0 B9R1.35 CC(C)[C@@H]1COC(=O)N1 33734 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TD8068 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC(C)[C@@H]1COC(=O)N1 W10689 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=CC=C(C(=O)O)N1 O11470 [0,0,0,0,0,0|1,0,3]=4 4 B9R1.35 CN1CC[C@H](C(=O)O)C1 25139 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CN1CC[C@H](C(=O)O)C1 28355 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CN1CC[C@H](C(=O)O)C1 38444 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 S12115 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 NC(=O)[C@@H]1CNC(=O)C1 W12224 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 NC1CCC(C(=O)O)C1 31351 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 NC1CCC(C(=O)O)C1 38978 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [0,0,0,0,0,0|2,0,2]=4 17 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [0,0,0,0,0,0|3,0,1]=4 20 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [0,0,0,0,0,0|2,0,2]=4 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 O=C1C=C(C(=O)O)CC1 D82157 [0,0,0,0,0,0|1,0,1]=2 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 36689 [0,0,0,0,0,0|0,0,0]=0 27 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 D77751 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P17107 [0,0,0,0,0,0|0,0,0]=0 29 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 S10166 [0,0,0,0,0,0|0,0,1]=1 33 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93865 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.35 O=C1N[C@H](C(=O)O)CS1 D70531 [0,0,0,0,0,0|1,0,0]=1 40 B8R1.1 C=C[C@@H]1COC(=O)O1 D92787 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.1 CC[C@H]1CCC(=O)O1 AC2069 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.1 NC[C@H]1CCC(=O)N1 29046 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.1 O=C1CC[C@H](CBr)N1 54799 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.1 O=C1CC[C@H](CBr)N1 FD1199 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.1 O=C1CC[C@H](CO)N1 65450 [1,0,0,0,0,0|0,0,1]=2 47 B8R1.1 O=C1CC[C@H](CO)N1 65451 [1,0,0,0,0,0|0,0,1]=2 48 B8R1.1 O=C1CC[C@H](CO)N1 78078 [1,0,0,0,0,0|0,0,1]=2 49 B8R1.1 O=C1CC[C@H](CO)O1 60100 [1,0,0,0,0,0|1,0,1]=3 50 B8R1.1 O=C1CC[C@H](CO)O1 60102 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.1 O=C1NC[C@H](CO)O1 30493 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.1 O=C1OC[C@H](CO)O1 S12081 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.7 CC(=O)C1CCCC1 83754 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 NC(=O)C1CC=CC1 O11713 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 NC(=O)C1CCCC1 20928 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 NC(=O)[C@@H]1CCCN1 59577 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.7 NC(=O)[C@@H]1CCCN1 59579 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.7 NC(=O)[C@@H]1CCCN1 59581 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.7 NC(=O)[C@@H]1CCCN1 AC8100 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.7 NC(=O)[C@@H]1CCCN1 