0 B9R0.63 C#CC(C)(CC)NC(=O)C 11a_100000054623_100015343762 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.63 C#CC(C)(CC)NC(=O)C 1626a_100000054623_100015343762 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.63 C#CC(C)(CC)NC(=O)C 240690a_100000054623_100015343762 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.63 CC(=O)NC(C)(CO)CO 240690a_100000764395_100015343762 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.63 CC(=O)NC(C)(CO)CO 527a_100000764395_100103153847 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.63 CCC(C)(C#N)NC(=O)C 11a_100000741185_100015343762 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.63 CCC(C)(C#N)NC(=O)C 1626a_100000741185_100015343762 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.63 CCC(C)(C#N)NC(=O)C 240690a_100000741185_100015343762 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.63 CCC(C)(C#N)NC(=O)C 527a_100000741185_100103153847 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.63 CCC(C)(CC)OC(C)C 7a_100000755174_100000210206 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.63 CCC(C)(CC)SC(C)C 62a_100000210206_100009817345 [0,0,0,0,0,0|2,1,1]=4 11 B9R0.63 CCC(C)(CC)SC(C)C 62a_100009817345_100000210206 [0,0,0,0,0,0|2,1,1]=4 12 B9R0.63 CCC(C)(CO)NC(=O)C 240690a_100000747662_100015343762 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.63 CCC(C)(CO)NC(=O)C 527a_100000747662_100103153847 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.16 CCC(CC)CC(=O)C 1458a_100000070787_100011215472 [1,0,0,0,0,0|2,0,0]=3 15 B8R0.16 CCC(CC)NC(=O)C 11a_100000199018_100015343762 [1,0,0,0,0,0|2,0,0]=3 16 B8R0.16 CCC(CC)NC(=O)C 1626a_100000199018_100015343762 [1,0,0,0,0,0|2,0,0]=3 17 B8R0.16 CCC(CC)NC(=O)C 240690a_100000199018_100015343762 [1,0,0,0,0,0|2,0,0]=3 18 B8R0.16 CCC(CC)NC(=O)C 527a_100000199018_100103153847 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.16 CCC(CC)OC(C)C 7a_100000688536_100000210206 [1,0,0,0,0,0|2,0,1]=4 20 B8R0.16 CCN(CC)CC(=O)C 1458a_100000758533_200000210301 [1,0,0,0,0,0|3,0,0]=4 21 B8R0.16 CCN(CC)CC(=O)N 2230a_100000724800_100000747473 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.16 CCN(CC)CC(=O)N 269956a_100000042499_100000187820 [1,0,0,0,0,0|2,0,0]=3 23 B8R0.16 CCN(CC)CC(=O)N 269982a_100000724800_100000187820 [1,0,0,0,0,0|2,0,0]=3 24 B8R0.16 CCN(CC)CC(=O)O 269956a_100000746405_100000210202 [1,0,0,0,0,0|3,0,0]=4 25 B8R0.16 CCN(CC)CC(=O)[13CH3] 1458a_100000758533_200025704644 [1,0,0,0,0,0|3,0,0]=4 26 B8R0.16 CCN(CC)CC(=O)[O-] 269956a_100000042499_100020667443 [1,0,0,0,0,0|3,0,0]=4 27 B8R0.16 CCN(CC)CC(=O)[O-] 269982a_100000724800_100020667443 [1,0,0,0,0,0|3,0,0]=4 28 B8R0.16 CC[C@@H](CO)NC(=O)C 240690a_100000709445_100015343762 [1,0,0,0,0,0|3,0,0]=4 29 B8R0.16 CC[C@@H](CO)NC(=O)C 527a_100000709445_100103153847 [1,0,0,0,0,0|3,0,0]=4 30 B8R0.16 CC[C@H](CC(=O)O)NC 269956a_100016995926_200000210301 [1,0,0,0,0,0|3,0,0]=4 31 B8R0.16 CC[C@H](CC(=O)O)N[13CH3] 269956a_100016995926_200025704644 [1,0,0,0,0,0|3,0,0]=4 32 B8R0.31 C=CCC(C)(CC)OC 7a_200011216962_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B8R0.31 C=CCC(C)(CC)O[13CH3] 7a_200011216962_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B8R0.31 CCC(C)(CC)OCF 7a_100000755174_100015361967 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.31 CCC(C)(CC)SCF 62a_100009817345_100015361967 [1,0,0,0,0,0|1,1,1]=4 36 B8R0.31 CCC(C)(CC)SCF 62a_100015361967_100009817345 [1,0,0,0,0,0|1,1,1]=4 37 B8R0.31 CCOC(C)(CC)CC 7a_100000755174_100000210202 [1,0,0,0,0,0|1,0,1]=3 38 B8R0.31 CCSC(C)(CC)CC 62a_100000210202_100009817345 [1,0,0,0,0,0|1,1,1]=4 39 B8R0.31 CCSC(C)(CC)CC 62a_100009817345_100000210202 [1,0,0,0,0,0|1,1,1]=4 40 B8R0.34 CC(=O)CC(C)(C)O[13CH3] 7a_100000210262_200025704644 [1,0,0,0,0,0|3,0,0]=4 41 B8R0.34 CC(=O)NC(C)(C)CO 240690a_100000210608_100015343762 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.34 CC(=O)NC(C)(C)CO 527a_100020618417_100103153847 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.34 CC(C)(CC(=O)N)N[13CH3] 2230a_100000763158_200025704644 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.34 CC(C)(CC(=O)O)N[13CH3] 269956a_100000755897_200025704644 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.34 CCC(C)(C)CC(=O)C 1458a_200000763500_200000210301 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.34 CCC(C)(C)CC(=O)[13CH3] 1458a_200000763500_200025704644 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.34 CCC(C)(C)NC(=O)C 11a_100000211385_100015343762 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.34 CCC(C)(C)NC(=O)C 1626a_100000211385_100015343762 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.34 CCC(C)(C)NC(=O)C 240690a_100000211385_100015343762 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.34 CCC(C)(C)NC(=O)C 527a_100000211385_100103153847 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.34 CCC(C)(C)OC(C)C 7a_100000210230_100000210206 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.34 CCC(C)(O)CC(=O)C 1458a_200011219800_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.34 CCC(C)(O)CC(=O)[13CH3] 1458a_200011219800_200025704644 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.34 CNC(C)(C)CC(=O)N 2230a_100000763158_200000210301 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.34 CNC(C)(C)CC(=O)O 269956a_100000755897_200000210301 [1,0,0,0,0,0|3,0,0]=4 56 B8R0.34 COC(C)(C)CC(=O)C 7a_100000210262_200000210301 [1,0,0,0,0,0|3,0,0]=4 57 B10R0.10 C#CC(CC)(CC)NC(=O)C 1626a_100102564785_100015343762 [0,1,0,0,0,0|2,0,1]=4 58 B10R0.10 C#CC(CC)(CC)NC(=O)C 240690a_100102564785_100015343762 [0,1,0,0,0,0|2,0,1]=4 59 B10R0.10 CCC(C#N)(CC)NC(=O)C 11a_100000746712_100015343762 [0,1,0,0,0,0|2,0,1]=4 60 B10R0.10 CCC(C#N)(CC)NC(=O)C 1626a_100000746712_100015343762 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.10 CCC(C#N)(CC)NC(=O)C 240690a_100000746712_100015343762 [0,1,0,0,0,0|2,0,1]=4 62 B10R0.10 CCC(CC)(CC)NC(=O)C 11a_100000760206_100015343762 [0,1,0,0,0,0|2,0,0]=3 63 B10R0.10 CCC(CC)(CC)NC(=O)C 1626a_100000760206_100015343762 [0,1,0,0,0,0|2,0,0]=3 64 B10R0.10 CCC(CC)(CC)NC(=O)C 240690a_100000760206_100015343762 [0,1,0,0,0,0|2,0,0]=3 65 B10R0.10 CCC(CC)(CC)NC(=O)C 527a_100000760206_100103153847 [0,1,0,0,0,0|2,0,0]=3 66 B10R0.10 CCC(CC)(CC)OC(C)C 7a_100000760225_100000210206 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.10 CCC(CO)(CO)NC(=O)C 240690a_100000211560_100015343762 [0,1,0,0,0,0|3,0,0]=4 68 B10R0.10 CCC(CO)(CO)NC(=O)C 527a_100000211560_100103153847 [0,1,0,0,0,0|3,0,0]=4 69 B10R0.102 CCCC(C)(CC)OC(C)C 7a_200011215934_100000210206 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.120 C=C(C)C(=O)C(C)(CC)CC 1458a_100000185857_100009817345 [0,1,0,0,0,0|3,0,0]=4 71 B10R0.134 C#CC(C)(CC)NC(=O)NC 273464a_100000054623_100102657272 [0,1,0,0,0,0|1,0,2]=4 72 B10R0.134 C#CC(C)(CC)NC(=O)NC 273464a_100102657272_100000054623 [0,1,0,0,0,0|1,0,2]=4 73 