,0,0,0|2,0,0]=4 668 B7R0.10 CC(C#N)C(=O)CO 1458a_100000210174_100000703298 [1,1,0,0,0,0|0,0,2]=4 669 B7R0.10 CC(O[13CH3])C(=O)NN 34a_100000725659_200025704644 [1,1,0,0,0,0|2,0,0]=4 670 B7R0.10 CCC(=O)C(=O)NC 1458a_100011218921_100000210202 [1,1,0,0,0,0|1,0,0]=3 671 B7R0.10 CCC(=O)C(C)CC 1458a_100000210414_100000758301 [1,1,0,0,0,0|1,0,1]=4 672 B7R0.10 CCC(=O)C(C)CC 1458a_100011192722_100000210202 [1,1,0,0,0,0|1,0,1]=4 673 B7R0.10 CCC(=O)C(C)NC 2230a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 674 B7R0.10 CCC(=O)C(C)NC 7a_106832991635_100000742827 [1,1,0,0,0,0|1,0,1]=4 675 B7R0.10 CCC(=O)C(C)OC 1458a_100000743197_100000210202 [1,1,0,0,0,0|1,0,1]=4 676 B7R0.10 CCC(=O)C(C)SC 1458a_100000149566_100000210202 [1,1,0,0,0,0|1,0,1]=4 677 B7R0.10 CCC(=O)C(C)SC 62a_100000742827_200000210301 [1,1,0,0,0,0|1,0,1]=4 678 B7R0.10 CCC(=O)C(C)SC 62a_200000210301_100000742827 [1,1,0,0,0,0|1,0,1]=4 679 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_100000742827_200025704644 [1,1,0,0,0,0|1,0,1]=4 680 B7R0.10 CCC(=O)C(C)S[13CH3] 62a_200025704644_100000742827 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.10 CCC(=O)C(O)CC 1458a_100011196387_100000210202 [1,1,0,0,0,0|1,0,1]=4 682 B7R0.10 CCC(=O)C(O)CO 1458a_100011215603_100000210202 [1,1,0,0,0,0|0,0,2]=4 683 B7R0.10 CCC(C)C(=O)CF 1458a_100011192722_100015361967 [1,1,0,0,0,0|1,0,1]=4 684 B7R0.10 CCC(C)C(=O)CO 1458a_100000210174_100000758301 [1,1,0,0,0,0|0,0,1]=3 685 B7R0.10 CCC(C)C(=O)NC 11a_106832991635_100011192722 [1,1,0,0,0,0|2,0,0]=4 686 B7R0.10 CCC(C)C(=O)NC 1626a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 687 B7R0.10 CCC(C)C(=O)NC 240690a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 688 B7R0.10 CCC(C)C(=O)NC 527a_100102657272_100011192722 [1,1,0,0,0,0|2,0,0]=4 689 B7R0.10 CCN(C)C(=O)CO 240690a_100000225621_100000210174 [1,1,0,0,0,0|1,0,1]=4 690 B7R0.10 CCN(C)C(=O)CO 527a_100000225621_100000210174 [1,1,0,0,0,0|1,0,1]=4 691 B7R0.10 CNC(=O)C(=O)CF 1458a_100011218921_100015361967 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.10 CNC(=O)C(=O)NC 1626a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 693 B7R0.10 CNC(=O)C(=O)NC 240690a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 694 B7R0.10 CNC(=O)C(=O)NC 527a_100102657272_100011218921 [1,1,0,0,0,0|2,0,0]=4 695 B7R0.10 CNC(=O)C(=O)OC 11a_106832991635_100000024059 [1,1,0,0,0,0|1,0,0]=3 696 B7R0.10 CNC(=O)C(=O)OC 1626a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 697 B7R0.10 CNC(=O)C(=O)OC 240690a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.10 CNC(=O)C(=O)OC 527a_100102657272_100000024059 [1,1,0,0,0,0|1,0,0]=3 699 B7R0.10 CNC(=O)C(C)NC 2230a_106832991635_100000731044 [1,1,0,0,0,0|2,0,0]=4 700 B7R0.10 CNC(=O)C(C)NC 34a_100102657272_100000731044 [1,1,0,0,0,0|2,0,0]=4 701 B7R0.10 CNC(=O)C(C)NC 7a_106832991635_100000209862 [1,1,0,0,0,0|2,0,0]=4 702 B7R0.10 CNC(=O)C(C)OC 11a_106832991635_100000743197 [1,1,0,0,0,0|2,0,0]=4 703 B7R0.10 CNC(=O)C(C)OC 1626a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 704 B7R0.10 CNC(=O)C(C)OC 240690a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 705 B7R0.10 CNC(=O)C(C)OC 34a_100138415774_100000731044 [1,1,0,0,0,0|2,0,0]=4 706 B7R0.10 CNC(=O)C(C)OC 527a_100102657272_100000743197 [1,1,0,0,0,0|2,0,0]=4 707 B7R0.10 CNC(=O)C(C)SC 11a_106832991635_100000149566 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.10 CNC(=O)C(C)SC 1626a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.10 CNC(=O)C(C)SC 240690a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.10 CNC(=O)C(C)SC 527a_100102657272_100000149566 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.10 CNC(=O)C(C)SC 62a_100000209862_200000210301 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.10 CNC(=O)C(C)SC 62a_200000210301_100000731044 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_100000209862_200025704644 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.10 CNC(=O)C(C)S[13CH3] 62a_200025704644_100000731044 [1,1,0,0,0,0|2,0,0]=4 715 B7R0.10 CNC(=O)[C@@H](C)NC 2230a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.10 CNC(=O)[C@@H](C)NC 34a_100000684985_200000210301 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 2230a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 718 B7R0.10 CNC(=O)[C@@H](C)N[13CH3] 34a_100000684985_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.10 CNC(C)C(=O)OC 2230a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.10 CNC(C)C(=O)OC 34a_100102657272_100000211248 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.10 CNC(C)C(=O)OC 7a_106832991635_100000211248 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.10 COC(=O)C(C)OC 34a_100011215400_200000210301 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.10 COC(=O)C(C)OC 34a_100138415774_100000211248 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.10 COC(=O)C(C)O[13CH3] 34a_100011215400_200025704644 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.10 COC(=O)C(C)SC 62a_100000211248_200000210301 [1,1,0,0,0,0|2,0,0]=4 726 B7R0.10 COC(=O)C(C)SC 62a_200000210301_100000211248 [1,1,0,0,0,0|2,0,0]=4 727 B7R0.10 COC(=O)C(C)S[13CH3] 62a_100000211248_200025704644 [1,1,0,0,0,0|2,0,0]=4 728 B7R0.10 COC(=O)C(C)S[13CH3] 62a_200025704644_100000211248 [1,1,0,0,0,0|2,0,0]=4 729 B7R0.10 COC(C)C(=O)CF 1458a_100000743197_100015361967 [1,1,0,0,0,0|1,0,1]=4 730 B7R0.10 COC(C)C(=O)NN 34a_100000725659_200000210301 [1,1,0,0,0,0|2,0,0]=4 731 B7R0.10 CSC(C)C(=O)CF 1458a_100000149566_100015361967 [1,1,0,0,0,0|1,0,1]=4 732 B7R0.14 CC(C)(C)C(=O)CF 1458a_106744555173_100015361967 [1,1,0,0,0,0|1,0,1]=4 733 B7R0.14 CC(C)(F)C(=O)CF 1458a_100000765255_100015361967 [1,1,0,0,0,0|1,0,1]=4 734 B7R0.14 CC(C)(O)C(=O)CF 1458a_100000242741_100015361967 [1,1,0,0,0,0|1,0,1]=4 735 B7R0.14 CCC(=O)C(C)(C)C 1458a_106744555173_100000210202 [1,1,0,0,0,0|1,0,1]=4 736 B7R0.14 CCC(=O)C(C)(C)F 1458a_100000765255_100000210202 [1,1,0,0,0,0|1,0,1]=4 737 B7R0.14 CCC(=O)C(C)(C)O 1458a_100000242741_100000210202 [1,1,0,0,0,0|1,0,1]=4 738 B7R0.14 CNC(=O)C(C)(C)C 11a_106832991635_106744555173 [1,1,0,0,0,0|2,0,0]=4 739 B7R0.14 CNC(=O)C(C)(C)C 1626a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 740 B7R0.14 CNC(=O)C(C)(C)C 240690a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 741 B7R0.14 CNC(=O)C(C)(C)C 527a_100102657272_106744555173 [1,1,0,0,0,0|2,0,0]=4 742 B7R0.14 CNC(=O)C(C)(C)F 11a_106832991635_100000765255 [1,1,0,0,0,0|2,0,0]=4 743 B7R0.14 CNC(=O)C(C)(C)F 1626a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 744 B7R0.14 CNC(=O)C(C)(C)F 240690a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 745 B7R0.14 CNC(=O)C(C)(C)F 527a_100102657272_100000765255 [1,1,0,0,0,0|2,0,0]=4 746 B7R0.14 CNC(=O)C(C)(C)O 240690a_100102657272_100000242741 [1,1,0,0,0,0|2,0,0]=4 747 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,1,0,0,0,0|1,0,1]=4 748 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,1,0,0,0,0|1,0,1]=4 749 B7R0.15 CN(C)C(C=O)C=O 2230a_100102631434_100000736813 [1,1,0,0,0,0|1,0,1]=4 750 B9R0.10 C=C(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748629 [0,1,0,0,0,1|2,0,0]=4 751 B9R0.10 C=C(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748629 [0,1,0,0,0,1|2,0,0]=4 752 B9R0.10 C=C(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748629 [0,1,0,0,0,1|2,0,0]=4 753 B9R0.10 C=C(F)CC(=O)C(C)(C)C 1458a_106744555173_100009893438 [0,1,0,0,0,1|2,0,0]=4 754 B9R0.10 C=C(F)CC(=O)C(C)(C)F 1458a_100000765255_100009893438 [0,1,0,0,0,1|2,0,0]=4 755 B9R0.10 C=C(F)CC(=O)C(C)(C)O 