F10562 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.7 NC(=O)[C@@H]1CCCN1 P10052 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.7 NC(=O)[C@@H]1CCCO1 30997 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 O=C(Cl)C1CCCC1 D89509 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.7 O=C(O)C1=CC=CN1 33105 [1,0,0,0,0,0|0,0,3]=4 67 B8R1.7 O=C(O)C1=CCC=C1 36684 [1,0,0,0,0,0|1,0,2]=4 68 B8R1.7 O=C(O)C1=CCCC1 C10074 [1,0,0,0,0,0|1,0,2]=4 69 B8R1.7 O=C(O)C1=COCC1 60301 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.7 O=C(O)C1=NC=CN1 CL2211 [1,0,0,0,0,0|1,0,2]=4 71 B8R1.7 O=C(O)C1CC=CC1 68357 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.7 O=C(O)C1CCCC1 34069 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [1,0,0,0,0,0|0,0,1]=2 76 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [1,0,0,0,0,0|0,0,1]=2 77 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [1,0,0,0,0,0|0,0,1]=2 78 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 O=C(O)[C@H]1NCCS1 F10465 [1,0,0,0,0,0|1,0,1]=3 91 B10R1.14 COC(=O)C1CCC(N)C1 31701 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.14 COC(=O)N1CCC(=O)C1 O11916 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64392 [0,1,0,0,0,0|0,0,0]=1 94 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64393 [0,1,0,0,0,0|0,0,0]=1 95 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AB3989 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 64818 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.31 O=CC1=CC=C(C(=O)O)N1 F17110 [0,1,0,0,0,0|0,0,3]=4 100 B10R1.55 O=C1CC[C@@H](C(F)(F)F)N1 52486 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.58 CN1C[C@@H](C(N)=O)CC1=O 71057 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O 75217 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O 79203 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 80098 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)C1 F12823 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 78872 [0,1,0,0,0,0|3,0,0]=4 107 B8R0.8 CCCC[C@H](Br)C(=O)O H11951 [0,0,1,0,0,0|2,0,1]=4 108 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [0,0,1,0,0,0|2,0,1]=4 109 B8R0.8 CCCC[C@H](N)C(=O)O 73275 [0,0,1,0,0,0|1,0,1]=3 110 B8R0.8 CCCC[C@H](N)C(=O)O FD3031 [0,0,1,0,0,0|1,0,1]=3 111 B8R0.8 CCCC[C@H](N)C(=O)O FD3085 [0,0,1,0,0,0|1,0,1]=3 112 B8R0.8 CSCC[C@H](N)C(=O)O 30742 [0,0,1,0,0,0|2,0,0]=3 113 B8R0.8 CSCC[C@H](N)C(=O)O D70895 [0,0,1,0,0,0|2,0,0]=3 114 B8R0.8 CSCC[C@H](N)C(=O)O D72471 [0,0,1,0,0,0|2,0,0]=3 115 B8R0.8 CSCC[C@H](N)C(=O)[O-] D70450 [0,0,1,0,0,0|2,0,1]=4 116 B8R0.8 CSCC[C@H](N)C(N)=O F10669 [0,0,1,0,0,0|3,0,0]=4 117 B8R0.8 CSCC[C@H](O)C(=O)O H11809 [0,0,1,0,0,0|3,0,0]=4 118 B8R0.8 C[Se]CC[C@H](N)C(=O)O D92258 [0,0,1,0,0,0|2,0,0]=3 119 B8R0.8 NCCC[C@H](N)C(=O)O 28202 [0,0,1,0,0,0|1,0,1]=3 120 B8R0.8 NCCC[C@H](N)C(=O)O 28697 [0,0,1,0,0,0|1,0,1]=3 121 B8R0.8 NCCC[C@H](N)C(=O)O AC1496 [0,0,1,0,0,0|1,0,1]=3 122 B8R0.8 NCCC[C@H](N)C(=O)O D70545 [0,0,1,0,0,0|1,0,1]=3 123 B8R0.8 NCCC[C@H](N)C(=O)O D91796 [0,0,1,0,0,0|1,0,1]=3 124 B8R0.8 