B10R0.134 C#CC(C)(CC)NC(=O)NC 512a_100000054623_100102657272 [0,1,0,0,0,0|1,0,2]=4 74 B10R0.134 C#CC(C)(CC)NC(=O)NC 512a_106832991638_100000054623 [0,1,0,0,0,0|1,0,2]=4 75 B10R0.134 C#C[C@@H](C)OC(C)(CC)CC 7a_100009815206_100009817345 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.134 C=CC(=O)NC(C)(CC)CO 240690a_100000747662_200121576911 [0,1,0,0,0,0|3,0,0]=4 77 B10R0.134 CCC(=O)NC(C)(CC)CO 240690a_100000747662_100000210414 [0,1,0,0,0,0|3,0,0]=4 78 B10R0.134 CCC(=O)NC(C)(CC)CO 527a_100000747662_100000210414 [0,1,0,0,0,0|3,0,0]=4 79 B10R0.134 CCC(C)(C#N)NC(=O)NC 273464a_100000741185_100102657272 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.134 CCC(C)(C#N)NC(=O)NC 273464a_100102657272_100000741185 [0,1,0,0,0,0|2,0,1]=4 81 B10R0.134 CCC(C)(C#N)NC(=O)NC 512a_100000741185_100102657272 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.134 CCC(C)(C#N)NC(=O)NC 512a_106832991638_100000741185 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.134 CCC(C)(CC)OC(C)C#N 7a_100000755174_100000703298 [0,1,0,0,0,0|1,0,2]=4 84 B10R0.134 CCC(C)(CC)OC(C)CF 7a_100016041109_100009817345 [0,1,0,0,0,0|2,0,1]=4 85 B10R0.134 CCC(C)(CC)OC(C)CO 7a_100000755174_100012180447 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.134 CCC(C)(CO)NC(=O)CO 240690a_100000747662_100000210174 [0,1,0,0,0,0|3,0,0]=4 87 B10R0.134 CCC(C)(CO)NC(=O)CO 527a_100000747662_100000210174 [0,1,0,0,0,0|3,0,0]=4 88 B10R0.134 CCC(C)(CO)NC(=O)NC 2708a_100102657272_100000747662 [0,1,0,0,0,0|2,0,0]=3 89 B10R0.134 CCC(C)(CO)NC(=O)NC 273464a_100000747662_100102657272 [0,1,0,0,0,0|2,0,0]=3 90 B10R0.134 CCC(C)(CO)NC(=O)NC 273464a_100102657272_100000747662 [0,1,0,0,0,0|2,0,0]=3 91 B10R0.134 CCC(C)(CO)NC(=O)NC 512a_100000747662_100102657272 [0,1,0,0,0,0|2,0,0]=3 92 B10R0.134 CCC(C)(CO)NC(=O)NC 512a_106832991638_100000747662 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.134 CCC(C)OC(C)(CC)CC 7a_100000210228_100009817345 [0,1,0,0,0,0|2,0,1]=4 94 B10R0.134 CCC(C)OC(C)(CC)CC 7a_100000755174_100000758301 [0,1,0,0,0,0|2,0,1]=4 95 B10R0.134 CNC(=O)NC(C)(CO)CO 2708a_100102657272_100000764395 [0,1,0,0,0,0|3,0,0]=4 96 B10R0.134 CNC(=O)NC(C)(CO)CO 273464a_100000764395_100102657272 [0,1,0,0,0,0|3,0,0]=4 97 B10R0.134 CNC(=O)NC(C)(CO)CO 273464a_100102657272_100000764395 [0,1,0,0,0,0|3,0,0]=4 98 B10R0.147 CCC(C)(CC)OC(C)(C)C 7a_100015890283_100009817345 [0,1,0,0,0,0|2,0,1]=4 99 B10R0.147 CCC(C)(CC)OC(F)(F)F 7a_100000755174_200000243211 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.227 CC(=O)NC1(CCC1)CO 240690a_100016993734_100015343762 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.227 CC(=O)NC1(CCC1)CO 527a_100016993734_100103153847 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.227 CCC1(COC1)CC(=O)C 1458a_100000070787_200009907690 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.227 CNC1(COC1)CC(=O)N 2230a_100010899716_200000210301 [0,0,0,1,0,0|3,0,0]=4 104 B10R1.227 [13CH3]NC1(COC1)CC(=O)N 2230a_100010899716_200025704644 [0,0,0,1,0,0|3,0,0]=4 105 B10R1.370 CC(=O)NC1(CCOC1)C 11a_100000693475_100015343762 [0,0,0,1,0,0|3,0,0]=4 106 B10R1.370 CC(=O)NC1(CCOC1)C 1626a_100000693475_100015343762 [0,0,0,1,0,0|3,0,0]=4 107 B10R1.370 CC(=O)NC1(CCOC1)C 240690a_100000693475_100015343762 [0,0,0,1,0,0|3,0,0]=4 108 B10R1.370 CC(=O)NC1(CCOC1)C 527a_100000693475_100103153847 [0,0,0,1,0,0|3,0,0]=4 109 B10R1.370 CC(C)OC1(CCCC1)C 34a_100000751722_100000210206 [0,0,0,1,0,0|2,0,1]=4 110 B10R1.370 CC(C)OC1(CCCC1)C 7a_100000751722_100000210206 [0,0,0,1,0,0|2,0,1]=4 111 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,0,0,0,1,0|3,0,0]=4 112 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,0,0,0,1,0|3,0,0]=4 113 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000070787_100009817345 [0,0,0,0,1,0|1,0,0]=2 114 B8R0.36 CCC(C)(CC)C(=O)C 1458a_100000760562_200000210301 [0,0,0,0,1,0|1,0,0]=2 115 B8R0.36 CCC(C)(CC)C(=O)[13CH3] 1458a_100000760562_200025704644 [0,0,0,0,1,0|1,0,0]=2 116 B8R0.36 CCC(C)(CC)N(C)C 269982a_100102631434_100009817345 [0,0,0,0,1,0|3,0,0]=4 117 B8R0.36 CCC(C)(NC)C(=O)O 269956a_100025756313_200000210301 [0,0,0,0,1,0|2,0,0]=3 118 B8R0.36 CCC(C)(N[13CH3])C(=O)O 269956a_100025756313_200025704644 [0,0,0,0,1,0|2,0,0]=3 119 B10R0.121 C#CC(C)(CC)NCC(=O)N 2230a_100000054623_100000747473 [0,0,0,0,0,1|1,0,2]=4 120 B10R0.121 C#CC(C)(CC)OCC(=O)N 34a_100000686493_100000187820 [0,0,0,0,0,1|0,0,2]=3 121 B10R0.121 C#CC(C)(CC)OCC(=O)N 7a_100000686493_100000187820 [0,0,0,0,0,1|0,0,2]=3 122 B10R0.121 C#CC(C)(CC)OCC(=O)[O-] 34a_100000686493_100020667443 [0,0,0,0,0,1|1,0,2]=4 123 B10R0.121 C=C(C)COC(C)(CC)CC 7a_100000755174_100000748629 [0,0,0,0,0,1|2,0,0]=3 124 B10R0.121 C=C(C)CSC(C)(CC)CC 62a_100000748629_100009817345 [0,0,0,0,0,1|2,1,0]=4 125 B10R0.121 C=C(C)CSC(C)(CC)CC 62a_100009817345_100000211660 [0,0,0,0,0,1|2,1,0]=4 126 B10R0.121 C=C(F)COC(C)(CC)CC 7a_100000755174_100000042424 [0,0,0,0,0,1|2,0,0]=3 127 B10R0.121 C=C(F)CSC(C)(CC)CC 62a_100000042424_100009817345 [0,0,0,0,0,1|2,1,0]=4 128 B10R0.121 C=C(F)CSC(C)(CC)CC 62a_100009817345_100000042424 [0,0,0,0,0,1|2,1,0]=4 129 B10R0.121 CCC(C)(C#N)OCC(=O)N 7a_100000760259_100000187820 [0,0,0,0,0,1|1,0,1]=3 130 B10R0.121 CCC(C)(CC)NCC(=O)O 269956a_100016091260_100009817345 [0,0,0,0,0,1|2,0,0]=3 131 B10R0.121 CCC(C)(CC)OCC(=O)N 7a_100000755174_100000187820 [0,0,0,0,0,1|0,0,0]=1 132 B10R0.121 CCC(C)(CC)OCC(C)C 7a_100000755174_100000210760 [0,0,0,0,0,1|2,0,1]=4 133 B10R0.121 CCC(C)(CC)OCC(C)O 7a_100000755174_100011218427 [0,0,0,0,0,1|1,0,2]=4 134 B10R0.121 CCC(C)(CC)OCC(F)F 7a_100000755174_100011934356 [0,0,0,0,0,1|2,0,1]=4 135 B10R0.121 CCC(C)(CC)OC[C@@H](C)O 7a_100000755174_100009817552 [0,0,0,0,0,1|1,0,2]=4 136 B10R0.121 CCC(C)(CC)SCC(=O)N 62a_100000747473_100009817345 [0,0,0,0,0,1|0,1,0]=2 137 B10R0.121 CCC(C)(CC)SCC(=O)N 62a_100009817345_100000747473 [0,0,0,0,0,1|0,1,0]=2 138 B10R0.121 CCC(C)(CC)SCC(=O)[O-] 62a_100009817345_100020667443 [0,0,0,0,0,1|1,1,0]=3 139 B10R0.121 CCC(C)(CC)SCC(=O)[O-] 62a_100020667443_100009817345 [0,0,0,0,0,1|1,1,0]=3 140 B10R0.121 CCC(C)(CC)SC[N+](=O)[O-] 62a_100009817345_100000761209 [0,0,0,0,0,1|2,1,0]=4 141 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_100009818208_200025704644 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.2 CC(=O)OC(C)S[13CH3] 62a_200025704644_100009818208 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.2 CCC(C)CC(=O)C 1458a_100000070787_100000748023 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.2 CCC(C)CC(=O)C 1458a_100000708755_200000210301 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.2 CCC(C)CC(=O)[13CH3] 1458a_100000708755_200025704644 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.2 CCC(C)NC(=O)C 11a_100000209981_100015343762 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.2 CCC(C)NC(=O)C 1626a_100000209981_100015343762 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.2 CCC(C)NC(=O)C 