1458a_100000242741_100009893438 [0,1,0,0,0,1|2,0,0]=4 756 B9R0.10 CC(=CC(=O)[13CH3])C(C)(C)C 1458a_100020591210_200025704644 [0,1,0,0,0,1|2,0,0]=4 757 B9R0.10 CC(=O)C=C(C)C(C)(C)C 1458a_100020591210_200000210301 [0,1,0,0,0,1|2,0,0]=4 758 B9R0.10 CC(=O)CC(=O)C(C)(C)C 1458a_100000070787_100000210923 [0,1,0,0,0,1|1,0,0]=3 759 B9R0.10 CC(C)(C)C(=O)CC(=O)N 1458a_106744555173_100000187820 [0,1,0,0,0,1|1,0,0]=3 760 B9R0.10 CC(C)(C)C(=O)CC(=O)[O-] 1458a_106744555173_100020667443 [0,1,0,0,0,1|0,0,1]=3 761 B9R0.10 CC(C)(C)C(=O)C[N+](=O)[O-] 1458a_106744555173_100000761209 [0,1,0,0,0,1|1,0,1]=4 762 B9R0.10 CC(C)(C)N([13CH3])CC(=O)O 269956a_100000745166_200025704644 [0,1,0,0,0,1|2,0,0]=4 763 B9R0.10 CC(C)(F)C(=O)CC(=O)N 1458a_100000765255_100000187820 [0,1,0,0,0,1|1,0,0]=3 764 B9R0.10 CC(C)(F)C(=O)CC(=O)[O-] 1458a_100000765255_100020667443 [0,1,0,0,0,1|0,0,1]=3 765 B9R0.10 CC(C)(F)C(=O)C[N+](=O)[O-] 1458a_100000765255_100000761209 [0,1,0,0,0,1|1,0,1]=4 766 B9R0.10 CC(C)(O)C(=O)CC(=O)N 1458a_100000242741_100000187820 [0,1,0,0,0,1|1,0,0]=3 767 B9R0.10 CC(C)(O)C(=O)CC(=O)[O-] 1458a_100000242741_100020667443 [0,1,0,0,0,1|0,0,1]=3 768 B9R0.10 CC(C)(O)C(=O)C[N+](=O)[O-] 1458a_100000242741_100000761209 [0,1,0,0,0,1|1,0,1]=4 769 B9R0.10 CC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000210624 [0,1,0,0,0,1|1,0,1]=4 770 B9R0.10 CC(C)NC(=O)C(C)(C)O 240690a_100138425928_100000242741 [0,1,0,0,0,1|1,0,1]=4 771 B9R0.10 CC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218427 [0,1,0,0,0,1|1,0,1]=4 772 B9R0.10 CC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218427 [0,1,0,0,0,1|1,0,1]=4 773 B9R0.10 CC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218427 [0,1,0,0,0,1|1,0,1]=4 774 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000745166_200000210301 [0,1,0,0,0,1|2,0,0]=4 775 B9R0.10 CN(CC(=O)O)C(C)(C)C 269956a_100000746989_100000211941 [0,1,0,0,0,1|2,0,0]=4 776 B9R0.11 CC(=O)NS(=O)(=O)C(C)C 2740a_100000746418_100015343762 [0,1,0,0,0,1|2,0,0]=4 777 B9R0.23 C#CC(C)C(=O)CC(=O)N 1458a_100134613110_200000035995 [0,1,0,0,0,1|1,0,1]=4 778 B9R0.23 C/C=C(\C)/C(=O)CC(=O)N 1458a_100020587367_100000187820 [0,1,0,0,0,1|1,0,1]=4 779 B9R0.23 C/C=C(\C)/C(=O)CC(=O)[O-] 1458a_100020587367_100020667443 [0,1,0,0,0,1|0,0,2]=4 780 B9R0.23 C/C=C(\C)/C(=O)CC(C)C 1458a_100020587367_100000210624 [0,1,0,0,0,1|2,0,0]=4 781 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 11a_100138425928_100020587367 [0,1,0,0,0,1|2,0,0]=4 782 B9R0.23 C/C=C(\C)/C(=O)NC(C)C 1626a_100138425928_100020587367 [0,1,0,0,0,1|2,0,0]=4 783 B9R0.23 C=C(C)CC(=O)C(C)CC 1458a_100011192722_100000748629 [0,1,0,0,0,1|2,0,0]=4 784 B9R0.23 C=C(C)CC(=O)C(C)OC 1458a_100000743197_100000748629 [0,1,0,0,0,1|2,0,0]=4 785 B9R0.23 C=C(C)CC(=O)C(C)SC 1458a_100000149566_100000748629 [0,1,0,0,0,1|2,0,0]=4 786 B9R0.23 C=C(F)CC(=O)C(C)CC 1458a_100011192722_100009893438 [0,1,0,0,0,1|2,0,0]=4 787 B9R0.23 C=C(F)CC(=O)C(C)OC 1458a_100000743197_100009893438 [0,1,0,0,0,1|2,0,0]=4 788 B9R0.23 C=C(F)CC(=O)C(C)SC 1458a_100000149566_100009893438 [0,1,0,0,0,1|2,0,0]=4 789 B9R0.23 C=CC(C)C(=O)CC(=O)N 1458a_100011216780_100000187820 [0,1,0,0,0,1|1,0,1]=4 790 B9R0.23 C=CC(C)C(=O)CC(=O)[O-] 1458a_100011216780_100020667443 [0,1,0,0,0,1|0,0,2]=4 791 B9R0.23 CC(C#N)C(=O)CC(=O)N 1458a_100000753662_100000187820 [0,1,0,0,0,1|1,0,1]=4 792 B9R0.23 CC(C#N)C(=O)CC(=O)N 1458a_100134613110_100000703298 [0,1,0,0,0,1|1,0,1]=4 793 B9R0.23 CC(C#N)C(=O)CC(=O)[O-] 1458a_100000753662_100020667443 [0,1,0,0,0,1|0,0,2]=4 794 B9R0.23 CC(C)CC(=O)C(O)CO 1458a_100011215603_100000210624 [0,1,0,0,0,1|0,0,2]=4 795 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [0,1,0,0,0,1|1,0,1]=4 796 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [0,1,0,0,0,1|2,0,0]=4 797 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [0,1,0,0,0,1|2,0,0]=4 798 B9R0.23 CC(C)NC(=O)C(=O)CF 1458a_100011220036_100015361967 [0,1,0,0,0,1|1,0,0]=3 799 B9R0.23 CC(C)NC(=O)C(O)CO 240690a_100138425928_100011215603 [0,1,0,0,0,1|0,0,2]=4 800 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 34a_100015307928_200025704644 [0,1,0,0,0,1|1,0,1]=4 801 B9R0.23 CC(C)OC(=O)[C@@H](C)O[13CH3] 7a_100015307928_200025704644 [0,1,0,0,0,1|1,0,1]=4 802 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_100000183865_200025704644 [0,1,0,0,0,1|1,0,0]=3 803 B9R0.23 CC(S[13CH3])C(=O)NC(=O)N 62a_200025704644_100000183865 [0,1,0,0,0,1|1,0,0]=3 804 B9R0.23 CCC(=O)C(=O)NC(C)C 1458a_100011220036_100000210202 [0,1,0,0,0,1|1,0,0]=3 805 B9R0.23 CCC(C)C(=O)C=C(C)C 1458a_100000211388_100000758301 [0,1,0,0,0,1|2,0,0]=4 806 B9R0.23 CCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000758301 [0,1,0,0,0,1|2,0,0]=4 807 B9R0.23 CCC(C)C(=O)C=C(C)I 1458a_100025716642_100000758301 [0,1,0,0,0,1|2,0,0]=4 808 B9R0.23 CCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000758301 [0,1,0,0,0,1|2,0,0]=4 809 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100011192722_100000187820 [0,1,0,0,0,1|1,0,0]=3 810 B9R0.23 CCC(C)C(=O)CC(=O)N 1458a_100134613110_100000758301 [0,1,0,0,0,1|1,0,0]=3 811 B9R0.23 CCC(C)C(=O)CC(=O)[O-] 1458a_100011192722_100020667443 [0,1,0,0,0,1|0,0,1]=3 812 B9R0.23 CCC(C)C(=O)CC(C)O 1458a_100011192722_100011218427 [0,1,0,0,0,1|1,0,1]=4 813 B9R0.23 CCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000758301 [0,1,0,0,0,1|1,0,1]=4 814 B9R0.23 CCC(C)C(=O)C[N+](=O)[O-] 1458a_100011192722_100000761209 [0,1,0,0,0,1|1,0,1]=4 815 B9R0.23 CCC(C)N(C)CC(=O)O 269956a_100000746989_100000758301 [0,1,0,0,0,1|2,0,0]=4 816 B9R0.23 CCC(O)C(=O)CC(=O)N 1458a_100011196387_100000187820 [0,1,0,0,0,1|2,0,0]=4 817 B9R0.23 CCC(O)C(=O)CC(=O)[O-] 1458a_100011196387_100020667443 [0,1,0,0,0,1|1,0,1]=4 818 B9R0.23 CCC(O)C(=O)CC(C)C 1458a_100011196387_100000210624 [0,1,0,0,0,1|1,0,1]=4 819 B9R0.23 CCC(O)C(=O)NC(C)C 240690a_100138425928_100011196387 [0,1,0,0,0,1|1,0,1]=4 820 B9R0.23 CCN(C)C(=O)CC(=O)C 1458a_100000070787_100011894763 [0,1,0,0,0,1|2,0,0]=4 821 B9R0.23 CCN(C)C(=O)CC(=O)N 240690a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 822 B9R0.23 CCN(C)C(=O)CC(=O)N 527a_100000225621_100134613110 [0,1,0,0,0,1|2,0,0]=4 823 B9R0.23 CNC(=O)C(=O)CC(C)C 1458a_100011218921_100000210624 [0,1,0,0,0,1|1,0,0]=3 824 B9R0.23 CNC(=O)C(=O)CC(C)O 1458a_100011218921_100011218427 [0,1,0,0,0,1|2,0,0]=4 825 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100102657272_100011220036 [0,1,0,0,0,1|1,0,0]=3 826 B9R0.23 CNC(=O)C(=O)NC(C)C 1626a_100138425928_100011218921 [0,1,0,0,0,1|1,0,0]=3 827 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100102657272_100011220036 [0,1,0,0,0,1|1,0,0]=3 828 B9R0.23 CNC(=O)C(=O)NC(C)C 240690a_100138425928_100011218921 [0,1,0,0,0,1|1,0,0]=3 829 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100102657272_100011220036 [0,1,0,0,0,1|1,0,0]=3 830 B9R0.23 CNC(=O)C(=O)NC(C)C 527a_100138425928_100011218921 [0,1,0,0,0,1|1,0,0]=3 831 B9R0.23 CNC(C)C(=O)NC(=O)N 2230a_106832991635_100000183865 [0,1,0,0,0,1|1,0,0]=3 832 B9R0.23 CNC(C)C(=O)NC(=O)N 7a_106832991635_100000183865 [0,1,0,0,0,1|1,0,0]=3 833 B9R0.23 COC(=O)C(=O)NC(C)C 11a_100138425928_100000024059 [0,1,0,0,0,1|0,0,0]=2 834 B9R0.23 COC(=O)C(=O)NC(C)C 1626a_100138425928_100000024059 [0,1,0,0,0,1|0,0,0]=2 835 B9R0.23 COC(=O)C(=O)NC(C)C 240690a_100138425928_100000024059 [0,1,0,0,0,1|0,0,0]=2 836 B9R0.23 COC(=O)C(=O)NC(C)C 527a_100138425928_100000024059 [0,1,0,0,0,1|0,0,0]=2 837 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [0,1,0,0,0,1|1,0,1]=4 838 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [0,1,0,0,0,1|1,0,1]=4 