NCCC[C@H](N)C(=O)O F17224 [0,0,1,0,0,0|1,0,1]=3 125 B8R0.9 CCC(=O)CCC(=O)O D93322 [0,0,1,0,0,0|1,0,0]=2 126 B8R0.9 CCC(=O)NCC(C)C AC2518 [0,0,1,0,0,0|2,0,1]=4 127 B8R0.9 CNC(=O)\C=C/C(=O)O D91423 [0,0,1,0,0,0|2,0,1]=4 128 B8R0.9 COC(=O)CCC(=O)Cl S11982 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.9 COC(=O)CCC(=O)O 73736 [0,0,1,0,0,0|2,0,0]=3 130 B8R0.9 COC(=O)CCC(C)=O H11992 [0,0,1,0,0,0|3,0,0]=4 131 B8R0.9 COC(=O)CCC(N)=O D92260 [0,0,1,0,0,0|3,0,0]=4 132 B8R0.9 COC(=O)NCC(=O)O S10575 [0,0,1,0,0,0|1,0,0]=2 133 B8R0.9 COC(=O)\C=C\C(=O)O A11518 [0,0,1,0,0,0|2,0,1]=4 134 B8R0.9 NCC(=O)CCC(=O)O 22878 [0,0,1,0,0,0|2,0,0]=3 135 B8R0.9 NCC(=O)NCC(=O)O F17229 [0,0,1,0,0,0|1,0,0]=2 136 B8R0.9 NNC(=O)CCC(=O)O D92947 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.9 O=C(O)CNC(=O)CCl FD21633 [0,0,1,0,0,0|1,0,0]=2 138 B8R0.23 C=C(NC(C)=O)C(=O)O F20437 [0,0,1,0,0,0|0,0,2]=3 139 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [0,0,1,0,0,0|1,0,0]=2 140 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [0,0,1,0,0,0|0,0,0]=1 141 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [0,0,1,0,0,0|0,0,0]=1 142 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [0,0,1,0,0,0|0,0,0]=1 143 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 67749 [0,0,1,0,0,0|2,0,0]=3 144 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T70869 [0,0,1,0,0,0|2,0,0]=3 145 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [0,0,1,0,0,0|1,0,0]=2 146 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [0,0,1,0,0,0|1,0,0]=2 147 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [0,0,1,0,0,0|3,0,0]=4 149 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [0,0,1,0,0,0|2,0,0]=3 150 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [0,0,1,0,0,0|2,0,0]=3 151 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [0,0,1,0,0,0|2,0,0]=3 152 B8R0.23 C\C(=C\C(=O)O)C(=O)O D95321 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [0,0,1,0,0,0|3,0,0]=4 154 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [0,0,1,0,0,0|3,0,0]=4 155 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [0,0,1,0,0,0|3,0,0]=4 157 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [0,0,1,0,0,0|3,0,0]=4 158 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [0,0,1,0,0,0|3,0,0]=4 162 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [0,0,1,0,0,0|3,0,0]=4 163 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [0,0,1,0,0,0|3,0,0]=4 165 B8R0.28 CC(=O)CCCC(=O)O TD8115 [0,0,1,0,0,0|1,0,0]=2 166 B8R0.28 CC(=O)CCOC(C)=O D84229 [0,0,1,0,0,0|3,0,0]=4 167 B8R0.28 CC(=O)NCCC(=O)O 50398 [0,0,1,0,0,0|2,0,0]=3 168 B8R0.28 CC(=O)SCCC(=O)O N12196 [0,0,1,0,0,0|2,0,0]=3 169 B8R0.28 CN(C)CCCC(=O)O F14882 [0,0,1,0,0,0|3,0,0]=4 170 B8R0.28 N=C(N)NCCC(=O)O H10255 [0,0,1,0,0,0|2,0,0]=3 171 B8R0.28 N=C(N)SCCC(=O)O C15948 [0,0,1,0,0,0|2,0,0]=3 172 B8R0.28 O=C(Cl)COCC(=O)Cl D91875 [0,0,1,0,0,0|3,0,0]=4 173 B8R0.28 O=C(O)CCCC(=O)O D70283 [0,0,1,0,0,0|1,0,0]=2 174 B8R0.28 O=C(O)COCC(=O)O 73725 [0,0,1,0,0,0|2,0,0]=3 175 B8R0.28 O=C(O)CSCC(=O)O