240690a_100000209981_100015343762 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.2 CCC(C)NC(=O)C 527a_100000209981_100103153847 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.2 CCN(C)CC(=O)N 2230a_100000225621_100000747473 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.2 CCN(C)CC(=O)N 2230a_100000739694_100000210202 [2,0,0,0,0,0|2,0,0]=4 152 B7R0.2 CCN(C)CC(=O)N 269982a_100000225621_100000187820 [2,0,0,0,0,0|2,0,0]=4 153 B7R0.2 CC[C@H](C)CC(=O)C 1458a_100000070787_100009816398 [2,0,0,0,0,0|2,0,0]=4 154 B7R0.2 CSC(C)OC(=O)C 62a_100009818208_200000210301 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.2 CSC(C)OC(=O)C 62a_200000210301_100009818208 [2,0,0,0,0,0|2,0,0]=4 156 B7R0.12 CCC(CC)OCF 7a_100000688536_100015361967 [2,0,0,0,0,0|1,0,1]=4 157 B7R0.12 CCN(CC)CC=O 2230a_100000724800_200015260668 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.12 CCN(CC)CC=O 269956a_100000042499_200015260668 [2,0,0,0,0,0|2,0,0]=4 159 B7R0.12 CCN(CC)CC=O 269982a_100000724800_200015260668 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.12 CCOC(CC)CC 7a_100000688536_100000210202 [2,0,0,0,0,0|1,0,1]=4 161 B7R0.11 CCC(C)(C)OCF 7a_100000210230_100015361967 [2,0,0,0,0,0|1,0,1]=4 162 B7R0.11 CCOC(C)(C)CC 7a_100000210230_100000210202 [2,0,0,0,0,0|1,0,1]=4 163 B7R0.18 CCC(C)(CC)NC 7a_106832991635_100009817345 [2,0,0,0,0,0|1,0,1]=4 164 B7R0.18 CCC(C)(CC)OC 7a_100000755174_200000210301 [2,0,0,0,0,0|0,0,1]=3 165 B7R0.18 CCC(C)(CC)O[13CH3] 7a_100000755174_200025704644 [2,0,0,0,0,0|0,0,1]=3 166 B7R0.18 CCC(C)(CC)SC 62a_100009817345_200000210301 [2,0,0,0,0,0|0,1,1]=4 167 B7R0.18 CCC(C)(CC)SC 62a_200000210301_100009817345 [2,0,0,0,0,0|0,1,1]=4 168 B7R0.18 CCC(C)(CC)S[13CH3] 62a_100009817345_200025704644 [2,0,0,0,0,0|0,1,1]=4 169 B7R0.18 CCC(C)(CC)S[13CH3] 62a_200025704644_100009817345 [2,0,0,0,0,0|0,1,1]=4 170 B7R0.9 CC(=O)CC(C)(C)C 1458a_100000211214_200000210301 [2,0,0,0,0,0|2,0,0]=4 171 B7R0.9 CC(=O)NC(C)(C)C 11a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 172 B7R0.9 CC(=O)NC(C)(C)C 1626a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.9 CC(=O)NC(C)(C)C 240690a_100000715429_100015343762 [2,0,0,0,0,0|2,0,0]=4 174 B7R0.9 CC(=O)NC(C)(C)C 527a_100000715429_100103153847 [2,0,0,0,0,0|2,0,0]=4 175 B7R0.9 CC(C)(C)CC(=O)[13CH3] 1458a_100000211214_200025704644 [2,0,0,0,0,0|2,0,0]=4 176 B9R0.14 CCC(COC)NC(=O)C 11a_100000757820_100015343762 [1,1,0,0,0,0|2,0,0]=4 177 B9R0.14 CCC(COC)NC(=O)C 1626a_100000757820_100015343762 [1,1,0,0,0,0|2,0,0]=4 178 B9R0.14 CCC(COC)NC(=O)C 240690a_100000757820_100015343762 [1,1,0,0,0,0|2,0,0]=4 179 B9R0.14 CCC(COC)NC(=O)C 527a_100000757820_100103153847 [1,1,0,0,0,0|2,0,0]=4 180 B9R0.14 CCCC(CC)NC(=O)C 11a_100000747048_100015343762 [1,1,0,0,0,0|2,0,0]=4 181 B9R0.14 CCCC(CC)NC(=O)C 1626a_100000747048_100015343762 [1,1,0,0,0,0|2,0,0]=4 182 B9R0.14 CCCC(CC)NC(=O)C 240690a_100000747048_100015343762 [1,1,0,0,0,0|2,0,0]=4 183 B9R0.14 CCCC(CC)NC(=O)C 527a_100000747048_100103153847 [1,1,0,0,0,0|2,0,0]=4 184 B9R0.14 CCCN(CC)CC(=O)N 2230a_100000226822_100000747473 [1,1,0,0,0,0|2,0,0]=4 185 B9R0.14 CCCN(CC)CC(=O)N 269982a_100000226822_100000187820 [1,1,0,0,0,0|2,0,0]=4 186 B9R0.14 CCN(CCO)CC(=O)N 2230a_100000210973_100000747473 [1,1,0,0,0,0|2,0,0]=4 187 B9R0.14 CCN(CCO)CC(=O)N 269982a_100000210973_100000187820 [1,1,0,0,0,0|2,0,0]=4 188 B9R0.14 CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210202 [1,1,0,0,0,0|2,0,0]=4 189 B9R0.26 C#CC(=O)CC(CC)CC 1458a_100000211873_100011215472 [1,1,0,0,0,0|2,0,0]=4 190 B9R0.26 C=CC(=O)CC(CC)CC 1458a_100000185746_100011215472 [1,1,0,0,0,0|2,0,0]=4 191 B9R0.26 C=CC(=O)NC(CC)CC 1626a_100000199018_100000185746 [1,1,0,0,0,0|2,0,0]=4 192 B9R0.26 C=CC(=O)NC(CC)CC 240690a_100000199018_200121576911 [1,1,0,0,0,0|2,0,0]=4 193 B9R0.26 CCC(=O)CC(CC)CC 1458a_100000210414_100011215472 [1,1,0,0,0,0|2,0,0]=4 194 B9R0.26 CCC(=O)NC(CC)CC 11a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.26 CCC(=O)NC(CC)CC 1626a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 196 B9R0.26 CCC(=O)NC(CC)CC 240690a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 197 B9R0.26 CCC(=O)NC(CC)CC 527a_100000199018_100000210414 [1,1,0,0,0,0|2,0,0]=4 198 B9R0.26 CCC(CC)CC(=O)CO 1458a_100000210174_100011215472 [1,1,0,0,0,0|2,0,0]=4 199 B9R0.26 CCC(CC)NC(=O)CO 240690a_100000199018_100000210174 [1,1,0,0,0,0|2,0,0]=4 200 B9R0.26 CCC(CC)NC(=O)CO 527a_100000199018_100000210174 [1,1,0,0,0,0|2,0,0]=4 201 B9R0.26 CCC(CC)NC(=O)NC 2708a_100000199018_106832991635 [1,1,0,0,0,0|1,0,0]=3 202 B9R0.26 CCC(CC)NC(=O)NC 2708a_100102657272_100000199018 [1,1,0,0,0,0|1,0,0]=3 203 B9R0.26 CCC(CC)NC(=O)NC 273464a_100000199018_100102657272 [1,1,0,0,0,0|1,0,0]=3 204 B9R0.26 CCC(CC)NC(=O)NC 273464a_100102657272_100000199018 [1,1,0,0,0,0|1,0,0]=3 205 B9R0.26 CCC(CC)NC(=O)NC 512a_100000199018_100102657272 [1,1,0,0,0,0|1,0,0]=3 206 B9R0.26 CCC(CC)NC(=O)NC 512a_106832991638_100000199018 [1,1,0,0,0,0|1,0,0]=3 207 B9R0.26 CCN(CC)CC(=O)NC 11a_106832991635_100000758533 [1,1,0,0,0,0|2,0,0]=4 208 B9R0.26 CCN(CC)CC(=O)NC 1626a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 209 B9R0.26 CCN(CC)CC(=O)NC 2230a_100000724800_100000183359 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.26 CCN(CC)CC(=O)NC 240690a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 211 B9R0.26 CCN(CC)CC(=O)NC 269956a_100000042499_100000183359 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.26 CCN(CC)CC(=O)NC 269982a_100000724800_100000183359 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.26 CCN(CC)CC(=O)NC 527a_100102657272_100000758533 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.26 CC[C@@H](CO)NC(=O)NC 2708a_100102657272_100000709445 [1,1,0,0,0,0|2,0,0]=4 215 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100000709445_100102657272 [1,1,0,0,0,0|2,0,0]=4 216 B9R0.26 CC[C@@H](CO)NC(=O)NC 273464a_100102657272_100000709445 [1,1,0,0,0,0|2,0,0]=4 217 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_100000709445_100102657272 [1,1,0,0,0,0|2,0,0]=4 218 B9R0.26 CC[C@@H](CO)NC(=O)NC 512a_106832991638_100000709445 [1,1,0,0,0,0|2,0,0]=4 219 B9R0.39 CCC(NC(=O)C)C(C)C 11a_100000745074_100015343762 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.39 CCC(NC(=O)C)C(C)C 1626a_100000745074_100015343762 [1,1,0,0,0,0|2,0,0]=4 221 B9R0.39 CCC(NC(=O)C)C(C)C 240690a_100000745074_100015343762 [1,1,0,0,0,0|2,0,0]=4 222 B9R0.39 CCC(NC(=O)C)C(C)C 527a_100000745074_100103153847 [1,1,0,0,0,0|2,0,0]=4 223 B9R0.39 CCC(NC(=O)N)C(=O)C 1458a_100000203762_200000210301 [1,1,0,0,0,0|1,0,1]=4 224 B9R0.39 CCC(NC(=O)N)C(=O)[13CH3] 1458a_100000203762_200025704644 [1,1,0,0,0,0|1,0,1]=4 225 B9R0.39 CCN(CC(=O)N)C(C)C 2230a_100000223864_100000747473 [1,1,0,0,0,0|2,0,0]=4 226 B9R0.39 CCN(CC(=O)N)C(C)C 269982a_100000223864_100000187820 [1,1,0,0,0,0|2,0,0]=4 227 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 11a_100161114882_100015343762 [1,1,0,0,0,0|2,0,0]=4 228 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 1626a_100161114882_100015343762 [1,1,0,0,0,0|2,0,0]=4 229 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 240690a_100161114882_100015343762 [1,1,0,0,0,0|2,0,0]=4 230 B9R0.39 CC[C@H](NC(=O)C)[C@@H](C)O 527a_100161114882_100103153847 [1,1,0,0,0,0|2,0,0]=4 231 B9R0.41 CCC(CC)N(C)C(=O)C 11a_100000737045_100015343762 [1,1,0,0,0,0|2,0,0]=4 232 B9R0.41 CCC(CC)N(C)C(=O)C 1626a_100000737045_100015343762 [1,1,0,0,0,0|2,0,0]=4 233 B9R0.41 CCC(CC)N(C)C(=O)C 240690a_100000737045_100015343762 [1,1,0,0,0,0|2,0,0]=4 234 B9R0.41 CCC(CC)N(C)C(=O)C 527a_100000737045_100103153847 [1,1,0,0,0,0|2,0,0]=4 235 B9R0.41 CCN(CC)C(=O)C(=O)N 240690a_100000724800_100011215815 [1,1,0,0,0,0|2,0,0]=4 236 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100000724800_100000702099 [1,1,0,0,0,0|2,0,0]=4 237 B9R0.41 CCN(CC)C(C)C(=O)N 2230a_100020603310_100000210202 [1,1,0,0,0,0|2,0,0]=4 238 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100000724800_100000184083 [1,1,0,0,0,0|2,0,0]=4 239 B9R0.41 CCN(CC)C(C)C(=O)N 269982a_100020603310_100000204670 [1,1,0,0,0,0|2,0,0]=4 240 B9R0.41 CCN(CC)C(F)C(=O)N 2230a_100000724800_100009813875 [1,1,0,0,0,0|2,0,0]=4 241 B9R0.41 CCN(CC)C(F)C(=O)N 269982a_100000724800_100009813875 [1,1,0,0,0,0|2,0,0]=4 242 B9R0.59 C=CCC(C)(CC)OCC 7a_200011216962_100000210202 [1,1,0,0,0,0|2,0,0]=4 243 B9R0.59 CCCC(C)(CC)OCC 7a_200011215934_100000210202 [1,1,0,0,0,0|1,0,1]=4 244 B9R0.59 CCCC(C)(CC)OCF 7a_200011215934_100015361967 [1,1,0,0,0,0|1,0,1]=4 245 B9R0.62 C=CCC(CC)(CC)OC 7a_200011218178_200000210301 [1,1,0,0,0,0|2,0,0]=4 246 B9R0.62 C=CCC(CC)(CC)O[13CH3] 7a_200011218178_200025704644 [1,1,0,0,0,0|2,0,0]=4 247 B9R0.62 CCC(CC)(CC)OCF 7a_100000760225_100015361967 [1,1,0,0,0,0|1,0,1]=4 248 B9R0.62 CCOC(CC)(CC)CC 7a_100000760225_100000210202 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.67 C#CC(C)(CC)OCC=O 34a_100000686493_200009817547 [1,1,0,0,0,0|0,0,2]=4 250 B9R0.67 C#CC(C)(CC)OCC=O 7a_100000686493_200015260668 [1,1,0,0,0,0|0,0,2]=4 251 B9R0.67 C#CCOC(C)(CC)CC 7a_100000755174_100000038162 [1,1,0,0,0,0|1,0,1]=4 252 B9R0.67 C=CCOC(C)(CC)CC 7a_100000755174_100015514636 [1,1,0,0,0,0|1,0,0]=3 253 B9R0.67 C=CCSC(C)(CC)CC 62a_100000210623_100009817345 [1,1,0,0,0,0|1,1,0]=4 254 B9R0.67 C=CCSC(C)(CC)CC 62a_100009817345_100000210623 [1,1,0,0,0,0|1,1,0]=4 255 B9R0.67 CCC(C)(C#N)OCC=O 7a_100000760259_200015260668 [1,1,0,0,0,0|1,0,1]=4 256 B9R0.67 CCC(C)(CC)OCC#N 7a_100000755174_100011215382 [1,1,0,0,0,0|0,0,2]=4 257 B9R0.67 CCC(C)(CC)OCC=O 7a_100000755174_200015260668 [1,1,0,0,0,0|0,0,0]=2 258 B9R0.67 CCC(C)(CC)OCCF 7a_100000755174_100011217306 [1,1,0,0,0,0|1,0,1]=4 259 B9R0.67 CCC(C)(CC)OCCO 7a_100000755174_100000211926 [1,1,0,0,0,0|0,0,2]=4 260 B9R0.67 CCC(C)(CC)SCC=O 62a_100009817345_200015260668 [1,1,0,0,0,0|0,1,0]=3 261 B9R0.67 CCC(C)(CC)SCC=O 62a_200015260668_100009817345 [1,1,0,0,0,0|0,1,0]=3 262 B9R0.67 CCCOC(C)(CC)CC 7a_100000755174_100000210303 [1,1,0,0,0,0|1,0,1]=4 263 B9R0.69 C=CC(=O)C(C)(CC)CC 1458a_100000185746_100009817345 [1,1,0,0,0,0|2,0,0]=4 264 B9R0.11 CC(=O)NC(C)(C)C(C)C 11a_200160471154_100015343762 [1,1,0,0,0,0|2,0,0]=4 265 B9R0.11 CC(=O)NC(C)(C)C(C)C 1626a_200160471154_100015343762 [1,1,0,0,0,0|2,0,0]=4 266 B9R0.11 CC(=O)NC(C)(C)C(C)C 240690a_200160471154_100015343762 [1,1,0,0,0,0|2,0,0]=4 267 B9R0.11 CC(=O)NC(C)(C)C(C)C 527a_200160471154_100103153847 [1,1,0,0,0,0|2,0,0]=4 268 B9R0.11 CC(=O)OC(C)(C)C(=O)C 1458a_200000137501_200000210301 [1,1,0,0,0,0|1,0,1]=4 269 B9R0.11 CC(=O)OC(C)(C)C(=O)[13CH3] 1458a_200000137501_200025704644 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.22 C=CC(=O)NC(C)(C)CC 1626a_100000211385_100000185746 [1,1,0,0,0,0|2,0,0]=4 271 B9R0.22 C=CC(=O)NC(C)(C)CC 240690a_100000211385_200121576911 [1,1,0,0,0,0|2,0,0]=4 272 B9R0.22 CCC(=O)CC(C)(C)CC 1458a_200000763500_100000210202 [1,1,0,0,0,0|2,0,0]=4 273 B9R0.22 CCC(=O)NC(C)(C)CC 11a_100000211385_100000210414 [1,1,0,0,0,0|2,0,0]=4 274 B9R0.22 CCC(=O)NC(C)(C)CC 1626a_100000211385_100000210414 [1,1,0,0,0,0|2,0,0]=4 275 B9R0.22 CCC(=O)NC(C)(C)CC 240690a_100000211385_100000210414 [1,1,0,0,0,0|2,0,0]=4 276 B9R0.22 CCC(=O)NC(C)(C)CC 527a_100000211385_100000210414 [1,1,0,0,0,0|2,0,0]=4 277 B9R0.22 CCC(C)(C)CC(=O)CF 1458a_200000763500_100015361967 [1,1,0,0,0,0|2,0,0]=4 278 B9R0.22 CCC(C)(C)CC(=O)NC 11a_106832991635_200000763500 [1,1,0,0,0,0|1,0,0]=3 279 B9R0.22 CCC(C)(C)CC(=O)NC 1626a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 280 B9R0.22 CCC(C)(C)CC(=O)NC 240690a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 281 B9R0.22 CCC(C)(C)CC(=O)NC 527a_100102657272_200000763500 [1,1,0,0,0,0|1,0,0]=3 282 B9R0.22 CCC(C)(C)NC(=O)CO 240690a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 283 B9R0.22 CCC(C)(C)NC(=O)CO 527a_100000211385_100000210174 [1,1,0,0,0,0|2,0,0]=4 284 B9R0.22 CCC(C)(C)NC(=O)NC 2708a_100102657272_100000211385 [1,1,0,0,0,0|1,0,0]=3 285 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100000211385_100102657272 [1,1,0,0,0,0|1,0,0]=3 286 B9R0.22 CCC(C)(C)NC(=O)NC 273464a_100102657272_100000211385 [1,1,0,0,0,0|1,0,0]=3 287 B9R0.22 CCC(C)(C)NC(=O)NC 512a_100000211385_100102657272 [1,1,0,0,0,0|1,0,0]=3 288 B9R0.22 CCC(C)(C)NC(=O)NC 512a_106832991638_100000211385 [1,1,0,0,0,0|1,0,0]=3 289 B9R0.22 CCC(C)(O)CC(=O)NC 240690a_100102657272_200011219800 [1,1,0,0,0,0|2,0,0]=4 290 B9R0.22 CCC(C)(O)CC(=O)NC 527a_100102657272_200011219800 [1,1,0,0,0,0|2,0,0]=4 291 B9R0.22 CNC(=O)NC(C)(C)CO 2708a_100102657272_100000210608 [1,1,0,0,0,0|2,0,0]=4 292 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100000210608_100102657272 [1,1,0,0,0,0|2,0,0]=4 293 B9R0.22 CNC(=O)NC(C)(C)CO 273464a_100102657272_100000210608 [1,1,0,0,0,0|2,0,0]=4 294 B9R0.22 CNC(=O)NC(C)(C)CO 512a_100000210608_100102657272 [1,1,0,0,0,0|2,0,0]=4 295 B9R0.32 CCC(C)(C)N(C)C(=O)C 11a_200000755171_100015343762 [1,1,0,0,0,0|2,0,0]=4 296 B9R0.32 CCC(C)(C)N(C)C(=O)C 1626a_200000755171_100015343762 [1,1,0,0,0,0|2,0,0]=4 297 B9R0.32 CCC(C)(C)N(C)C(=O)C 240690a_200000755171_100015343762 [1,1,0,0,0,0|2,0,0]=4 298 B9R0.32 CCC(C)(C)N(C)C(=O)C 527a_200000755171_100103153847 [1,1,0,0,0,0|2,0,0]=4 299 B9R0.58 CC(=O)NC(C)(C)CCO 240690a_100000763138_100015343762 [1,1,0,0,0,0|2,0,0]=4 300 B9R0.58 CC(=O)NC(C)(C)CCO 527a_100000763138_100103153847 [1,1,0,0,0,0|2,0,0]=4 301 B9R0.58 CCNC(C)(C)CC(=O)N 2230a_100000763158_100000210202 [1,1,0,0,0,0|1,0,0]=3 302 B9R0.58 CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210202 [1,1,0,0,0,0|2,0,0]=4 303 B9R0.58 CCOC(C)(C)CC(=O)C 7a_100000210262_100000210202 [1,1,0,0,0,0|2,0,0]=4 304 B9R0.58 COCC(C)(C)NC(=O)C 11a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 305 B9R0.58 COCC(C)(C)NC(=O)C 1626a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 306 B9R0.58 COCC(C)(C)NC(=O)C 240690a_100000752728_100015343762 