839 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [0,1,0,0,0,1|1,0,1]=4 840 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [0,1,0,0,0,1|1,0,1]=4 841 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [0,1,0,0,0,1|1,0,1]=4 842 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [0,1,0,0,0,1|1,0,1]=4 843 B9R0.23 COC(C)C(=O)CC(=O)N 1458a_100000743197_100000187820 [0,1,0,0,0,1|1,0,0]=3 844 B9R0.23 COC(C)C(=O)CC(=O)[O-] 1458a_100000743197_100020667443 [0,1,0,0,0,1|0,0,1]=3 845 B9R0.23 COC(C)C(=O)CC(C)C 1458a_100000743197_100000210624 [0,1,0,0,0,1|1,0,1]=4 846 B9R0.23 COC(C)C(=O)CC(C)O 1458a_100000743197_100011218427 [0,1,0,0,0,1|1,0,1]=4 847 B9R0.23 COC(C)C(=O)C[N+](=O)[O-] 1458a_100000743197_100000761209 [0,1,0,0,0,1|1,0,1]=4 848 B9R0.23 COC(C)C(=O)NC(C)C 11a_100138425928_100000743197 [0,1,0,0,0,1|1,0,1]=4 849 B9R0.23 COC(C)C(=O)NC(C)C 1626a_100138425928_100000743197 [0,1,0,0,0,1|1,0,1]=4 850 B9R0.23 COC(C)C(=O)NC(C)C 240690a_100138425928_100000743197 [0,1,0,0,0,1|1,0,1]=4 851 B9R0.23 COC(C)C(=O)NC(C)C 34a_100138415774_100000195394 [0,1,0,0,0,1|1,0,1]=4 852 B9R0.23 COC(C)C(=O)NC(C)C 527a_100138425928_100000743197 [0,1,0,0,0,1|1,0,1]=4 853 B9R0.23 COC(C)N(C)CC(=O)O 269956a_100000746989_100009879195 [0,1,0,0,0,1|2,0,0]=4 854 B9R0.23 CON(C)C(=O)CC(=O)C 1458a_100000070787_100000764215 [0,1,0,0,0,1|2,0,0]=4 855 B9R0.23 CO[C@H](C)C(=O)OC(C)C 34a_100015307928_200000210301 [0,1,0,0,0,1|1,0,1]=4 856 B9R0.23 CO[C@H](C)C(=O)OC(C)C 7a_100015307928_200000210301 [0,1,0,0,0,1|1,0,1]=4 857 B9R0.23 CSC(C)C(=O)CC(=O)N 1458a_100000149566_100000187820 [0,1,0,0,0,1|1,0,0]=3 858 B9R0.23 CSC(C)C(=O)CC(=O)[O-] 1458a_100000149566_100020667443 [0,1,0,0,0,1|0,0,1]=3 859 B9R0.23 CSC(C)C(=O)CC(C)O 1458a_100000149566_100011218427 [0,1,0,0,0,1|1,0,1]=4 860 B9R0.23 CSC(C)C(=O)C[N+](=O)[O-] 1458a_100000149566_100000761209 [0,1,0,0,0,1|1,0,1]=4 861 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_100000183865_200000210301 [0,1,0,0,0,1|1,0,0]=3 862 B9R0.23 CSC(C)C(=O)NC(=O)N 62a_200000210301_100000183865 [0,1,0,0,0,1|1,0,0]=3 863 B9R0.23 C[C@H](CO)N(C)CC(=O)O 269956a_100000746989_100016084084 [0,1,0,0,0,1|2,0,0]=4 864 B9R0.23 NC(=O)CC(=O)C(O)CO 1458a_100011215603_100000187820 [0,1,0,0,0,1|2,0,0]=4 865 B9R0.23 O=C([O-])CC(=O)C(O)CO 1458a_100011215603_100020667443 [0,1,0,0,0,1|1,0,1]=4 866 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,1,0,0,0,1|1,0,1]=4 867 B9R0.39 CC(=O)/C(=C/C(C)C)/C#N 1458a_200042966509_200000210301 [0,1,0,0,0,1|2,0,0]=4 868 B9R0.39 CC(C)/C=C(\C#N)/C(=O)[13CH3] 1458a_200042966509_200025704644 [0,1,0,0,0,1|2,0,0]=4 869 B9R0.39 CC(C)C(CC(=O)O)N[13CH3] 269956a_100000695669_200025704644 [0,1,0,0,0,1|1,0,1]=4 870 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,1,0,0,0,1|0,0,2]=4 871 B9R0.39 CCN(CC(=O)O)C(C)C 269956a_100000746405_100000210206 [0,1,0,0,0,1|2,0,0]=4 872 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,1,0,0,0,1|1,0,1]=4 873 B9R0.39 CNC(CC(=O)O)C(C)C 269956a_100000695669_200000210301 [0,1,0,0,0,1|1,0,1]=4 874 B9R0.42 C#CC(=O)CC(=O)C(C)C 1458a_100000211873_100000753385 [0,1,0,0,0,1|1,0,0]=3 875 B9R0.42 C#CC(=O)CC(=O)N(C)C 1458a_100000211873_100000185267 [0,1,0,0,0,1|2,0,0]=4 876 B9R0.42 C#CC(C)NC(=O)C(=O)N 240690a_100000707721_100011215815 [0,1,0,0,0,1|1,0,1]=4 877 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,1,0,0,0,1|2,0,0]=4 878 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,1,0,0,0,1|2,0,0]=4 879 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 11a_100102880703_100009813364 [0,1,0,0,0,1|2,0,0]=4 880 B9R0.42 C=C(Br)C(=O)N[C@H](C)CF 1626a_100102880703_100009813364 [0,1,0,0,0,1|2,0,0]=4 881 B9R0.42 C=C(C#N)CC(=O)C(C)C 1458a_100000210198_100000694840 [0,1,0,0,0,1|2,0,0]=4 882 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,1|0,0,2]=4 883 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,1|2,0,0]=4 884 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,1|2,0,0]=4 885 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,1|2,0,0]=4 886 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,0,0,0,1|2,0,0]=4 887 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,0,0,0,1|2,0,0]=4 888 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,1,0,0,0,1|2,0,0]=4 889 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,1,0,0,0,1|2,0,0]=4 890 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,1,0,0,0,1|2,0,0]=4 891 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,1,0,0,0,1|2,0,0]=4 892 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 11a_100102880703_100000039160 [0,1,0,0,0,1|2,0,0]=4 893 B9R0.42 C=C(Cl)C(=O)N[C@H](C)CF 1626a_100102880703_100000039160 [0,1,0,0,0,1|2,0,0]=4 894 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,1,0,0,0,1|2,0,0]=4 895 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,1,0,0,0,1|2,0,0]=4 896 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 11a_100102880703_100000036797 [0,1,0,0,0,1|2,0,0]=4 897 B9R0.42 C=C(F)C(=O)N[C@H](C)CF 1626a_100102880703_100000036797 [0,1,0,0,0,1|2,0,0]=4 898 B9R0.42 C=CC(=O)CC(=O)C(C)C 1458a_100000185746_100000753385 [0,1,0,0,0,1|1,0,0]=3 899 B9R0.42 C=CC(=O)CC(=O)N(C)C 1458a_100000185746_100000185267 [0,1,0,0,0,1|2,0,0]=4 900 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,1|1,0,1]=4 901 B9R0.42 CC(C)C(=O)CC(=O)CO 1458a_100000210174_100000753385 [0,1,0,0,0,1|0,0,0]=2 902 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,1|1,0,1]=4 903 B9R0.42 CC(C)C(=O)N[C@H](C)CO 240690a_100000737577_100000210198 [0,1,0,0,0,1|1,0,1]=4 904 B9R0.42 CC(C)C(=O)N[C@H](C)CO 527a_100000737577_100000210198 [0,1,0,0,0,1|1,0,1]=4 905 B9R0.42 CC(C)C(C)NC(=O)CO 240690a_100000211541_100000210174 [0,1,0,0,0,1|1,0,1]=4 906 B9R0.42 CC(C)C(C)NC(=O)CO 527a_100000211541_100000210174 [0,1,0,0,0,1|1,0,1]=4 907 B9R0.42 CCC(=CC(=O)C(C)C)C 1458a_100020758463_100000210206 [0,1,0,0,0,1|2,0,0]=4 908 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,0,1|1,0,0]=3 909 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,0,1|1,0,0]=3 910 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,0,0,0,1|2,0,0]=4 911 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,0,0,0,1|2,0,0]=4 912 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,0,1|2,0,0]=4 913 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,0,1|2,0,0]=4 914 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,1|0,0,2]=4 915 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,1|1,0,1]=4 916 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,1|1,0,1]=4 917 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,1|1,0,0]=3 918 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,1|1,0,0]=3 919 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,1|1,0,0]=3 920 B9R0.42 CCC(C)NC(=O)C(O)O 240690a_100000209981_100000233687 [0,1,0,0,0,1|0,0,2]=4 921 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,0,1|1,0,1]=4 922 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,0,1|1,0,1]=4 923 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,0,1|1,0,1]=4 924 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [0,1,0,0,0,1|1,0,1]=4 925 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,1,0,0,0,1|1,0,1]=4 926 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,1,0,0,0,1|1,0,1]=4 927 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,1|2,0,0]=4 928 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,1|0,0,2]=4 929 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,1|1,0,1]=4 930 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,1|1,0,1]=4 931 B9R0.42 