AT13116 [0,0,1,0,0,0|2,0,0]=3 176 B8R0.28 O=C(O)\C=C\CC(=O)O F21361 [0,0,1,0,0,0|1,0,2]=4 177 B8R1.23 C=C1CC(C(=O)O)C1 66669 [0,0,0,0,1,0|2,0,0]=3 178 B8R1.23 CC1CC(C(=O)O)C1 84166 [0,0,0,0,1,0|2,0,1]=4 179 B8R1.23 CN1CC(C(=O)O)C1 26233 [0,0,0,0,1,0|3,0,0]=4 180 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [0,0,0,0,1,0|2,0,1]=4 181 B8R1.23 O=C(O)C1CC(O)C1 25649 [0,0,0,0,1,0|1,0,2]=4 182 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [0,0,0,0,1,0|1,0,2]=4 183 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [0,0,0,0,1,0|1,0,2]=4 184 B8R1.23 O=C1CC(C(=O)O)C1 64806 [0,0,0,0,1,0|1,0,0]=2 185 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [0,0,0,0,1,0|0,0,0]=1 186 B10R1.13 CC(=O)N1CCC(=O)CC1 20024 [0,0,0,0,0,1|3,0,0]=4 187 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,0,0,0,0,1|2,0,1]=4 188 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,0,0,0,0,1|3,0,0]=4 189 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,0,0,0,0,1|3,0,0]=4 190 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,0,0,0,0,1|2,0,1]=4 191 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,0,0,0,1|2,0,1]=4 192 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,0,0,0,1|2,0,1]=4 193 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,0,0,0,1|2,0,1]=4 194 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,0,0,0,1|2,0,1]=4 195 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,0,0,0,0,1|1,0,2]=4 196 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,0,0,0,0,1|1,0,2]=4 197 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,0,0,0,0,1|1,0,2]=4 198 B10R1.13 O=C1C=C[C@@H](C(=O)O)N=N1 O11624 [0,0,0,0,0,1|0,0,3]=4 199 B10R1.13 O=C1CCC(C(=O)O)=NN1 28549 [0,0,0,0,0,1|0,0,1]=2 200 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,0,0,0,0,1|1,0,0]=2 201 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 37581 [0,0,0,0,0,1|0,0,0]=1 202 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 I11596 [0,0,0,0,0,1|1,0,1]=3 203 B10R1.113 CC1CCCC(C(=O)O)N1 D81681 [0,0,0,0,0,1|1,0,1]=3 204 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [0,0,0,0,0,1|3,0,0]=4 206 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [0,0,0,0,0,1|2,0,1]=4 207 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [0,0,0,0,0,1|2,0,1]=4 208 B10R1.113 O=C(O)C1CNCC(O)C1 30497 [0,0,0,0,0,1|1,0,2]=4 209 B10R1.113 O=C(O)C1CNCC(O)C1 69575 [0,0,0,0,0,1|1,0,2]=4 210 B10R1.113 O=C1C=NC=C(C(=O)O)N1 O11623 [0,0,0,0,0,1|0,0,3]=4 211 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49444 [0,0,0,0,0,1|0,0,0]=1 212 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49447 [0,0,0,0,0,1|0,0,0]=1 213 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49449 [0,0,0,0,0,1|0,0,0]=1 214 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 26238 [0,0,0,0,0,1|1,0,0]=2 215 B10R1.113 O=C1N=CC=C(C(=O)O)N1 26790 [0,0,0,0,0,1|0,0,3]=4 216 B7R0.3 COC(=O)CCC=O 63110 [1,0,1,0,0,0|2,0,0]=4 217 B7R0.4 C#CCCCC(=O)O F14123 [1,0,1,0,0,0|1,0,1]=4 218 B7R0.4 C=CCCCC(=O)O D86337 [1,0,1,0,0,0|1,0,0]=3 219 B7R0.4 C=CCNCC(=O)O 54025 [1,0,1,0,0,0|2,0,0]=4 220 B7R0.4 CCCCCC(N)=O D89187 [1,0,1,0,0,0|1,0,1]=4 221 B7R0.4 CC\C=C\CC(=O)O D82088 [1,0,1,0,0,0|1,0,0]=3 222 B7R0.4 CNCCCC(=O)O 20515 [1,0,1,0,0,0|2,0,0]=4 223 B7R0.4 CNCCCC(=O)O AB7427 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.4 N#CCCCC(=O)O RB3314 [1,0,1,0,0,0|0,0,2]=4 225 B7R0.4 NCCCCC(=O)O 76219 [1,0,1,0,0,0|0,0,1]=3 226 B7R0.4 NCCCCC(=O)O D78140 [1,0,1,0,0,0|0,0,1]=3 227 B7R0.4 NCCOCC(=O)O AT23391 [1,0,1,0,0,0|1,0,1]=4 228 B7R0.4 O=C(O)CCCCBr 76255 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.4 O=C(O)CCCCCl C10667 [1,0,1,0,0,0|1,0,1]=4 230 B7R0.4 O=C(O)CNCCO AB10154 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.4 O=C([O-])CCCCO F13839 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.5 C#CC[C@H](N)C(=O)O 23587 [1,0,1,0,0,0|0,0,2]=4 233 B7R0.5 C#CC[C@H](N)C(=O)O A50291 [1,0,1,0,0,0|0,0,2]=4 234 B7R0.5 C#CC[C@H](N)C(=O)O O10166 [1,0,1,0,0,0|0,0,2]=4 235 B7R0.5 C#CC[C@H](N)C(=O)O S10337 [1,0,1,0,0,0|0,0,2]=4 236 B7R0.5 C=CC[C@H](C)C(=O)O P20511 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.5 C=CC[C@H](N)C(=O)O 67600 [1,0,1,0,0,0|0,0,1]=3 238 B7R0.5 C=CC[C@H](N)C(=O)O H10160 [1,0,1,0,0,0|0,0,1]=3 239 B7R0.5 C=CC[C@H](N)C(=O)O O10661 [1,0,1,0,0,0|0,0,1]=3 240 B7R0.5 C=CC[C@H](N)C(=O)O T70065 [1,0,1,0,0,0|0,0,1]=3 241 B7R0.5 CCC[C@H](C)C(=O)O D78086 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.5 CCC[C@H](N)C(=O)O 27282 [1,0,1,0,0,0|0,0,1]=3 243 B7R0.5 CCC[C@H](N)C(=O)O 73286 [1,0,1,0,0,0|0,0,1]=3 244 B7R0.5 CCC[C@H](N)C(=O)O D70899 [1,0,1,0,0,0|0,0,1]=3 245 B7R0.5 COC[C@H](N)C(=O)O 23000 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.5 COC[C@H](N)C(=O)O 23621 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.5 COC[C@H](N)C(=O)O 25149 [1,0,1,0,0,0|1,0,1]=4 248 B7R0.5 COC[C@H](N)C(=O)O 52228 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.5 COC[C@H](N)C(=O)O F10843 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.5 CSC[C@H](N)C(=O)O FD21238 [1,0,1,0,0,0|1,0,1]=4 251 B7R0.5 C[C@H](NC=O)C(=O)O T72666 [1,0,1,0,0,0|0,0,0]=2 252 B7R0.5 NCC[C@H](N)C(=O)O 71083 [1,0,1,0,0,0|1,0,0]=3 253 B7R0.5 NCC[C@H](N)C(=O)O FD1067 [1,0,1,0,0,0|1,0,0]=3 254 B7R0.5 NCC[C@H](N)C(=O)O FD1073 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.5 NCC[C@H](O)C(=O)O 28622 [1,0,1,0,0,0|2,0,0]=4 256 B7R0.5 NCC[C@H](O)C(=O)O O11154 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.5 N[C@@H](CCBr)C(=O)O FD1268 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.5 N[C@@H](CCO)C(=O)O 27335 [1,0,1,0,0,0|0,0,1]=3 259 B7R0.5 N[C@@H](CCO)C(=O)O FD1121 [1,0,1,0,0,0|0,0,1]=3 260 B7R0.5 N[C@@H](CCO)C(=O)O FD1124 [1,0,1,0,0,0|0,0,1]=3 261 B7R0.6 C=C(C)CCC(=O)O 80208 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.6 CC(=O)CCC(=O)O D70802 [1,0,1,0,0,0|1,0,0]=3 263 B7R0.6 CC(=O)CCC(=O)[O-] H10799 [1,0,1,0,0,0|1,0,1]=4 264 B7R0.6 CC(=O)CCC(C)=O D71099 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.6 CC(=O)CNC(C)=O 83215 [1,0,1,0,0,0|1,0,0]=3 266 B7R0.6 CC(=O)NCC(=O)O AC8343 [1,0,1,0,0,0|0,0,0]=2 267 B7R0.6 CC(=O)NNC(C)=O