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.58 COCC(C)(C)NC(=O)C 527a_100000752728_100103153847 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.58 CSCC(C)(C)NC(=O)C 11a_100000759623_100015343762 [1,1,0,0,0,0|2,0,0]=4 309 B9R0.58 CSCC(C)(C)NC(=O)C 1626a_100000759623_100015343762 [1,1,0,0,0,0|2,0,0]=4 310 B9R0.58 CSCC(C)(C)NC(=O)C 240690a_100000759623_100015343762 [1,1,0,0,0,0|2,0,0]=4 311 B9R0.58 CSCC(C)(C)NC(=O)C 527a_100000759623_100103153847 [1,1,0,0,0,0|2,0,0]=4 312 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 2230a_100000729261_200025704644 [0,1,0,0,1,0|1,0,0]=3 313 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 34a_100000729261_200025704644 [0,1,0,0,1,0|1,0,0]=3 314 B9R0.76 CNC(C)(C(=O)N)C(C)C 2230a_100000729261_200000210301 [0,1,0,0,1,0|1,0,0]=3 315 B9R0.76 CNC(C)(C(=O)N)C(C)C 34a_100000729261_200000210301 [0,1,0,0,1,0|1,0,0]=3 316 B9R0.78 CCC(C#N)(CC)C(=O)C 1458a_100011499467_200000210301 [0,1,0,0,1,0|1,0,1]=4 317 B9R0.78 CCC(C#N)(CC)C(=O)[13CH3] 1458a_100011499467_200025704644 [0,1,0,0,1,0|1,0,1]=4 318 B9R0.78 CCC(CC)(CC)C(=O)C 1458a_100000070787_200010884430 [0,1,0,0,1,0|1,0,0]=3 319 B9R0.78 CCC(CC)(NC)C(=O)O 269956a_100000727939_200000210301 [0,1,0,0,1,0|1,0,0]=3 320 B9R0.78 CCC(CC)(N[13CH3])C(=O)O 269956a_100000727939_200025704644 [0,1,0,0,1,0|1,0,0]=3 321 B9R0.78 CCC(CO)(CO)C(=O)C 1458a_100000039496_200000210301 [0,1,0,0,1,0|2,0,0]=4 322 B9R0.78 CCC(CO)(CO)C(=O)[13CH3] 1458a_100000039496_200025704644 [0,1,0,0,1,0|2,0,0]=4 323 B11R0.27 C#CC(CC)(CC)NCC(=O)N 2230a_100102564785_100000747473 [0,1,0,0,0,1|1,0,1]=4 324 B11R0.27 C#CC(CC)(CC)OCC(=O)N 34a_100011215175_100000187820 [0,1,0,0,0,1|0,0,1]=3 325 B11R0.27 C#CC(CC)(CC)OCC(=O)N 7a_100011215175_100000187820 [0,1,0,0,0,1|0,0,1]=3 326 B11R0.27 C#CC(CC)(CC)OCC(=O)[O-] 34a_100011215175_100020667443 [0,1,0,0,0,1|1,0,1]=4 327 B11R0.27 C=C(C)COC(CC)(CC)CC 7a_100000760225_100000748629 [0,1,0,0,0,1|2,0,0]=4 328 B11R0.27 C=C(F)COC(CC)(CC)CC 7a_100000760225_100000042424 [0,1,0,0,0,1|2,0,0]=4 329 B11R0.27 CCC(C#N)(CC)NCC(=O)N 2230a_100000746712_100000747473 [0,1,0,0,0,1|1,0,1]=4 330 B11R0.27 CCC(CC)(CC)NCC(=O)N 2230a_100000760206_100000747473 [0,1,0,0,0,1|1,0,0]=3 331 B11R0.27 CCC(CC)(CC)NCC(=O)O 269956a_100016091260_200010884430 [0,1,0,0,0,1|2,0,0]=4 332 B11R0.27 CCC(CC)(CC)OCC(=O)N 7a_100000760225_100000187820 [0,1,0,0,0,1|0,0,0]=2 333 B11R0.27 CCC(CC)(CC)SCC(=O)N 62a_100000747473_200010884430 [0,1,0,0,0,1|0,1,0]=3 334 B11R0.27 CCC(CC)(CC)SCC(=O)N 62a_200010884430_100000747473 [0,1,0,0,0,1|0,1,0]=3 335 B11R0.27 CCC(CC)(CC)SCC(=O)[O-] 62a_100020667443_200010884430 [0,1,0,0,0,1|1,1,0]=4 336 B11R0.27 CCC(CC)(CC)SCC(=O)[O-] 62a_200010884430_100020667443 [0,1,0,0,0,1|1,1,0]=4 337 B11R0.185 C=C(C)COC(C)(CC)CCC 7a_200011215934_100000748629 [0,1,0,0,0,1|2,0,0]=4 338 B11R0.185 C=C(F)COC(C)(CC)CCC 7a_200011215934_100000042424 [0,1,0,0,0,1|2,0,0]=4 339 B11R0.185 C=CCC(C)(CC)OCC(=O)N 7a_200011216962_100000187820 [0,1,0,0,0,1|0,0,1]=3 340 B11R0.185 CCCC(C)(CC)NCC(=O)O 269956a_100016091260_200000040151 [0,1,0,0,0,1|2,0,0]=4 341 B11R0.185 CCCC(C)(CC)OCC(=O)N 7a_200011215934_100000187820 [0,1,0,0,0,1|0,0,0]=2 342 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_100000747473_200000040151 [0,1,0,0,0,1|0,1,0]=3 343 B11R0.185 CCCC(C)(CC)SCC(=O)N 62a_200000040151_100000747473 [0,1,0,0,0,1|0,1,0]=3 344 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_100020667443_200000040151 [0,1,0,0,0,1|1,1,0]=4 345 B11R0.185 CCCC(C)(CC)SCC(=O)[O-] 62a_200000040151_100020667443 [0,1,0,0,0,1|1,1,0]=4 346 B11R0.211 C#CC(C)(CC)OC(C)C(=O)N 34a_100000686493_100000702099 [0,1,0,0,0,1|0,0,2]=4 347 B11R0.211 C#CC(C)(CC)OC(C)C(=O)N 7a_100000686493_100000702099 [0,1,0,0,0,1|0,0,2]=4 348 B11R0.211 C#CC(C)(CC)OC(F)C(=O)N 34a_100000686493_100009813875 [0,1,0,0,0,1|0,0,2]=4 349 B11R0.211 C#CC(C)(CC)OC(F)C(=O)N 7a_100000686493_100009813875 [0,1,0,0,0,1|0,0,2]=4 350 B11R0.211 CCC(C)(C#N)OC(C)C(=O)N 7a_100000760259_100000702099 [0,1,0,0,0,1|1,0,1]=4 351 B11R0.211 CCC(C)(C#N)OC(F)C(=O)N 7a_100000760259_100009813875 [0,1,0,0,0,1|1,0,1]=4 352 B11R0.211 CCC(C)(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100009817345 [0,1,0,0,0,1|2,0,0]=4 353 B11R0.211 CCC(C)(CC)OC(C)C(=O)C 7a_100000755174_100000179758 [0,1,0,0,0,1|1,0,0]=3 354 B11R0.211 CCC(C)(CC)OC(C)C(=O)N 7a_100000755174_100000702099 [0,1,0,0,0,1|0,0,0]=2 355 B11R0.211 CCC(C)(CC)OC(F)C(=O)N 7a_100000755174_100009813875 [0,1,0,0,0,1|0,0,0]=2 356 B11R0.211 CCC(C)(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100009817345 [0,1,0,0,0,1|1,0,0]=3 357 B11R0.211 CCC(C)(CC)O[C@H](C)C(=O)N 7a_100000731257_100009817345 [0,1,0,0,0,1|0,0,0]=2 358 B11R0.211 CCC(C)(CC)SC(C)C(=O)C 62a_100009814033_100009817345 [0,1,0,0,0,1|1,1,0]=4 359 B11R0.211 CCC(C)(CC)SC(C)C(=O)C 62a_100009817345_100009814033 [0,1,0,0,0,1|1,1,0]=4 360 B11R0.211 CCC(C)(CC)SC(C)C(=O)N 62a_100000702099_100009817345 [0,1,0,0,0,1|0,1,0]=3 361 B11R0.211 CCC(C)(CC)SC(C)C(=O)N 62a_100009817345_100000702099 [0,1,0,0,0,1|0,1,0]=3 362 B11R0.211 CCC(C)(CC)SC(F)C(=O)N 62a_100009813875_100009817345 [0,1,0,0,0,1|0,1,0]=3 363 B11R0.211 CCC(C)(CC)SC(F)C(=O)N 62a_100009817345_100009813875 [0,1,0,0,0,1|0,1,0]=3 364 B11R0.211 CCC(C)(CC)SC(F)C(=O)[O-] 62a_100009817345_100020610796 [0,1,0,0,0,1|1,1,0]=4 365 B11R0.211 CCC(C)(CC)SC(F)C(=O)[O-] 62a_100020610796_100009817345 [0,1,0,0,0,1|1,1,0]=4 366 B11R0.211 CCC(C)(CO)NC(=O)C(=O)N 240690a_100000747662_100011215815 [0,1,0,0,0,1|2,0,0]=4 367 B11R0.264 C#CC(C)(CC)OCC(=O)NC 34a_100000686493_100000183359 [0,1,0,0,0,1|0,0,2]=4 368 B11R0.264 C#CC(C)(CC)OCC(=O)NC 7a_100000686493_100000183359 [0,1,0,0,0,1|0,0,2]=4 369 B11R0.264 CCC(=O)COC(C)(CC)CC 7a_100000755174_100000747405 [0,1,0,0,0,1|1,0,0]=3 370 B11R0.264 CCC(=O)CSC(C)(CC)CC 62a_100000747405_100009817345 [0,1,0,0,0,1|1,1,0]=4 371 B11R0.264 CCC(=O)CSC(C)(CC)CC 62a_100009817345_100000747405 [0,1,0,0,0,1|1,1,0]=4 372 B11R0.264 CCC(C)(C#N)OCC(=O)NC 7a_100000760259_100000183359 [0,1,0,0,0,1|1,0,1]=4 373 B11R0.264 CCC(C)(CC)OCC(=O)NC 7a_100000755174_100000183359 [0,1,0,0,0,1|0,0,0]=2 374 B11R0.264 CCC(C)(CC)OCC(=O)OC 7a_100000755174_100000747449 [0,1,0,0,0,1|1,0,0]=3 375 B11R0.264 CCC(C)(CC)SCC(=O)NC 62a_100000183359_100009817345 [0,1,0,0,0,1|0,1,0]=3 376 B11R0.264 CCC(C)(CC)SCC(=O)NC 62a_100009817345_100000183359 [0,1,0,0,0,1|0,1,0]=3 377 B11R0.264 CCC(C)(CC)SCC(=O)OC 62a_100000747449_100009817345 [0,1,0,0,0,1|1,1,0]=4 378 B11R0.264 CCC(C)(CC)SCC(=O)OC 62a_100009817345_100000747449 [0,1,0,0,0,1|1,1,0]=4 379 B11R0.365 CCC(C)(CC)SCS(=O)(=O)N 62a_100000741382_100009817345 [0,1,0,0,0,1|1,1,0]=4 380 B11R0.365 CCC(C)(CC)SCS(=O)(=O)N 62a_100009817345_100000741382 [0,1,0,0,0,1|1,1,0]=4 381 B11R0.366 CCC(C)(CC)C(=O)CC(=O)N 1458a_100000760562_100000187820 [0,1,0,0,0,1|1,0,0]=3 382 B11R0.366 CCC(C)(CC)C(=O)CC(=O)N 1458a_100134613110_100009817345 [0,1,0,0,0,1|1,0,0]=3 383 B11R0.366 CCC(C)(CC)C(=O)CC(=O)[O-] 