CN(C)C(=O)CC(=O)CO 1458a_100000210174_100000185267 [0,1,0,0,0,1|1,0,0]=3 932 B9R0.42 CNC(=O)CC(=O)C(C)C 1458a_100000210198_100000183359 [0,1,0,0,0,1|1,0,0]=3 933 B9R0.42 CNC(=O)CC(=O)C(C)F 1458a_100000062450_100000183359 [0,1,0,0,0,1|2,0,0]=4 934 B9R0.42 CNC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000183359 [0,1,0,0,0,1|2,0,0]=4 935 B9R0.42 CNC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000183359 [0,1,0,0,0,1|2,0,0]=4 936 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000210198_100000747449 [0,1,0,0,0,1|0,0,0]=2 937 B9R0.42 COC(=O)CC(=O)C(C)C 1458a_100000211351_100000210206 [0,1,0,0,0,1|0,0,0]=2 938 B9R0.42 COC(=O)CC(=O)C(C)F 1458a_100000062450_100000747449 [0,1,0,0,0,1|1,0,0]=3 939 B9R0.42 COC(=O)CC(=O)C(O)O 1458a_100000233687_100000747449 [0,1,0,0,0,1|2,0,0]=4 940 B9R0.42 COC(=O)CC(=O)N(C)C 240690a_100102631434_100000211351 [0,1,0,0,0,1|1,0,0]=3 941 B9R0.42 COC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747449 [0,1,0,0,0,1|1,0,0]=3 942 B9R0.42 COC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747449 [0,1,0,0,0,1|1,0,0]=3 943 B9R0.42 COC(=O)CN(C)C(C)C 2230a_100000198492_100000210206 [0,1,0,0,0,1|2,0,0]=4 944 B9R0.42 COC(=O)CN(C)C(C)C 269982a_200000211004_100000747449 [0,1,0,0,0,1|2,0,0]=4 945 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [0,1,0,0,0,1|1,0,1]=4 946 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,1|0,0,2]=4 947 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,1|1,0,1]=4 948 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,1|1,0,1]=4 949 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,0,0,0,1|1,0,0]=3 950 B9R0.42 C[C@H](CF)NC(=O)C(O)O 240690a_100102880703_100000233687 [0,1,0,0,0,1|0,0,2]=4 951 B9R0.42 C[C@H](CF)NC(=O)[C@@H](C)O 240690a_100102880703_100000717761 [0,1,0,0,0,1|1,0,1]=4 952 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 1626a_100102880703_217856618621 [0,1,0,0,0,1|1,0,1]=4 953 B9R0.42 C[C@H](CF)NC(=O)[C@H](C)O 240690a_100102880703_217856618621 [0,1,0,0,0,1|1,0,1]=4 954 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,1|1,0,0]=3 955 B9R0.42 C[C@H](CO)NC(=O)C(O)O 240690a_100000737577_100000233687 [0,1,0,0,0,1|0,0,2]=4 956 B9R0.42 C[C@H](CO)NC(=O)[C@@H](C)O 240690a_100000737577_100000717761 [0,1,0,0,0,1|1,0,1]=4 957 B9R0.42 C[C@H](CO)NC(=O)[C@H](C)O 240690a_100000737577_217856618621 [0,1,0,0,0,1|1,0,1]=4 958 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [0,1,0,0,0,1|1,0,1]=4 959 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 11a_100000715429_100009813364 [0,1,0,0,0,1|2,0,0]=4 960 B9R0.57 C=C(Br)C(=O)NC(C)(C)C 1626a_100000715429_100009813364 [0,1,0,0,0,1|2,0,0]=4 961 B9R0.57 C=C(C)C(=O)NC(C)(C)C 11a_100000715429_100000185857 [0,1,0,0,0,1|2,0,0]=4 962 B9R0.57 C=C(C)C(=O)NC(C)(C)C 1626a_100000715429_100000185857 [0,1,0,0,0,1|2,0,0]=4 963 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 11a_100000715429_100000039160 [0,1,0,0,0,1|2,0,0]=4 964 B9R0.57 C=C(Cl)C(=O)NC(C)(C)C 1626a_100000715429_100000039160 [0,1,0,0,0,1|2,0,0]=4 965 B9R0.57 C=C(F)C(=O)NC(C)(C)C 11a_100000715429_100000036797 [0,1,0,0,0,1|2,0,0]=4 966 B9R0.57 C=C(F)C(=O)NC(C)(C)C 1626a_100000715429_100000036797 [0,1,0,0,0,1|2,0,0]=4 967 B9R0.57 CC(=O)C(=O)NC(C)(C)C 1458a_100000238687_200000210301 [0,1,0,0,0,1|1,0,0]=3 968 B9R0.57 CC(C)(C)NC(=O)C(=O)N 240690a_100000715429_100011215815 [0,1,0,0,0,1|1,0,0]=3 969 B9R0.57 CC(C)(C)NC(=O)C(=O)[13CH3] 1458a_100000238687_200025704644 [0,1,0,0,0,1|1,0,0]=3 970 B9R0.57 CC(C)(C)NC(=O)C(O)O 240690a_100000715429_100000233687 [0,1,0,0,0,1|0,0,2]=4 971 B9R0.57 CC(C)C(=O)CC(C)(C)O 1458a_100000693243_100000210206 [0,1,0,0,0,1|1,0,1]=4 972 B9R0.57 CC(C)C(=O)CS(=O)(=O)C 1458a_100000744497_100000210206 [0,1,0,0,0,1|1,0,1]=4 973 B9R0.57 CC(C)C(=O)CS(=O)(=O)N 1458a_100000210198_100000741382 [0,1,0,0,0,1|1,0,1]=4 974 B9R0.57 CC(C)C(=O)CS(=O)(=O)[O-] 1458a_100000210198_100009817235 [0,1,0,0,0,1|1,0,1]=4 975 B9R0.57 CC(C)C(=O)NS(=O)(=O)C 2740a_100000171171_100000210198 [0,1,0,0,0,1|1,0,1]=4 976 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 240690a_100000715429_100000717761 [0,1,0,0,0,1|1,0,1]=4 977 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [0,1,0,0,0,1|1,0,1]=4 978 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 1626a_100000715429_217856618621 [0,1,0,0,0,1|1,0,1]=4 979 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 240690a_100000715429_217856618621 [0,1,0,0,0,1|1,0,1]=4 980 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 11a_200000211004_100009813364 [0,1,0,0,0,1|2,0,0]=4 981 B9R0.79 C=C(Br)C(=O)N(C)C(C)C 1626a_200000211004_100009813364 [0,1,0,0,0,1|2,0,0]=4 982 B9R0.79 C=C(C)C(=O)N(C)C(C)C 11a_200000211004_100000185857 [0,1,0,0,0,1|2,0,0]=4 983 B9R0.79 C=C(C)C(=O)N(C)C(C)C 1626a_200000211004_100000185857 [0,1,0,0,0,1|2,0,0]=4 984 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 11a_200000211004_100000039160 [0,1,0,0,0,1|2,0,0]=4 985 B9R0.79 C=C(Cl)C(=O)N(C)C(C)C 1626a_200000211004_100000039160 [0,1,0,0,0,1|2,0,0]=4 986 B9R0.79 C=C(F)C(=O)N(C)C(C)C 11a_200000211004_100000036797 [0,1,0,0,0,1|2,0,0]=4 987 B9R0.79 C=C(F)C(=O)N(C)C(C)C 1626a_200000211004_100000036797 [0,1,0,0,0,1|2,0,0]=4 988 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [0,1,0,0,0,1|1,0,0]=3 989 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [0,1,0,0,0,1|1,0,0]=3 990 B9R0.79 CC(=O)C(C)C(=O)C(C)F 1458a_100000062450_100000179758 [0,1,0,0,0,1|2,0,0]=4 991 B9R0.79 CC(=O)C(C)C(=O)N(C)C 1458a_100000070787_100000209910 [0,1,0,0,0,1|2,0,0]=4 992 B9R0.79 CC(=O)C(C)C(=O)[C@@H](C)O 1458a_100000717761_100000179758 [0,1,0,0,0,1|2,0,0]=4 993 B9R0.79 CC(=O)C(C)C(=O)[C@H](C)O 1458a_217856618621_100000179758 [0,1,0,0,0,1|2,0,0]=4 994 B9R0.79 CC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000702099 [0,1,0,0,0,1|2,0,0]=4 995 B9R0.79 CC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000702099 [0,1,0,0,0,1|2,0,0]=4 996 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [0,1,0,0,0,1|1,0,0]=3 997 B9R0.79 CC(C)C(=O)C(F)C(=O)N 1458a_100000210198_100009813875 [0,1,0,0,0,1|1,0,0]=3 998 B9R0.79 CC(C)C(=O)C(F)C(=O)[O-] 1458a_100000210198_100020610796 [0,1,0,0,0,1|0,0,1]=3 999 B9R0.79 CC(C)N(C)C(=O)C(=O)N 240690a_200000211004_100011215815 [0,1,0,0,0,1|1,0,0]=3 1000 B9R0.79 CC(C)N(C)C(=O)C(O)O 240690a_200000211004_100000233687 [0,1,0,0,0,1|0,0,2]=4 1001 B9R0.79 CC(C)N(C)C(=O)[C@@H](C)O 240690a_200000211004_100000717761 [0,1,0,0,0,1|1,0,1]=4 1002 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 1626a_200000211004_217856618621 [0,1,0,0,0,1|1,0,1]=4 1003 B9R0.79 CC(C)N(C)C(=O)[C@H](C)O 240690a_200000211004_217856618621 [0,1,0,0,0,1|1,0,1]=4 1004 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [0,1,0,0,0,1|1,0,1]=4 1005 B9R0.79 CC(F)C(=O)C(C)C(=O)N 1458a_100000062450_100000702099 [0,1,0,0,0,1|2,0,0]=4 1006 B9R0.79 CC(F)C(=O)C(F)C(=O)N 1458a_100000062450_100009813875 [0,1,0,0,0,1|2,0,0]=4 1007 B9R0.79 CC(F)C(=O)C(F)C(=O)[O-] 1458a_100000062450_100020610796 [0,1,0,0,0,1|1,0,1]=4 1008 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)N 1458a_100000717761_100009813875 [0,1,0,0,0,1|2,0,0]=4 1009 B9R0.79 C[C@@H](O)C(=O)C(F)C(=O)[O-] 1458a_100000717761_100020610796 [0,1,0,0,0,1|1,0,1]=4 1010 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)N 1458a_217856618621_100009813875 [0,1,0,0,0,1|2,0,0]=4 1011 B9R0.79 C[C@H](O)C(=O)C(F)C(=O)[O-] 1458a_217856618621_100020610796 [0,1,0,0,0,1|1,0,1]=4 1012 B9R0.6 C#CCC(=O)C(=O)N(C)C 1458a_100011218876_100000184674 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.6 