D87230 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.6 CC(=O)OCC(=O)Cl S12356 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.6 CC(=O)OCC(=O)O D81772 [1,0,1,0,0,0|1,0,0]=3 270 B7R0.6 CC(=O)SCC(=O)O H12044 [1,0,1,0,0,0|1,0,0]=3 271 B7R0.6 CC(=O)\C=C\C(=O)O D82816 [1,0,1,0,0,0|1,0,1]=4 272 B7R0.6 N=C(N)NCC(=O)O AC2229 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.6 NC(=O)NCC(=O)O AT23074 [1,0,1,0,0,0|1,0,0]=3 274 B7R0.6 O=C(O)CCC(=O)O AB7710 [1,0,1,0,0,0|2,0,0]=4 275 B7R0.6 O=C(O)CCC(=O)O D80729 [1,0,1,0,0,0|2,0,0]=4 276 B7R0.15 CN[C@@H](CO)C(=O)O D97539 [1,0,1,0,0,0|1,0,1]=4 277 B7R0.2 C=C[C@H](C)OC(C)=O D88608 [1,0,1,0,0,0|2,0,0]=4 278 B7R1.1 O=CC1CCCC1 H11353 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.1 O=C[C@H]1CCOC1 I10170 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.1 OC[C@H]1CCCN1 11146 [2,0,0,0,0,0|0,0,2]=4 281 B7R1.1 OC[C@H]1CCCN1 11148 [2,0,0,0,0,0|0,0,2]=4 282 B7R1.1 OC[C@H]1CCCN1 F10903 [2,0,0,0,0,0|0,0,2]=4 283 B7R1.2 C[C@H]1CCC(=O)C1 F10505 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.2 C[C@H]1CCC(=O)N1 D72848 [2,0,0,0,0,0|0,0,1]=3 285 B7R1.2 C[C@H]1CCC(=O)O1 P20539 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.2 O=C1CCC(=O)C1 23085 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.2 O=C1CCC(=O)O1 D78120 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.2 O=C1CNC(=O)N1 D70295 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.2 O=C1CSC(=O)N1 AC7504 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.2 O=C1C[C@H](O)CN1 26280 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.2 O=C1C[C@H](O)CN1 62393 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.2 O=C1C[C@H](O)CN1 62394 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.2 O=C1C[C@H](O)CO1 H11711 [2,0,0,0,0,0|2,0,0]=4 294 B9R0.7 CC(=O)OC[C@H](N)C(=O)O 50435 [0,1,1,0,0,0|1,0,0]=3 295 B9R0.7 CC(C)CC[C@H](N)C(=O)O 35603 [0,1,1,0,0,0|1,0,1]=4 296 B9R0.7 CC(C)CC[C@H](N)C(=O)O F11532 [0,1,1,0,0,0|1,0,1]=4 297 B9R0.7 CS(=O)CC[C@H](N)C(=O)O F10841 [0,1,1,0,0,0|1,0,0]=3 298 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O T71598 [0,1,1,0,0,0|1,0,0]=3 299 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 23178 [0,1,1,0,0,0|0,0,0]=2 300 B9R0.7 NC(=O)CC[C@H](N)C(=O)O 28640 [0,1,1,0,0,0|0,0,0]=2 301 B9R0.7 NC(=O)CC[C@H](N)C(=O)O D70833 [0,1,1,0,0,0|0,0,0]=2 302 B9R0.7 NC(=O)NC[C@H](N)C(=O)O C90278 [0,1,1,0,0,0|1,0,0]=3 303 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O FD21440 [0,1,1,0,0,0|1,0,0]=3 304 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O 28645 [0,1,1,0,0,0|0,0,0]=2 305 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O AC7831 [0,1,1,0,0,0|0,0,0]=2 306 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O D70530 [0,1,1,0,0,0|0,0,0]=2 307 B9R0.7 O=C(O)CCC(=O)C(=O)O D70548 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] D87674 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.7 O=C([O-])CC[C@H](O)C(=O)[O-] O12071 [0,1,1,0,0,0|1,0,1]=4 310 B9R0.8 CCCC[C@H](N)C(=O)OC 23107 [0,1,1,0,0,0|1,0,1]=4 311 B9R0.8 