1458a_100000760562_100020667443 [0,1,0,0,0,1|2,0,0]=4 384 B11R0.366 CCC(C)(CC)N(C)CC(=O)O 269956a_100000746989_100009817345 [0,1,0,0,0,1|2,0,0]=4 385 B11R0.371 C#CC(C)(OCC(=O)N)C(C)C 34a_200011216185_100000187820 [0,1,0,0,0,1|0,0,2]=4 386 B11R0.371 C#CC(C)(OCC(=O)N)C(C)C 7a_200011216185_100000187820 [0,1,0,0,0,1|0,0,2]=4 387 B11R0.254 C#CC(CC)(CC)NC(=O)NC 273464a_100102564785_100102657272 [0,2,0,0,0,0|1,0,1]=4 388 B11R0.254 C#CC(CC)(CC)NC(=O)NC 273464a_100102657272_100102564785 [0,2,0,0,0,0|1,0,1]=4 389 B11R0.254 C#CC(CC)(CC)NC(=O)NC 512a_100102564785_100102657272 [0,2,0,0,0,0|1,0,1]=4 390 B11R0.254 C#CC(CC)(CC)NC(=O)NC 512a_106832991638_100102564785 [0,2,0,0,0,0|1,0,1]=4 391 B11R0.254 C=CC(=O)NC(CC)(CC)CC 1626a_100000760206_100000185746 [0,2,0,0,0,0|2,0,0]=4 392 B11R0.254 C=CC(=O)NC(CC)(CC)CC 240690a_100000760206_200121576911 [0,2,0,0,0,0|2,0,0]=4 393 B11R0.254 CCC(=O)NC(CC)(CC)CC 11a_100000760206_100000210414 [0,2,0,0,0,0|2,0,0]=4 394 B11R0.254 CCC(=O)NC(CC)(CC)CC 1626a_100000760206_100000210414 [0,2,0,0,0,0|2,0,0]=4 395 B11R0.254 CCC(=O)NC(CC)(CC)CC 240690a_100000760206_100000210414 [0,2,0,0,0,0|2,0,0]=4 396 B11R0.254 CCC(=O)NC(CC)(CC)CC 527a_100000760206_100000210414 [0,2,0,0,0,0|2,0,0]=4 397 B11R0.254 CCC(C#N)(CC)NC(=O)NC 273464a_100000746712_100102657272 [0,2,0,0,0,0|1,0,1]=4 398 B11R0.254 CCC(C#N)(CC)NC(=O)NC 273464a_100102657272_100000746712 [0,2,0,0,0,0|1,0,1]=4 399 B11R0.254 CCC(C#N)(CC)NC(=O)NC 512a_100000746712_100102657272 [0,2,0,0,0,0|1,0,1]=4 400 B11R0.254 CCC(C#N)(CC)NC(=O)NC 512a_106832991638_100000746712 [0,2,0,0,0,0|1,0,1]=4 401 B11R0.254 CCC(CC)(CC)NC(=O)CO 240690a_100000760206_100000210174 [0,2,0,0,0,0|2,0,0]=4 402 B11R0.254 CCC(CC)(CC)NC(=O)CO 527a_100000760206_100000210174 [0,2,0,0,0,0|2,0,0]=4 403 B11R0.254 CCC(CC)(CC)NC(=O)NC 2708a_100102657272_100000760206 [0,2,0,0,0,0|1,0,0]=3 404 B11R0.254 CCC(CC)(CC)NC(=O)NC 273464a_100000760206_100102657272 [0,2,0,0,0,0|1,0,0]=3 405 B11R0.254 CCC(CC)(CC)NC(=O)NC 273464a_100102657272_100000760206 [0,2,0,0,0,0|1,0,0]=3 406 B11R0.254 CCC(CC)(CC)NC(=O)NC 512a_100000760206_100102657272 [0,2,0,0,0,0|1,0,0]=3 407 B11R0.254 CCC(CC)(CC)NC(=O)NC 512a_106832991638_100000760206 [0,2,0,0,0,0|1,0,0]=3 408 B11R0.254 CCC(CO)(CO)NC(=O)NC 2708a_100102657272_100000211560 [0,2,0,0,0,0|2,0,0]=4 409 B11R0.254 CCC(CO)(CO)NC(=O)NC 273464a_100000211560_100102657272 [0,2,0,0,0,0|2,0,0]=4 410 B11R0.254 CCC(CO)(CO)NC(=O)NC 273464a_100102657272_100000211560 [0,2,0,0,0,0|2,0,0]=4 411 B11R0.258 CCC(C)(CC)C(=O)C(=O)NC 1458a_100011218921_100009817345 [0,2,0,0,0,0|1,0,0]=3 412 B11R0.354 CCC(C)(CO)NC(=O)NNC 273464a_100000747662_100016993582 [0,2,0,0,0,0|2,0,0]=4 413 B11R0.354 CCC(C)(CO)NC(=O)NNC 512a_100000747662_100016993582 [0,2,0,0,0,0|2,0,0]=4 414 B11R0.354 CCC(C)(CO)NC(=O)NNC 512a_100016993582_100000747662 [0,2,0,0,0,0|2,0,0]=4 415 B11R0.354 CCNC(=O)NC(C)(CC)CO 2708a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 416 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100000747662_100015525214 [0,2,0,0,0,0|2,0,0]=4 417 B11R0.354 CCNC(=O)NC(C)(CC)CO 273464a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 418 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100000747662_100015525214 [0,2,0,0,0,0|2,0,0]=4 419 B11R0.354 CCNC(=O)NC(C)(CC)CO 512a_100015525214_100000747662 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.2 CCN1CCNC(=O)C1 2230a_100000184651_100000210202 [1,0,0,1,0,0|2,0,0]=4 421 B9R1.2 CNC1CCNC(=O)C1 2230a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.2 CNC1CCNC(=O)C1 34a_100016994916_200000210301 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.2 CO[C@@H]1CCNC(=O)C1 34a_100015189427_200000210301 [1,0,0,1,0,0|2,0,0]=4 424 B9R1.2 [13CH3]NC1CCNC(=O)C1 2230a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 425 B9R1.2 [13CH3]NC1CCNC(=O)C1 34a_100016994916_200025704644 [1,0,0,1,0,0|2,0,0]=4 426 B9R1.2 [13CH3]O[C@@H]1CCNC(=O)C1 34a_100015189427_200025704644 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.13 CC(=O)CC1CCCC1 1458a_100000070787_100000740388 [1,0,0,1,0,0|2,0,0]=4 428 B9R1.13 CC(=O)CC1CCCC1 1458a_100000210891_200000210301 [1,0,0,1,0,0|2,0,0]=4 429 B9R1.13 CC(=O)NC1CCCC1 11a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 430 B9R1.13 CC(=O)NC1CCCC1 1626a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 431 B9R1.13 CC(=O)NC1CCCC1 240690a_100000211070_100015343762 [1,0,0,1,0,0|2,0,0]=4 432 B9R1.13 CC(=O)NC1CCCC1 527a_100000211070_100103153847 [1,0,0,1,0,0|2,0,0]=4 433 B9R1.13 NC(=O)CN1CCCC1 2230a_100000188435_100000747473 [1,0,0,1,0,0|2,0,0]=4 434 B9R1.13 NC(=O)CN1CCCC1 269982a_100000188435_100000187820 [1,0,0,1,0,0|2,0,0]=4 435 B9R1.13 [13CH3]C(=O)CC1CCCC1 1458a_100000210891_200025704644 [1,0,0,1,0,0|2,0,0]=4 436 B9R1.67 CC1CCN1CC(=O)N 269982a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 437 B9R1.67 CC1CCN1CC(=O)N 34a_100000755817_100000187820 [1,0,0,1,0,0|2,0,0]=4 438 B9R1.128 CCC1(CC1)NC(=O)C 11a_100000732774_100015343762 [1,0,0,1,0,0|2,0,0]=4 439 B9R1.128 CCC1(CC1)NC(=O)C 1626a_100000732774_100015343762 [1,0,0,1,0,0|2,0,0]=4 440 B9R1.128 CCC1(CC1)NC(=O)C 240690a_100000732774_100015343762 [1,0,0,1,0,0|2,0,0]=4 441 B9R1.128 CCC1(CC1)NC(=O)C 527a_100000732774_100103153847 [1,0,0,1,0,0|2,0,0]=4 442 B9R1.134 CC1(CCCC1)OCF 34a_100000751722_100015361967 [1,0,0,1,0,0|1,0,1]=4 443 B9R1.134 CC1(CCCC1)OCF 7a_100000751722_100015361967 [1,0,0,1,0,0|1,0,1]=4 444 B9R1.134 CCOC1(CCCC1)C 34a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 445 B9R1.134 CCOC1(CCCC1)C 7a_100000751722_100000210202 [1,0,0,1,0,0|1,0,1]=4 446 B9R1.171 CC(=O)CC1(CCC1)C 1458a_100000070787_100000726658 [1,0,0,1,0,0|2,0,0]=4 447 B9R1.171 CC(=O)NC1(CCC1)C 11a_100000692455_100015343762 [1,0,0,1,0,0|2,0,0]=4 448 B9R1.171 CC(=O)NC1(CCC1)C 1626a_100000692455_100015343762 [1,0,0,1,0,0|2,0,0]=4 449 B9R1.171 CC(=O)NC1(CCC1)C 240690a_100000692455_100015343762 [1,0,0,1,0,0|2,0,0]=4 450 B9R1.171 CC(=O)NC1(CCC1)C 527a_100000692455_100103153847 [1,0,0,1,0,0|2,0,0]=4 451 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [0,0,0,1,1,0|1,0,0]=3 452 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [0,0,0,1,1,0|1,0,0]=3 453 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [0,0,0,1,1,0|2,0,0]=4 454 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [0,0,0,1,1,0|2,0,0]=4 455 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [0,0,0,1,1,0|2,0,0]=4 456 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [0,0,0,1,1,0|2,0,0]=4 457 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,1,1,0|1,0,0]=3 458 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,1,1,0|2,0,0]=4 459 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,1,1,0|2,0,0]=4 460 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,1,1,0|1,0,0]=3 461 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,1,1,0|2,0,0]=4 462 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,1,1,0|2,0,0]=4 463 