C=C(C)C(=O)C(C)CC#N 1458a_100000185857_100009813641 [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,2,0,0,0,0|2,0,0]=4 1015 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.6 C=CCC(=O)C(=O)N(C)C 1458a_100011218876_100000210623 [0,2,0,0,0,0|2,0,0]=4 1018 B9R0.6 C=CCN(C)C(=O)C(=O)N 240690a_100000225617_100011215815 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,2,0,0,0,0|1,0,1]=4 1020 B9R0.6 CC(C)C(=O)N(C)CCO 240690a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.6 CC(C)C(=O)N(C)CCO 527a_100000210263_100000210198 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.6 CC(C)C(C)C(=O)CCO 1458a_100000755409_100000211926 [0,2,0,0,0,0|1,0,1]=4 1023 B9R0.6 CC(C)N(C)C(=O)CCO 240690a_200000211004_100011216618 [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.6 CC(C)[C@@H](O)C(=O)CCO 1458a_100000691806_100000211926 [0,2,0,0,0,0|0,0,2]=4 1025 B9R0.6 CC(CC#N)C(=O)C(O)O 1458a_100000233687_100009813641 [0,2,0,0,0,0|0,0,2]=4 1026 B9R0.6 CC(CC#N)C(=O)[C@@H](C)O 1458a_100000717761_100009813641 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.6 CC(CC#N)C(=O)[C@H](C)O 1458a_217856618621_100009813641 [0,2,0,0,0,0|1,0,1]=4 1028 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,2,0,0,0,0|0,0,2]=4 1029 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,2,0,0,0,0|1,0,1]=4 1030 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,2,0,0,0,0|1,0,1]=4 1031 B9R0.6 CC/C=C(\C)/C(=O)C(C)C 1458a_100016988807_100000210206 [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,2,0,0,0,0|0,0,2]=4 1034 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,2,0,0,0,0|1,0,1]=4 1035 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,2,0,0,0,0|1,0,1]=4 1038 B9R0.6 CCNC(=O)C(=O)C(C)C 1458a_200011297158_100000210206 [0,2,0,0,0,0|1,0,0]=3 1039 B9R0.6 CCNC(=O)C(=O)N(C)C 1626a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.6 CCNC(=O)C(=O)N(C)C 240690a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100015525214_100011218876 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.6 CCNC(=O)C(=O)N(C)C 527a_100102631434_200011297158 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.6 CCOC(=O)C(=O)N(C)C 11a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 1045 B9R0.6 CCOC(=O)C(=O)N(C)C 1626a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 1046 B9R0.6 CCOC(=O)C(=O)N(C)C 240690a_100102631434_100014798877 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,2,0,0,0,0|1,0,1]=4 1048 B9R0.6 CN(C)C(=O)C(=O)CC#N 1458a_100011218876_100011214920 [0,2,0,0,0,0|2,0,0]=4 1049 B9R0.6 CN(C)C(=O)C(=O)CCF 1458a_100011218876_100011217306 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.6 CN(C)C(=O)C(=O)CCO 1458a_100011218876_100000211926 [0,2,0,0,0,0|1,0,0]=3 1051 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,2,0,0,0,0|2,0,0]=4 1052 B9R0.6 CNNC(=O)C(=O)N(C)C 22a_100016993582_100011218876 [0,2,0,0,0,0|2,0,0]=4 1053 B9R0.6 CO/N=C(\C)/C(=O)C(C)C 1458a_100160996864_100000210206 [0,2,0,0,0,0|1,0,0]=3 1054 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 11a_100102631434_100160996864 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.6 CO/N=C(\C)/C(=O)N(C)C 240690a_100102631434_100160996864 [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.6 COCC(=O)N(C)C(C)C 11a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.6 COCC(=O)N(C)C(C)C 1626a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.6 COCC(=O)N(C)C(C)C 240690a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 1059 B9R0.6 COCC(=O)N(C)C(C)C 34a_100138415774_100000230190 [0,2,0,0,0,0|2,0,0]=4 1060 B9R0.6 COCC(=O)N(C)C(C)C 527a_200000211004_100000210968 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,2,0,0,0,0|1,0,1]=4 1062 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,2,0,0,0,0|1,0,1]=4 1063 B9R0.6 COCC(C)C(=O)C(O)O 1458a_100000233687_100000765312 [0,2,0,0,0,0|0,0,2]=4 1064 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,2,0,0,0,0|1,0,1]=4 1065 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,2,0,0,0,0|1,0,1]=4 1066 B9R0.25 CCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000758301 [0,2,0,0,0,0|1,0,1]=4 1067 B9R0.25 CN(C(=O)CO)C(C)(C)C 240690a_100011215553_100000210174 [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.27 C#CC(C)C(=O)C(=O)NC 1458a_100011218921_200000035995 [0,2,0,0,0,0|1,0,1]=4 1069 B9R0.27 C/C=C(\C)/C(=O)C(C)CC 1458a_100020587367_100000758301 [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.27 CC(CO)N(C)C(=O)CO 240690a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.27 CC(CO)N(C)C(=O)CO 527a_100000693034_100000210174 [0,2,0,0,0,0|2,0,0]=4 1072 B9R0.27 CCC(C)C(=O)C(=O)NC 1458a_100011218921_100000758301 [0,2,0,0,0,0|1,0,0]=3 1073 B9R0.27 CCC(C)C(=O)C(C)OC 1458a_100000743197_100000758301 [0,2,0,0,0,0|1,0,1]=4 1074 B9R0.27 CCC(C)C(=O)C(O)CC 1458a_100011196387_100000758301 [0,2,0,0,0,0|1,0,1]=4 1075 B9R0.27 CCC(C)C(=O)C(O)CO 1458a_100011215603_100000758301 [0,2,0,0,0,0|0,0,2]=4 1076 B9R0.27 CCC(C)N(C)C(=O)CO 240690a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.27 CCC(C)N(C)C(=O)CO 527a_100000741768_100000210174 [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.27 CCN(C)C(=O)C(=O)NC 1626a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1079 B9R0.27 CCN(C)C(=O)C(=O)NC 240690a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.27 CCN(C)C(=O)C(=O)NC 527a_100000225621_100011218921 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.27 CCN(C)C(=O)C(=O)OC 11a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1082 B9R0.27 CCN(C)C(=O)C(=O)OC 1626a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1083 B9R0.27 CCN(C)C(=O)C(=O)OC 240690a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1084 B9R0.27 CCN(C)C(=O)C(=O)OC 527a_100000225621_100000024059 [0,2,0,0,0,0|1,0,0]=3 1085 B9R0.27 CNC(=O)C(=O)C(C)C#N 1458a_100011218921_100000703298 [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.27 CNC(C)C(=O)C(=O)OC 2230a_106832991635_100000692041 [0,2,0,0,0,0|0,0,0]=2 1087 B9R0.27 CNC(C)C(=O)C(=O)OC 34a_100102657272_100000692041 [0,2,0,0,0,0|0,0,0]=2 1088 B9R0.27 CNC(C)C(=O)N(C)OC 269862a_106832991636_100000090643 [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.27 COC(=O)C(=O)C(C)OC 34a_100138415774_100000692041 [0,2,0,0,0,0|0,0,0]=2 1090 B9R0.27 COC(=O)C(=O)C(C)SC 62a_100000692041_200000210301 [0,2,0,0,0,0|0,0,0]=2 1091 B9R0.27 COC(=O)C(=O)C(C)SC 62a_200000210301_100000692041 [0,2,0,0,0,0|0,0,0]=2 1092 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_100000692041_200025704644 [0,2,0,0,0,0|0,0,0]=2 1093 B9R0.27 COC(=O)C(=O)C(C)S[13CH3] 62a_200025704644_100000692041 [0,2,0,0,0,0|0,0,0]=2 1094 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)OC 34a_100000004424_200000210301 [0,2,0,0,0,0|1,0,1]=4 1095 B9R0.27 COC(=O)[C@@H](N)[C@@H](C)O[13CH3] 34a_100000004424_200025704644 [0,2,0,0,0,0|1,0,1]=4 1096 B9R0.29 CCN(C(=O)CO)C(C)C 240690a_100000223864_100000210174 [0,2,0,0,0,0|2,0,0]=4 1097 B9R0.29 CCN(C(=O)CO)C(C)C 527a_100000223864_100000210174 [0,2,0,0,0,0|2,0,0]=4 1098 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 1099 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 1100 B9R0.29 CNC(C(=O)OC)C(C)C 2230a_106832991635_100000736125 [0,2,0,0,0,0|1,0,1]=4 1101 B9R0.29 CNC(C(=O)OC)C(C)C 34a_100102657272_100000736125 [0,2,0,0,0,0|1,0,1]=4 1102 B9R0.29 CNC(C(=O)OC)C(C)C 7a_106832991635_100000736125 [0,2,0,0,0,0|1,0,1]=4 1103 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [0,2,0,0,0,0|1,0,1]=4 1104 B9R0.29 COC(=O)C(OC)C(C)C 34a_100138415774_100000736125 [0,2,0,0,0,0|0,0,2]=4 1105 B9R0.29 COC(=O)C(SC)C(C)C 62a_100000736125_200000210301 [0,2,0,0,0,0|0,1,1]=4 1106 B9R0.29 COC(=O)C(SC)C(C)C 62a_200000210301_100000736125 [0,2,0,0,0,0|0,1,1]=4 1107 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_100000736125_200025704644 [0,2,0,0,0,0|0,1,1]=4 1108 B9R0.29 COC(=O)C(S[13CH3])C(C)C 62a_200025704644_100000736125 [0,2,0,0,0,0|0,1,1]=4 1109 B9R0.29 COC(=O)[C@H](OC)C(C)C 34a_100009883636_200000210301 [0,2,0,0,0,0|0,0,2]=4 1110 B9R0.29 COC(=O)[C@H](OC)C(C)C 7a_100009883636_200000210301 [0,2,0,0,0,0|0,0,2]=4 1111 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 34a_100009883636_200025704644 [0,2,0,0,0,0|0,0,2]=4 1112 B9R0.29 COC(=O)[C@H](O[13CH3])C(C)C 7a_100009883636_200025704644 [0,2,0,0,0,0|0,0,2]=4 1113 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.32 C#CC(C)(C)C(=O)C(=C)C 1458a_100000185857_100000038118 [0,2,0,0,0,0|2,0,0]=4 1115 B9R0.32 C#CC(C)(C)C(=O)C(O)O 1458a_100000233687_100000038118 [0,2,0,0,0,0|0,0,2]=4 1116 B9R0.32 C#CC(C)(C)C(=O)[C@@H](C)O 1458a_100000717761_100000038118 [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.32 C#CC(C)(C)C(=O)[C@H](C)O 1458a_217856618621_100000038118 [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.32 CC(C)C(=O)C(C)(C)CO 1458a_100000749806_100000210206 [0,2,0,0,0,0|1,0,1]=4 1119 B9R0.32 CCC(C)(O)C(=O)C(C)C 1458a_100011219770_100000210206 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.32 COC(C)(C)C(=O)C(C)C 1458a_100000753492_100000210206 [0,2,0,0,0,0|1,0,1]=4 1121 B9R0.41 C=C(C)C(=O)C(CC)CC 1458a_100000185857_100000210505 [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.41 CCC(CC)C(=O)C(O)O 1458a_100000233687_100000210505 [0,2,0,0,0,0|0,0,2]=4 1123 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,2,0,0,0,0|1,0,1]=4 1125 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,2,0,0,0,0|1,0,1]=4 1126 B9R0.41 CCN(CC)C(=O)C(=O)C 1458a_200000187824_200000210301 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.41 CCN(CC)C(=O)C(=O)[13CH3] 1458a_200000187824_200025704644 [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.41 COC(OC)C(=O)C(C)C 1458a_100000046285_100000210206 [0,2,0,0,0,0|0,0,2]=4 1130 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,2,0,0,0,0|1,0,1]=4 1131 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,2,0,0,0,0|1,0,1]=4 1132 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,2,0,0,0,0|1,0,1]=4 1133 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 1134 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 1135 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 1136 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,2,0,0,0,0|1,0,1]=4 1137 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 1138 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,2,0,0,0,0|1,0,1]=4 1139 B7R1.12 CC(=O)C1CC1C 1458a_100000211227_200000210301 [1,0,0,1,0,0|1,0,1]=4 1140 B7R1.12 CC1CC1C(=O)[13CH3] 1458a_100000211227_200025704644 [1,0,0,1,0,0|1,0,1]=4 1141 B7R1.20 CC(=O)CC1CC1 1458a_100000070787_100000742324 [1,0,0,1,0,0|1,0,1]=4 1142 B7R1.20 CC(=O)CC1CC1 1458a_100000738066_200000210301 [1,0,0,1,0,0|1,0,1]=4 1143 B7R1.20 CC(=O)NC1CC1 1626a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1144 B7R1.20 CC(=O)NC1CC1 240690a_100000212008_100015343762 [1,0,0,1,0,0|2,0,0]=4 1145 B7R1.20 CC(=O)NC1CC1 527a_100000212008_100103153847 [1,0,0,1,0,0|2,0,0]=4 1146 B7R1.20 [13CH3]C(=O)CC1CC1 1458a_100000738066_200025704644 [1,0,0,1,0,0|1,0,1]=4 1147 B7R1.22 CCC(=O)C1CC1 1458a_100000210395_100000210202 [1,0,0,1,0,0|1,0,1]=4 1148 B7R1.22 CCC(=O)C1CO1 1458a_100000701028_100000210202 [1,0,0,1,0,0|1,0,1]=4 1149 B7R1.22 CNC(=O)C1CC1 11a_106832991635_100000210395 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.22 CNC(=O)C1CC1 1626a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 1151 B7R1.22 CNC(=O)C1CC1 240690a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.22 CNC(=O)C1CC1 527a_100102657272_100000210395 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.22 O=C(CF)C1CC1 1458a_100000210395_100015361967 [1,0,0,1,0,0|1,0,1]=4 1154 B9R1.35 CC(C)c1cnc(s1)O 271570a_203496583355_100000697854 [0,0,0,1,0,1|2,0,0]=4 1155 B9R1.35 CC(C)c1nc(cs1)O 271570a_203496583355_200011934575 [0,0,0,1,0,1|1,1,0]=4 1156 B9R1.35 CC(C)c1nnc(s1)O 271570a_203496583355_100000687747 [0,0,0,1,0,1|2,0,0]=4 1157 B9R1.35 CC(C)c1noc(n1)O 270196a_100000210513_100015183105 [0,0,0,1,0,1|1,0,1]=4 1158 B9R1.35 Cc1nc(no1)C(C)C 270196a_100000210513_100000070787 [0,0,0,1,0,1|2,0,0]=4 1159 B9R1.112 C=C(Br)C(=O)NC1CC1 1626a_100000212008_100009813364 [0,0,0,1,0,1|2,0,0]=4 1160 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,1|2,0,0]=4 1161 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,0,0,1,0,1|2,0,0]=4 1162 B9R1.112 C=C(Cl)C(=O)NC1CC1 1626a_100000212008_100000039160 [0,0,0,1,0,1|2,0,0]=4 1163 B9R1.112 C=C(F)C(=O)NC1CC1 1626a_100000212008_100000036797 [0,0,0,1,0,1|2,0,0]=4 1164 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,1|1,0,0]=3 1165 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,0,1,0,1|1,0,1]=4 1166 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,0,1,0,1|1,0,1]=4 1167 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,1|1,0,1]=4 1168 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,0,1|1,0,1]=4 1169 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [0,0,0,1,0,1|1,0,1]=4 1170 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,1|1,0,1]=4 1171 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,0,1|1,0,1]=4 1172 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,0,1|1,0,1]=4 1173 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,1|1,0,0]=3 1174 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,1|0,0,2]=4 1175 B9R1.112 O=C(NC1CC1)C(O)O 240690a_100000212008_100000233687 [0,0,0,1,0,1|0,0,2]=4 1176 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,1|1,0,0]=3 1177 B9R1.137 C=C(C)CC(=O)C1CC1 1458a_100000210395_100000748629 [0,0,0,1,0,1|2,0,0]=4 1178 B9R1.137 C=C(F)CC(=O)C1CC1 1458a_100000210395_100009893438 [0,0,0,1,0,1|2,0,0]=4 1179 B9R1.137 CC(=CC(=O)[13CH3])C1CC1 1458a_100000742917_200025704644 [0,0,0,1,0,1|2,0,0]=4 1180 B9R1.137 CC(=O)C=C(C)C1CC1 1458a_100000742917_200000210301 [0,0,0,1,0,1|2,0,0]=4 1181 B9R1.137 CC(=O)CC(=O)C1CC1 1458a_100000070787_100000746382 [0,0,0,1,0,1|1,0,0]=3 1182 B9R1.137 CC(C)CC(=O)C1CO1 1458a_100000701028_100000210624 [0,0,0,1,0,1|1,0,1]=4 1183 B9R1.137 CC(C)NC(=O)C1CO1 11a_100138425928_100000701028 [0,0,0,1,0,1|1,0,1]=4 1184 B9R1.137 CC(C)NC(=O)C1CO1 1626a_100138425928_100000701028 [0,0,0,1,0,1|1,0,1]=4 1185 B9R1.137 CC(C)NC(=O)C1CO1 240690a_100138425928_100000701028 [0,0,0,1,0,1|1,0,1]=4 1186 B9R1.137 CC(C)NC(=O)C1CO1 527a_100138425928_100000701028 [0,0,0,1,0,1|1,0,1]=4 1187 B9R1.137 CC(O)CC(=O)C1CC1 1458a_100000210395_100011218427 [0,0,0,1,0,1|1,0,1]=4 1188 B9R1.137 CN(CC(=O)O)C1CC1 269956a_100000746989_100000211595 [0,0,0,1,0,1|2,0,0]=4 1189 B9R1.137 NC(=O)CC(=O)C1CC1 1458a_100000210395_100000187820 [0,0,0,1,0,1|1,0,0]=3 1190 B9R1.137 NC(=O)CC(=O)C1CO1 1458a_100000701028_100000187820 [0,0,0,1,0,1|2,0,0]=4 1191 B9R1.137 O=C(C[N+](=O)[O-])C1CC1 1458a_100000210395_100000761209 [0,0,0,1,0,1|1,0,1]=4 1192 B9R1.137 O=C([O-])CC(=O)C1CC1 1458a_100000210395_100020667443 [0,0,0,1,0,1|0,0,1]=3 1193 B9R1.137 O=C([O-])CC(=O)C1CO1 1458a_100000701028_100020667443 [0,0,0,1,0,1|1,0,1]=4 1194 B9R1.41 CC(C)c1[nH]ncc1O 271570a_203496583355_100000690187 [0,1,0,1,0,0|2,0,0]=4 1195 B9R1.81 CC1CCN1C(=O)CO 240690a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.81 