CCCC[C@H](N)C(=O)OC O10226 [0,1,1,0,0,0|1,0,1]=4 312 B9R0.8 COC(=O)[C@@H](N)CCCN I10675 [0,1,1,0,0,0|1,0,1]=4 313 B9R0.8 COC(=O)[C@@H](N)CCSC F10799 [0,1,1,0,0,0|2,0,0]=4 314 B9R0.8 COC(=O)[C@@H](N)CCSC F10996 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.47 C=CCSC[C@H](N)C(=O)O D70846 [0,1,1,0,0,0|1,0,0]=3 316 B9R0.47 C=CCSC[C@H](N)C(=O)O F10957 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.47 CCCCC[C@H](N)C(=O)O C71385 [0,1,1,0,0,0|1,0,1]=4 318 B9R0.47 CCSCC[C@H](N)C(=O)O 30126 [0,1,1,0,0,0|1,0,1]=4 319 B9R0.47 NCCCC[C@H](N)C(=O)O 23029 [0,1,1,0,0,0|1,0,1]=4 320 B9R0.47 NCCCC[C@H](N)C(=O)O 26700 [0,1,1,0,0,0|1,0,1]=4 321 B9R0.47 NCCCC[C@H](N)C(=O)O 70041 [0,1,1,0,0,0|1,0,1]=4 322 B9R0.47 NCCCC[C@H](N)C(=O)O AC7885 [0,1,1,0,0,0|1,0,1]=4 323 B9R0.47 NCCCC[C@H](N)C(=O)O D70557 [0,1,1,0,0,0|1,0,1]=4 324 B9R0.47 NCCCC[C@H](N)C(=O)O D70613 [0,1,1,0,0,0|1,0,1]=4 325 B9R0.47 NCCCC[C@H](N)C(=O)O F11082 [0,1,1,0,0,0|1,0,1]=4 326 B9R0.47 NCCCC[C@H](N)C(=O)O FD20004 [0,1,1,0,0,0|1,0,1]=4 327 B9R0.47 NCCCC[C@H](N)C(=O)O S10365 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.23 CN(CC(=O)O)C(=O)CN T72250 [0,1,1,0,0,0|1,0,0]=3 329 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,1,1,0,0,0|2,0,0]=4 330 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,1,1,0,0,0|2,0,0]=4 331 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,1,1,0,0,0|2,0,0]=4 332 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,1,1,0,0,0|2,0,0]=4 333 B9R0.24 CCC(=O)CCC(=O)OC D92982 [0,1,1,0,0,0|1,0,0]=3 334 B9R0.24 COC(=O)CCC(=O)CN A11122 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.24 COC(=O)CNC(=O)CN H11329 [0,1,1,0,0,0|1,0,0]=3 336 B9R0.48 CCOC(=O)CCC(=O)Cl 75812 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.48 CCOC(=O)CCC(=O)O O11227 [0,1,1,0,0,0|1,0,0]=3 338 B9R0.48 CCOC(=O)CCC(C)=O D77713 [0,1,1,0,0,0|2,0,0]=4 339 B9R0.48 CCOC(=O)CCC(N)=O 59592 [0,1,1,0,0,0|2,0,0]=4 340 B9R0.48 CCOC(=O)\C=C\C(=O)O 28587 [0,1,1,0,0,0|1,0,1]=4 341 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O F10674 [0,1,1,0,0,0|1,0,0]=3 342 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O 40093 [0,1,1,0,0,0|1,0,0]=3 343 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O A11677 [0,1,1,0,0,0|1,0,0]=3 344 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O D94631 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.39 CC[C@H](NC(C)=O)C(=O)O F14579 [0,1,1,0,0,0|0,0,0]=2 346 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O AC2467 [0,1,1,0,0,0|2,0,0]=4 347 B9R0.11 CC(C)(CC(=O)O)C(=O)O O10560 [0,1,1,0,0,0|2,0,0]=4 348 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,1,1,0,0,0|2,0,0]=4 349 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O W13396 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,1,1,0,0,0|1,0,0]=3 352 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,1,1,0,0,0|1,0,0]=3 353 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,1,1,0,0,0|1,0,0]=3 354 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [0,1,1,0,0,0|2,0,0]=4 355 B9R0.1 COC(=O)CSCC(=O)O