B11R1.400 CCC1(CCC1)CNC(=O)C 11a_100000685557_100015343762 [0,0,0,1,0,1|2,0,0]=4 464 B11R1.400 CCC1(CCC1)CNC(=O)C 1626a_100000685557_100015343762 [0,0,0,1,0,1|2,0,0]=4 465 B11R1.400 CCC1(CCC1)CNC(=O)C 240690a_100000685557_100015343762 [0,0,0,1,0,1|2,0,0]=4 466 B11R1.400 CCC1(CCC1)CNC(=O)C 527a_100000685557_100103153847 [0,0,0,1,0,1|2,0,0]=4 467 B11R1.400 CCC1(COC1)OCC(=O)N 7a_100010739965_100000187820 [0,0,0,1,0,1|1,0,0]=3 468 B11R1.400 NC(=O)CNC1(CCC1)CO 2230a_100016993734_100000747473 [0,0,0,1,0,1|2,0,0]=4 469 B11R1.713 C=C(C)COC1(CCCC1)C 34a_100000751722_100000748629 [0,0,0,1,0,1|2,0,0]=4 470 B11R1.713 C=C(C)COC1(CCCC1)C 7a_100000751722_100000748629 [0,0,0,1,0,1|2,0,0]=4 471 B11R1.713 C=C(F)COC1(CCCC1)C 34a_100000751722_100009893438 [0,0,0,1,0,1|2,0,0]=4 472 B11R1.713 C=C(F)COC1(CCCC1)C 7a_100000751722_100000042424 [0,0,0,1,0,1|2,0,0]=4 473 B11R1.713 CC1(CCCC1)OCC(=O)N 34a_100000751722_100000187820 [0,0,0,1,0,1|0,0,0]=2 474 B11R1.713 CC1(CCCC1)OCC(=O)N 7a_100000751722_100000187820 [0,0,0,1,0,1|0,0,0]=2 475 B11R1.713 CC1(CCCC1)OCC(=O)[O-] 34a_100000751722_100020667443 [0,0,0,1,0,1|1,0,0]=3 476 B11R1.713 CC1(CCCC1)OC[N+](=O)[O-] 34a_100000751722_100000761209 [0,0,0,1,0,1|2,0,0]=4 477 B11R1.713 CC1(CCOC1)NCC(=O)N 2230a_100000693475_100000747473 [0,0,0,1,0,1|2,0,0]=4 478 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,1,0,1,0,0|2,0,0]=4 479 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,1,0,1,0,0|2,0,0]=4 480 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,1,0,1,0,0|2,0,0]=4 481 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,1,0,1,0,0|2,0,0]=4 482 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,1,0,1,0,0|2,0,0]=4 483 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,1,0,1,0,0|2,0,0]=4 484 B11R1.771 CCNC1(COC1)CC(=O)N 2230a_100010899716_100000210202 [0,1,0,1,0,0|2,0,0]=4 485 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 486 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 487 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [0,1,0,1,0,0|2,0,0]=4 488 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [0,1,0,1,0,0|2,0,0]=4 489 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [0,1,0,1,0,0|2,0,0]=4 490 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [0,1,0,1,0,0|2,0,0]=4 491 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [0,1,0,1,0,0|2,0,0]=4 492 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [0,1,0,1,0,0|2,0,0]=4 493 B11R1.895 CNC(=O)NC1(CCOC1)C 2708a_100102657272_100000693475 [0,1,0,1,0,0|2,0,0]=4 494 B11R1.895 CNC(=O)NC1(CCOC1)C 273464a_100000693475_100102657272 [0,1,0,1,0,0|2,0,0]=4 495 B11R1.895 CNC(=O)NC1(CCOC1)C 273464a_100102657272_100000693475 [0,1,0,1,0,0|2,0,0]=4 496 B11R1.895 CNC(=O)NC1(CCOC1)C 512a_100000693475_100102657272 [0,1,0,1,0,0|2,0,0]=4 497 B11R1.895 CNC(=O)NC1(CCOC1)C 512a_106832991638_100000693475 [0,1,0,1,0,0|2,0,0]=4 498 B11R1.1116 CNC(=O)NC1(CCC1)CO 2708a_100102657272_100016993734 [0,1,0,1,0,0|2,0,0]=4 499 B11R1.1116 CNC(=O)NC1(CCC1)CO 273464a_100016993734_100102657272 [0,1,0,1,0,0|2,0,0]=4 500 B11R1.1116 CNC(=O)NC1(CCC1)CO 273464a_100102657272_100016993734 [0,1,0,1,0,0|2,0,0]=4 501 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [1,0,0,0,1,0|1,0,0]=3 502 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [1,0,0,0,1,0|1,0,0]=3 503 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [1,0,0,0,1,0|1,0,0]=3 504 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [1,0,0,0,1,0|1,0,0]=3 505 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [1,0,0,0,1,0|1,0,0]=3 506 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [1,0,0,0,1,0|1,0,0]=3 507 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [1,0,0,0,1,0|1,0,0]=3 508 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [1,0,0,0,1,0|1,0,0]=3 509 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [1,0,0,0,1,0|1,0,0]=3 510 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [1,0,0,0,1,0|1,0,0]=3 511 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [1,0,0,0,1,0|2,0,0]=4 512 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [1,0,0,0,1,0|1,0,0]=3 513 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [1,0,0,0,1,0|2,0,0]=4 514 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [1,0,0,0,1,0|1,0,0]=3 515 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [1,0,0,0,1,0|1,0,0]=3 516 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [1,0,0,0,1,0|1,0,0]=3 517 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [1,0,0,0,1,0|1,0,0]=3 518 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [1,0,0,0,1,0|2,0,0]=4 519 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [1,0,0,0,1,0|2,0,0]=4 520 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [1,0,0,0,1,0|2,0,0]=4 521 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [1,0,0,0,1,0|2,0,0]=4 522 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [1,0,0,0,1,0|2,0,0]=4 523 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [1,0,0,0,1,0|2,0,0]=4 524 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [1,0,0,0,1,0|2,0,0]=4 525 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [1,0,0,0,1,0|2,0,0]=4 526 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [1,0,0,0,1,0|2,0,0]=4 527 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [1,0,0,0,1,0|2,0,0]=4 528 B7R0.13 CC(=O)C(C)(C)CF 1458a_100000138116_200000210301 [1,0,0,0,1,0|2,0,0]=4 529 B7R0.13 CC(=O)C(C)(C)CO 1458a_100000749806_200000210301 [1,0,0,0,1,0|2,0,0]=4 530 B7R0.13 CC(=O)C(C)(C)O[13CH3] 34a_100000747739_200025704644 [1,0,0,0,1,0|2,0,0]=4 531 B7R0.13 CC(=O)C(C)(C)O[13CH3] 7a_100000747739_200025704644 [1,0,0,0,1,0|2,0,0]=4 532 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_100000075568_200025704644 [1,0,0,0,1,0|2,0,0]=4 533 B7R0.13 CC(=O)C(C)(C)S[13CH3] 62a_200025704644_100000075568 [1,0,0,0,1,0|2,0,0]=4 534 B7R0.13 CC(C)(CF)C(=O)[13CH3] 1458a_100000138116_200025704644 [1,0,0,0,1,0|2,0,0]=4 535 B7R0.13 CC(C)(CO)C(=O)[13CH3] 1458a_100000749806_200025704644 [1,0,0,0,1,0|2,0,0]=4 536 B7R0.13 CC(C)(N[13CH3])C(=O)N 2230a_100000743658_200025704644 [1,0,0,0,1,0|1,0,0]=3 537 B7R0.13 CC(C)(N[13CH3])C(=O)N 34a_100000743658_200025704644 [1,0,0,0,1,0|1,0,0]=3 538 B7R0.13 CC(C)(O[13CH3])C(=O)N 34a_100011626353_200025704644 [1,0,0,0,1,0|1,0,0]=3 539 B7R0.13 CC(C)(O[13CH3])C(=O)N 7a_100011626353_200025704644 [1,0,0,0,1,0|1,0,0]=3 540 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_100000702505_200025704644 [1,0,0,0,1,0|1,0,0]=3 541 B7R0.13 CC(C)(S[13CH3])C(=O)N 62a_200025704644_100000702505 [1,0,0,0,1,0|1,0,0]=3 542 B7R0.13 CCC(C)(C)C(=O)C 1458a_100000749717_200000210301 [1,0,0,0,1,0|1,0,0]=3 543 B7R0.13 CCC(C)(C)C(=O)[13CH3] 1458a_100000749717_200025704644 [1,0,0,0,1,0|1,0,0]=3 544 B7R0.13 CCC(C)(O)C(=O)C 1458a_100011219770_200000210301 [1,0,0,0,1,0|2,0,0]=4 545 B7R0.13 CCC(C)(O)C(=O)[13CH3] 1458a_100011219770_200025704644 [1,0,0,0,1,0|2,0,0]=4 