CC1CCN1C(=O)CO 527a_100000755817_100000210174 [0,1,0,1,0,0|2,0,0]=4 1197 B9R1.101 CCC(C)C(=O)C1CO1 1458a_100000701028_100000758301 [0,1,0,1,0,0|1,0,1]=4 1198 B9R1.101 CN(C(=O)CO)C1CC1 240690a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.101 CN(C(=O)CO)C1CC1 527a_100000226674_100000210174 [0,1,0,1,0,0|2,0,0]=4 1200 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,1,0,1,0,0|2,0,0]=4 1201 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,1,0,1,0,0|2,0,0]=4 1202 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,1,0,1,0,0|1,0,1]=4 1203 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,1,0,1,0,0|1,0,1]=4 1204 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,1,0,1,0,0|1,0,1]=4 1205 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,1,0,1,0,0|1,0,1]=4 1206 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,1,0,1,0,0|1,0,1]=4 1207 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,1,0,1,0,0|1,0,1]=4 1208 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,1,0,1,0,0|1,0,1]=4 1209 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,1,0,1,0,0|2,0,0]=4 1210 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,1,0,1,0,0|0,0,2]=4 1211 B9R1.110 O=C(C(O)O)C1COC1 1458a_100000233687_100000687716 [0,1,0,1,0,0|0,0,2]=4 1212 B9R1.111 CC(C)C(=O)C1(CC1)O 1458a_100000241761_100000210206 [0,1,0,1,0,0|1,0,1]=4 1213 B7R0.6 CC(=CCC(=O)[13CH3])C 1458a_100011220947_200025704644 [1,0,0,0,0,1|1,0,1]=4 1214 B7R0.6 CC(=O)C=CC(C)C 1458a_100016268746_200000210301 [1,0,0,0,0,1|1,0,0]=3 1215 B7R0.6 CC(=O)CC=C(C)C 1458a_100000070787_100000761012 [1,0,0,0,0,1|1,0,1]=4 1216 B7R0.6 CC(=O)CC=C(C)C 1458a_100011220947_200000210301 [1,0,0,0,0,1|1,0,1]=4 1217 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [1,0,0,0,0,1|1,0,1]=4 1218 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [1,0,0,0,0,1|1,0,1]=4 1219 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [1,0,0,0,0,1|1,0,1]=4 1220 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [1,0,0,0,0,1|1,0,1]=4 1221 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [1,0,0,0,0,1|1,0,1]=4 1222 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [1,0,0,0,0,1|1,0,1]=4 1223 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [1,0,0,0,0,1|1,0,1]=4 1224 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [1,0,0,0,0,1|1,0,1]=4 1225 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [1,0,0,0,0,1|1,0,1]=4 1226 B7R0.6 CC(=O)NNC(C)C 22a_100000741168_100000070787 [1,0,0,0,0,1|2,0,0]=4 1227 B7R0.6 CC(C)C=CC(=O)[13CH3] 1458a_100016268746_200025704644 [1,0,0,0,0,1|1,0,0]=3 1228 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [1,0,0,0,0,1|1,0,1]=4 1229 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [1,0,0,0,0,1|1,0,1]=4 1230 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [1,0,0,0,0,1|1,0,1]=4 1231 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [1,0,0,0,0,1|1,0,1]=4 1232 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [1,0,0,0,0,1|0,0,1]=3 1233 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [1,0,0,0,0,1|0,0,2]=4 1234 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [1,0,0,0,0,1|1,0,1]=4 1235 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [1,0,0,0,0,1|1,0,1]=4 1236 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [1,0,0,0,0,1|0,0,2]=4 1237 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [1,0,0,0,0,1|1,0,1]=4 1238 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [1,0,0,0,0,1|1,0,1]=4 1239 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [1,0,0,0,0,1|1,0,1]=4 1240 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [1,0,0,0,0,1|0,0,2]=4 1241 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [1,0,0,0,0,1|0,0,2]=4 1242 B9R0.7 C=C(Br)C(=O)NCC(C)C 11a_100000210953_100009813364 [0,0,0,0,0,2|2,0,0]=4 1243 B9R0.7 C=C(Br)C(=O)NCC(C)C 1626a_100000210953_100009813364 [0,0,0,0,0,2|2,0,0]=4 1244 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,0,0,0,0,2|2,0,0]=4 1245 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,0,0,0,0,2|2,0,0]=4 1246 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,0,0,0,0,2|2,0,0]=4 1247 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,0,0,0,0,2|2,0,0]=4 1248 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,0,0,0,0,2|2,0,0]=4 1249 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,0,0,0,0,2|2,0,0]=4 1250 B9R0.7 C=C(C)CNC(=O)C(C)C 11a_100000765925_100000210198 [0,0,0,0,0,2|2,0,0]=4 1251 B9R0.7 C=C(C)CNC(=O)C(C)C 1626a_100000765925_100000210198 [0,0,0,0,0,2|2,0,0]=4 1252 B9R0.7 C=C(C)CNC(=O)C(C)C 240690a_100000765925_100000210198 [0,0,0,0,0,2|2,0,0]=4 1253 B9R0.7 C=C(C)CNC(=O)C(C)C 527a_100000765925_100000210198 [0,0,0,0,0,2|2,0,0]=4 1254 B9R0.7 C=C(Cl)C(=O)NCC(C)C 11a_100000210953_100000039160 [0,0,0,0,0,2|2,0,0]=4 1255 B9R0.7 C=C(Cl)C(=O)NCC(C)C 1626a_100000210953_100000039160 [0,0,0,0,0,2|2,0,0]=4 1256 B9R0.7 C=C(Cl)C(=O)NNC(C)C 22a_100000741168_100000039160 [0,0,0,0,0,2|2,0,0]=4 1257 B9R0.7 C=C(F)C(=O)NCC(C)C 11a_100000210953_100000036797 [0,0,0,0,0,2|2,0,0]=4 1258 B9R0.7 C=C(F)C(=O)NCC(C)C 1626a_100000210953_100000036797 [0,0,0,0,0,2|2,0,0]=4 1259 B9R0.7 C=C(F)C(=O)NNC(C)C 22a_100000741168_100000036797 [0,0,0,0,0,2|2,0,0]=4 1260 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100000210198_100000761012 [0,0,0,0,0,2|2,0,0]=4 1261 B9R0.7 CC(=CCC(=O)C(C)C)C 1458a_100011220947_100000210206 [0,0,0,0,0,2|2,0,0]=4 1262 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,0,0,0,0,2|1,0,0]=3 1263 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,0,0,0,0,2|1,0,0]=3 1264 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,0,0,0,0,2|1,0,0]=3 1265 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,0,0,0,0,2|1,0,0]=3 1266 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,0,0,0,0,2|1,0,0]=3 1267 B9R0.7 CC(=O)C=CC(=O)N(C)C 1458a_100011200747_200000210301 [0,0,0,0,0,2|2,0,0]=4 1268 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,0,0,0,0,2|2,0,0]=4 1269 B9R0.7 CC(=O)CNC(=O)C(C)C 1458a_100000194582_200000210301 [0,0,0,0,0,2|1,0,0]=3 1270 B9R0.7 CC(=O)COC(=O)C(C)C 1458a_100000070787_100000139345 [0,0,0,0,0,2|1,0,0]=3 1271 B9R0.7 CC(=O)NCC(=O)C(C)C 1458a_100000194580_100000210206 [0,0,0,0,0,2|1,0,0]=3 1272 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100015183351_100015343762 [0,0,0,0,0,2|2,0,0]=4 1273 B9R0.7 CC(=O)NCC(=O)N(C)C 11a_100102631434_100000194580 [0,0,0,0,0,2|2,0,0]=4 1274 B9R0.7 CC(=O)NCC(=O)N(C)C 1626a_100102631434_100000194580 [0,0,0,0,0,2|2,0,0]=4 1275 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100015183351_100015343762 [0,0,0,0,0,2|2,0,0]=4 1276 B9R0.7 CC(=O)NCC(=O)N(C)C 240690a_100102631434_100000194580 [0,0,0,0,0,2|2,0,0]=4 1277 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100015183351_100103153847 [0,0,0,0,0,2|2,0,0]=4 1278 B9R0.7 CC(=O)NCC(=O)N(C)C 527a_100102631434_100000194580 [0,0,0,0,0,2|2,0,0]=4 1279 B9R0.7 CC(=O)NN=C(C)C(C)C 4a_100000189765_100000211110 [0,0,0,0,0,2|2,0,0]=4 1280 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000184118_100000070787 [0,0,0,0,0,2|1,0,0]=3 1281 B9R0.7 CC(=O)NNC(=O)C(C)C 22a_100000189765_100000210198 [0,0,0,0,0,2|1,0,0]=3 1282 B9R0.7 CC(=O)NNC(=O)C(C)F 22a_100000189765_100000062450 [0,0,0,0,0,2|2,0,0]=4 1283 B9R0.7 CC(=O)NNC(=O)[C@@H](C)O 22a_100000189765_100000717761 [0,0,0,0,0,2|2,0,0]=4 1284 B9R0.7 CC(=O)NNC(=O)[C@H](C)O 22a_100000189765_217856618621 [0,0,0,0,0,2|2,0,0]=4 1285 B9R0.7 CC(=O)OCC(=O)C(C)C 1458a_100000183556_100000210206 [0,0,0,0,0,2|1,0,0]=3 1286 