546 B7R0.13 CNC(C)(C)C(=O)C 7a_106832991635_100000075568 [1,0,0,0,1,0|2,0,0]=4 547 B7R0.13 CNC(C)(C)C(=O)N 2230a_100000743658_200000210301 [1,0,0,0,1,0|1,0,0]=3 548 B7R0.13 CNC(C)(C)C(=O)N 2230a_106832991635_100000702505 [1,0,0,0,1,0|1,0,0]=3 549 B7R0.13 CNC(C)(C)C(=O)N 34a_100000743658_200000210301 [1,0,0,0,1,0|1,0,0]=3 550 B7R0.13 CNC(C)(C)C(=O)N 34a_100102657272_100000702505 [1,0,0,0,1,0|1,0,0]=3 551 B7R0.13 CNC(C)(C)C(=O)N 7a_106832991635_100000702505 [1,0,0,0,1,0|1,0,0]=3 552 B7R0.13 COC(C)(C)C(=O)C 1458a_100000753492_200000210301 [1,0,0,0,1,0|2,0,0]=4 553 B7R0.13 COC(C)(C)C(=O)C 34a_100000747739_200000210301 [1,0,0,0,1,0|2,0,0]=4 554 B7R0.13 COC(C)(C)C(=O)C 7a_100000747739_200000210301 [1,0,0,0,1,0|2,0,0]=4 555 B7R0.13 COC(C)(C)C(=O)N 34a_100011626353_200000210301 [1,0,0,0,1,0|1,0,0]=3 556 B7R0.13 COC(C)(C)C(=O)N 34a_100138415774_100000702505 [1,0,0,0,1,0|1,0,0]=3 557 B7R0.13 COC(C)(C)C(=O)N 7a_100011626353_200000210301 [1,0,0,0,1,0|1,0,0]=3 558 B7R0.13 COC(C)(C)C(=O)[13CH3] 1458a_100000753492_200025704644 [1,0,0,0,1,0|2,0,0]=4 559 B7R0.13 CSC(C)(C)C(=O)C 62a_100000075568_200000210301 [1,0,0,0,1,0|2,0,0]=4 560 B7R0.13 CSC(C)(C)C(=O)C 62a_200000210301_100000075568 [1,0,0,0,1,0|2,0,0]=4 561 B7R0.13 CSC(C)(C)C(=O)N 62a_100000702505_200000210301 [1,0,0,0,1,0|1,0,0]=3 562 B7R0.13 CSC(C)(C)C(=O)N 62a_200000210301_100000702505 [1,0,0,0,1,0|1,0,0]=3 563 B9R0.43 C#CC(CC)OCC(=O)N 34a_100000758843_100000187820 [1,0,0,0,0,1|0,0,2]=4 564 B9R0.43 C#CC(CC)OCC(=O)N 7a_100000758843_100000187820 [1,0,0,0,0,1|0,0,2]=4 565 B9R0.43 C=C(C)COC(CC)CC 7a_100000688536_100000748629 [1,0,0,0,0,1|2,0,0]=4 566 B9R0.43 C=C(F)COC(CC)CC 7a_100000688536_100000042424 [1,0,0,0,0,1|2,0,0]=4 567 B9R0.43 C=CC(CC)OCC(=O)N 34a_100000766422_100000187820 [1,0,0,0,0,1|0,0,2]=4 568 B9R0.43 C=CC(CC)OCC(=O)N 7a_100000766422_100000187820 [1,0,0,0,0,1|0,0,2]=4 569 B9R0.43 CCC(CC)CNC(=O)C 11a_100102946423_100015343762 [1,0,0,0,0,1|2,0,0]=4 570 B9R0.43 CCC(CC)CNC(=O)C 1626a_100102946423_100015343762 [1,0,0,0,0,1|2,0,0]=4 571 B9R0.43 CCC(CC)CNC(=O)C 240690a_100102946423_100015343762 [1,0,0,0,0,1|2,0,0]=4 572 B9R0.43 CCC(CC)CNC(=O)C 527a_100102946423_100103153847 [1,0,0,0,0,1|2,0,0]=4 573 B9R0.43 CCC(CC)NCC(=O)N 2230a_100000199018_100000747473 [1,0,0,0,0,1|1,0,0]=3 574 B9R0.43 CCC(CC)NCC(=O)O 269956a_100016091260_100000210505 [1,0,0,0,0,1|2,0,0]=4 575 B9R0.43 CCC(CC)NNC(=O)C 22a_100000756293_100000070787 [1,0,0,0,0,1|2,0,0]=4 576 B9R0.43 CCC(CC)OCC(=O)C 1458a_100012002705_200000210301 [1,0,0,0,0,1|1,0,0]=3 577 B9R0.43 CCC(CC)OCC(=O)N 7a_100000688536_100000187820 [1,0,0,0,0,1|0,0,0]=2 578 B9R0.43 CCC(CC)OCC(=O)[13CH3] 1458a_100012002705_200025704644 [1,0,0,0,0,1|1,0,0]=3 579 B9R0.43 CCC(CC)SCC(=O)N 62a_100000210505_100000747473 [1,0,0,0,0,1|0,1,0]=3 580 B9R0.43 CCC(CC)SCC(=O)N 62a_100000747473_100000210505 [1,0,0,0,0,1|0,1,0]=3 581 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100000210505_100020667443 [1,0,0,0,0,1|1,1,0]=4 582 B9R0.43 CCC(CC)SCC(=O)[O-] 62a_100020667443_100000210505 [1,0,0,0,0,1|1,1,0]=4 583 B9R0.43 CCN(CC)CCC(=O)N 2230a_100000724800_100000744528 [1,0,0,0,0,1|2,0,0]=4 584 B9R0.43 CCN(CC)CCC(=O)N 2230a_100020645749_100000210202 [1,0,0,0,0,1|2,0,0]=4 585 B9R0.43 CCN(CC)CCC(=O)N 269956a_100000042499_100000744528 [1,0,0,0,0,1|2,0,0]=4 586 B9R0.43 CCN(CC)CCC(=O)N 269982a_100000724800_100000744528 [1,0,0,0,0,1|2,0,0]=4 587 B9R0.43 CCN(CC)COC(=O)C 269956a_100000042499_100000076356 [1,0,0,0,0,1|2,0,0]=4 588 B9R0.43 CCN(CC)COC(=O)C 269982a_100000724800_100000076356 [1,0,0,0,0,1|2,0,0]=4 589 B9R0.43 CC[C@@H](CO)NCC(=O)N 2230a_100000709445_100000747473 [1,0,0,0,0,1|2,0,0]=4 590 B9R0.43 NC(=O)COC(CCl)CCl 7a_100000737055_100000187820 [1,0,0,0,0,1|2,0,0]=4 591 B9R0.43 NC(=O)COC(CF)CF 34a_100000032261_100000187820 [1,0,0,0,0,1|2,0,0]=4 592 B9R0.43 NC(=O)COC(CF)CF 7a_100000032261_100000187820 [1,0,0,0,0,1|2,0,0]=4 593 B9R0.43 NC(=O)CO[C@@H](CF)CCl 34a_100015614560_100000187820 [1,0,0,0,0,1|2,0,0]=4 594 B9R0.43 NC(=O)CO[C@@H](CF)CCl 7a_100015614560_100000187820 [1,0,0,0,0,1|2,0,0]=4 595 B9R0.43 NCC(CN)OCC(=O)N 34a_100000031598_100000187820 [1,0,0,0,0,1|2,0,0]=4 596 B9R0.64 C#CC(C)(C)OCC(=O)N 34a_100000189450_100000187820 [1,0,0,0,0,1|0,0,2]=4 597 B9R0.64 C#CC(C)(C)OCC(=O)N 7a_100000189450_100000187820 [1,0,0,0,0,1|0,0,2]=4 598 B9R0.64 C=C(C)COC(C)(C)CC 7a_100000210230_100000748629 [1,0,0,0,0,1|2,0,0]=4 599 B9R0.64 C=C(F)COC(C)(C)CC 7a_100000210230_100000042424 [1,0,0,0,0,1|2,0,0]=4 600 B9R0.64 C=CC(C)(C)OCC(=O)N 34a_100011215311_100000187820 [1,0,0,0,0,1|0,0,2]=4 601 B9R0.64 C=CC(C)(C)OCC(=O)N 7a_100011215311_100000187820 [1,0,0,0,0,1|0,0,2]=4 602 B9R0.64 CC(C)(C#N)OCC(=O)N 34a_200015195151_100000187820 [1,0,0,0,0,1|1,0,1]=4 603 B9R0.64 CC(C)(CCl)OCC(=O)N 7a_100000764493_100000187820 [1,0,0,0,0,1|1,0,0]=3 604 B9R0.64 CC(C)(CO)NCC(=O)N 2230a_100000210608_100000747473 [1,0,0,0,0,1|2,0,0]=4 605 B9R0.64 CCC(C)(C)NCC(=O)N 2230a_100000211385_100000747473 [1,0,0,0,0,1|1,0,0]=3 606 B9R0.64 CCC(C)(C)NCC(=O)O 269956a_100016091260_100000032637 [1,0,0,0,0,1|2,0,0]=4 607 B9R0.64 CCC(C)(C)OCC(=O)N 7a_100000210230_100000187820 [1,0,0,0,0,1|0,0,0]=2 608 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000032637_100000747473 [1,0,0,0,0,1|0,1,0]=3 609 B9R0.64 CCC(C)(C)SCC(=O)N 62a_100000747473_100000032637 [1,0,0,0,0,1|0,1,0]=3 610 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100000032637_100020667443 [1,0,0,0,0,1|1,1,0]=4 611 B9R0.64 CCC(C)(C)SCC(=O)[O-] 62a_100020667443_100000032637 [1,0,0,0,0,1|1,1,0]=4 612 B11R0.213 C#CC(C)(CC)OCCC(=O)N 34a_100000686493_100000731001 [0,0,0,0,0,2|0,0,2]=4 613 B11R0.213 C#CC(C)(CC)OCCC(=O)N 7a_100000686493_100000744528 [0,0,0,0,0,2|0,0,2]=4 614 B11R0.213 C=C(C)CCOC(C)(CC)CC 7a_100000755174_100000730704 [0,0,0,0,0,2|2,0,0]=4 615 B11R0.213 CCC(C)(C#N)OCCC(=O)N 7a_100000760259_100000744528 [0,0,0,0,0,2|1,0,1]=4 616 B11R0.213 CCC(C)(CC)NOCC(=O)O 269956a_100000106656_100009817345 [0,0,0,0,0,2|1,0,0]=3 617 B11R0.213 CCC(C)(CC)OCC=C(C)C 7a_100000755174_100000761012 [0,0,0,0,0,2|2,0,0]=4 618 B11R0.213 CCC(C)(CC)OCCC(=O)C 7a_100000755174_100000053229 [0,0,0,0,0,2|1,0,0]=3 619 B11R0.213 CCC(C)(CC)OCCC(=O)C 7a_100000759926_100009817345 [0,0,0,0,0,2|1,0,0]=3 620 B11R0.213 CCC(C)(CC)OCCC(=O)N 7a_100000755174_100000744528 [0,0,0,0,0,2|0,0,0]=2 621 B11R0.213 CCC(C)(CC)OCCC(=O)N 7a_100000757172_100009817345 [0,0,0,0,0,2|0,0,0]=2 622 B11R0.213 CCC(C)(CC)SCCC(=O)C 62a_100000053229_100009817345 [0,0,0,0,0,2|1,1,0]=4 623 B11R0.213 CCC(C)(CC)SCCC(=O)C 62a_100009817345_100000053229 [0,0,0,0,0,2|1,1,0]=4 624 B11R0.213 CCC(C)(CC)SCCC(=O)N 62a_100000744528_100009817345 [0,0,0,0,0,2|0,1,0]=3 625 B11R0.213 CCC(C)(CC)SCCC(=O)N 62a_100009817345_100000744528 [0,0,0,0,0,2|0,1,0]=3 626 B11R0.213 CCC(C)(CC)SCOC(=O)C 62a_100000076356_100009817345 [0,0,0,0,0,2|1,0,0]=3 627 B11R0.213 CCC(C)(CC)SCOC(=O)C 62a_100009817345_100000076356 [0,0,0,0,0,2|1,0,0]=3