B9R0.7 CC(=O)OCC(=O)N(C)C 1626a_100102631434_100000183556 [0,0,0,0,0,2|2,0,0]=4 1287 B9R0.7 CC(=O)OCC(=O)N(C)C 240690a_100102631434_100000183556 [0,0,0,0,0,2|2,0,0]=4 1288 B9R0.7 CC(=O)OCC(=O)N(C)C 527a_100102631434_100000183556 [0,0,0,0,0,2|2,0,0]=4 1289 B9R0.7 CC(=O)SCC(=O)C(C)C 1458a_100000049016_100000210206 [0,0,0,0,0,2|1,0,0]=3 1290 B9R0.7 CC(=O)SCC(=O)N(C)C 11a_100102631434_100000049016 [0,0,0,0,0,2|2,0,0]=4 1291 B9R0.7 CC(=O)SCC(=O)N(C)C 1626a_100102631434_100000049016 [0,0,0,0,0,2|2,0,0]=4 1292 B9R0.7 CC(=O)SCC(=O)N(C)C 240690a_100102631434_100000049016 [0,0,0,0,0,2|2,0,0]=4 1293 B9R0.7 CC(C)C(=O)CCC(=O)N 1458a_100011215257_100000210206 [0,0,0,0,0,2|1,0,0]=3 1294 B9R0.7 CC(C)C(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210206 [0,0,0,0,0,2|1,0,1]=4 1295 B9R0.7 CC(C)C(=O)CNC(=O)N 1458a_100000184981_100000210206 [0,0,0,0,0,2|1,0,0]=3 1296 B9R0.7 CC(C)C(=O)NCC(=O)N 11a_100000711301_100000210198 [0,0,0,0,0,2|1,0,0]=3 1297 B9R0.7 CC(C)C(=O)NCC(=O)N 240690a_100000711301_100000210198 [0,0,0,0,0,2|1,0,0]=3 1298 B9R0.7 CC(C)C(=O)NCC(=O)N 527a_100000711301_100000210198 [0,0,0,0,0,2|1,0,0]=3 1299 B9R0.7 CC(C)C(=O)NCC(=O)[13CH3] 1458a_100000194582_200025704644 [0,0,0,0,0,2|1,0,0]=3 1300 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,0,0,0,0,2|0,0,2]=4 1301 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,0,0,0,0,2|1,0,1]=4 1302 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,0,0,0,0,2|1,0,1]=4 1303 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,0,0,0,0,2|1,0,0]=3 1304 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,0,0,0,0,2|1,0,0]=3 1305 B9R0.7 CC(C)CNC(=O)C(O)O 240690a_100000210953_100000233687 [0,0,0,0,0,2|0,0,2]=4 1306 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,0,0,0,0,2|1,0,1]=4 1307 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,0,0,0,0,2|1,0,1]=4 1308 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,0,0,0,0,2|1,0,1]=4 1309 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,0,2|1,0,1]=4 1310 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,0,2|1,0,1]=4 1311 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [0,0,0,0,0,2|1,0,1]=4 1312 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,0,0,0,0,2|1,0,0]=3 1313 B9R0.7 CC(C)NNC(=O)C(O)O 22a_100000741168_100000233687 [0,0,0,0,0,2|0,0,2]=4 1314 B9R0.7 CC(C)NNC(=O)[C@@H](C)O 22a_100000741168_100000717761 [0,0,0,0,0,2|1,0,1]=4 1315 B9R0.7 CC(C)NNC(=O)[C@H](C)O 22a_100000741168_217856618621 [0,0,0,0,0,2|1,0,1]=4 1316 B9R0.7 CC(F)C(=O)NCC(=O)N 11a_100000711301_100000062450 [0,0,0,0,0,2|2,0,0]=4 1317 B9R0.7 CC(F)C(=O)NCC(=O)N 240690a_100000711301_100000062450 [0,0,0,0,0,2|2,0,0]=4 1318 B9R0.7 CC(F)C(=O)NCC(=O)N 527a_100000711301_100000062450 [0,0,0,0,0,2|2,0,0]=4 1319 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,0,0,0,0,2|1,0,1]=4 1320 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,0,0,0,0,2|2,0,0]=4 1321 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,0,0,0,0,2|1,0,1]=4 1322 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,0,0,0,0,2|1,0,1]=4 1323 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,0,0,0,0,2|1,0,1]=4 1324 B9R0.7 CN(C)C(=O)C=CC(=O)[13CH3] 1458a_100011200747_200025704644 [0,0,0,0,0,2|2,0,0]=4 1325 B9R0.7 CN(C)C(=O)CCC(=O)N 240690a_100102631434_100011215257 [0,0,0,0,0,2|2,0,0]=4 1326 B9R0.7 CN(C)C(=O)CCC(=O)N 527a_100102631434_100011215257 [0,0,0,0,0,2|2,0,0]=4 1327 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,0,0,0,0,2|2,0,0]=4 1328 B9R0.7 CN(C)C(=O)CNC(=O)N 240690a_100102631434_100000184981 [0,0,0,0,0,2|2,0,0]=4 1329 B9R0.7 CN(C)C(=O)CNC(=O)N 527a_100102631434_100000184981 [0,0,0,0,0,2|2,0,0]=4 1330 B9R0.7 CN(C)C(=O)CSC(=O)N 240690a_100102631434_200015941356 [0,0,0,0,0,2|2,0,0]=4 1331 B9R0.7 C[C@@H](O)C(=O)NCC(=O)N 240690a_100000711301_100000717761 [0,0,0,0,0,2|2,0,0]=4 1332 B9R0.7 C[C@H](O)C(=O)NCC(=O)N 240690a_100000711301_217856618621 [0,0,0,0,0,2|2,0,0]=4 1333 B9R0.53 C=C(C)CC(=O)CC(C)C 1458a_100000210554_100000748629 [0,0,0,0,0,2|2,0,0]=4 1334 B9R0.53 C=C(F)CC(=O)CC(C)C 1458a_100000210554_100009893438 [0,0,0,0,0,2|2,0,0]=4 1335 B9R0.53 CC(=CC(=O)CC(=O)N)C 1458a_100000211388_100000187820 [0,0,0,0,0,2|1,0,1]=4 1336 B9R0.53 CC(=CC(=O)CC(=O)[O-])C 1458a_100000211388_100020667443 [0,0,0,0,0,2|0,0,2]=4 1337 B9R0.53 CC(=CC(=O)CC(C)C)C 1458a_100000211388_100000210624 [0,0,0,0,0,2|2,0,0]=4 1338 B9R0.53 CC(=CC(=O)CC(C)C)Cl 1458a_200042562850_100000210624 [0,0,0,0,0,2|2,0,0]=4 1339 B9R0.53 CC(=CC(=O)CC(C)C)I 1458a_100025716642_100000210624 [0,0,0,0,0,2|2,0,0]=4 1340 B9R0.53 CC(=CC(=O)NC(C)C)C 11a_100138425928_100000211388 [0,0,0,0,0,2|2,0,0]=4 1341 B9R0.53 CC(=CC(=O)NC(C)C)C 1626a_100138425928_100000211388 [0,0,0,0,0,2|2,0,0]=4 1342 B9R0.53 CC(=CC(=O)NC(C)C)C 240690a_100138425928_100000211388 [0,0,0,0,0,2|2,0,0]=4 1343 B9R0.53 CC(=CC(=O)NC(C)C)Cl 11a_100138425928_200042562850 [0,0,0,0,0,2|2,0,0]=4 1344 B9R0.53 CC(=CC(=O)NC(C)C)Cl 1626a_100138425928_200042562850 [0,0,0,0,0,2|2,0,0]=4 1345 B9R0.53 CC(=CC(=O)NC(C)C)Cl 240690a_100138425928_200042562850 [0,0,0,0,0,2|2,0,0]=4 1346 B9R0.53 CC(=CC(=O)NC(C)C)I 11a_100138425928_100025716642 [0,0,0,0,0,2|2,0,0]=4 1347 B9R0.53 CC(=CC(=O)NC(C)C)I 1626a_100138425928_100025716642 [0,0,0,0,0,2|2,0,0]=4 1348 B9R0.53 CC(=O)CC(=O)NC(C)C 1458a_100000070787_100000183996 [0,0,0,0,0,2|1,0,0]=3 1349 B9R0.53 CC(=O)CC(=O)OC(C)C 1458a_100000070787_100011215430 [0,0,0,0,0,2|1,0,0]=3 1350 B9R0.53 CC(=O)NC(=O)CN(C)C 269982a_100102631434_100000183797 [0,0,0,0,0,2|2,0,0]=4 1351 B9R0.53 CC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000210624 [0,0,0,0,0,2|2,0,0]=4 1352 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100000210554_100000187820 [0,0,0,0,0,2|1,0,0]=3 1353 B9R0.53 CC(C)CC(=O)CC(=O)N 1458a_100134613110_100000210624 [0,0,0,0,0,2|1,0,0]=3 1354 B9R0.53 CC(C)CC(=O)CC(=O)[O-] 1458a_100000210554_100020667443 [0,0,0,0,0,2|0,0,1]=3 1355 B9R0.53 CC(C)CC(=O)CC(C)O 1458a_100000210554_100011218427 [0,0,0,0,0,2|1,0,1]=4 1356 B9R0.53 CC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000210624 [0,0,0,0,0,2|1,0,1]=4 1357 B9R0.53 CC(C)CC(=O)C[N+](=O)[O-] 1458a_100000210554_100000761209 [0,0,0,0,0,2|1,0,1]=4 1358 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,0,2|2,0,0]=4 1359 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 1626a_100138425928_100000137448 [0,0,0,0,0,2|2,0,0]=4 1360 B9R0.53 CC(C)NC(=O)C=C(Cl)Cl 240690a_100138425928_100000137448 [0,0,0,0,0,2|2,0,0]=4 1361 B9R0.53 CC(C)NC(=O)CC(=O)N 240690a_100138425928_100134613110 [0,0,0,0,0,2|1,0,0]=3 1362 B9R0.53 CC(C)NC(=O)CC(=O)N 527a_100138425928_100134613110 [0,0,0,0,0,2|1,0,0]=3 1363 B9R0.53 CC(C)NC(=O)C[C@@H](C)O 240690a_100138425928_100011933948 [0,0,0,0,0,2|1,0,1]=4 1364 B9R0.53 CC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218427 [0,0,0,0,0,2|2,0,0]=4 1365 B9R0.53 CN(C)CC(=O)CC(=O)N 1458a_100000750896_100000187820 [0,0,0,0,0,2|2,0,0]=4 1366 B9R0.53 CN(C)CC(=O)CC(=O)[O-] 1458a_100000750896_100020667443 [0,0,0,0,0,2|1,0,1]=4 1367 B9R0.53 CN(C)CC(=O)NC(=O)N 2230a_100102631434_100000182717 [0,0,0,0,0,2|2,0,0]=4 1368 B9R0.53 CN(C)CC(=O)NC(=O)N 269982a_100102631434_100000182717 [0,0,0,0,0,2|2,0,0]=4 1369 B9R0.53 C[C@@H](O)CC(=O)CC(=O)N 1458a_100011933948_100000187820 [0,0,0,0,0,2|2,0,0]=4 1370 B9R0.53 C[C@@H](O)CC(=O)CC(=O)[O-] 1458a_100011933948_100020667443 [0,0,0,0,0,2|1,0,1]=4 1371 B9R0.53 C[S+](C)CC(=O)CC(=O)N 1458a_200159257847_100000187820 [0,0,0,0,0,2|2,0,0]=4 1372 B9R0.53 C[S+](C)CC(=O)CC(=O)[O-] 1458a_200159257847_100020667443 [0,0,0,0,0,2|1,0,1]=4