D80849 [0,1,1,0,0,0|2,0,0]=4 356 B9R0.53 CC(CC(=O)O)CC(=O)O 69331 [0,1,1,0,0,0|1,0,0]=3 357 B9R0.53 CN(CC(=O)O)CC(=O)O 50927 [0,1,1,0,0,0|2,0,0]=4 358 B9R0.53 O=C(O)CC(=O)CC(=O)O 43844 [0,1,1,0,0,0|1,0,1]=4 359 B9R0.56 NS(=O)(=O)CCCC(=O)O F11129 [0,1,1,0,0,0|1,0,0]=3 360 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 P19126 [1,1,0,0,0,0|1,0,1]=4 361 B9R1.11 COC(=O)C1CC=CC1 23138 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.11 COC(=O)C1CCCC1 71026 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.11 COC(=O)[C@@H]1CCCN1 35748 [1,1,0,0,0,0|0,0,1]=3 364 B9R1.11 COC(=O)[C@@H]1CCCN1 F10761 [1,1,0,0,0,0|0,0,1]=3 365 B9R1.11 COC(=O)[C@@H]1CCCN1 F10972 [1,1,0,0,0,0|0,0,1]=3 366 B9R1.11 COC(=O)[C@@H]1CCCO1 D94760 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.11 COC(=O)[C@H]1CCNC1 30340 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.11 COC(=O)[C@H]1CCNC1 63827 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.11 COC(=O)[C@H]1CCNC1 63831 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.11 COC(=O)[C@H]1CCOC1 37312 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.41 CC1CCCC1C(=O)O 33416 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [1,1,0,0,0,0|0,0,1]=3 373 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [1,1,0,0,0,0|0,0,1]=3 374 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [1,1,0,0,0,0|0,0,1]=3 375 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [1,1,0,0,0,0|0,0,1]=3 376 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [1,1,0,0,0,0|0,0,1]=3 377 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [1,1,0,0,0,0|0,0,1]=3 378 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.41 NC1CCCC1C(=O)O D94461 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.41 O=C(O)[C@@H]1CCNC1=O P11852 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.163 C[C@@]1(C(=O)O)CCCN1 38428 [1,1,0,0,0,0|0,0,1]=3 383 B9R1.163 C[C@@]1(C(=O)O)CCCN1 85143 [1,1,0,0,0,0|0,0,1]=3 384 B9R1.163 C[C@@]1(C(=O)O)CCCN1 F14122 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.163 C[C@@]1(C(=O)O)CCCN1 S10668 [1,1,0,0,0,0|0,0,1]=3 386 B9R1.163 C[C@@]1(C(=O)O)CCCO1 30852 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.163 NC1(C(=O)O)CCCC1 FD1031 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.163 O=C(O)C1(O)CCCC1 RB3239 [1,1,0,0,0,0|1,0,1]=4 389 B9R1.82 C=C1CC(C(=O)OC)C1 84767 [0,1,0,0,1,0|2,0,0]=4 390 B9R1.82 COC(=O)C1CC(=O)C1 82646 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.3 O=CN1CCC(C(=O)O)CC1 61602 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O P10740 [0,1,0,0,0,1|0,0,0]=2 393 B11R1.22 COC(=O)C1CCC(=O)CC1 64838 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.22 COC(=O)N1CCC(=O)CC1 F14465 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 37580 [0,1,0,0,0,1|0,0,0]=2 396 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 95142 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 38682 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.23 COC(=O)C1=CC(=O)CCC1 63243 [0,1,0,0,0,1|1,0,1]=4 399 B11R1.23 COC(=O)N1CCCC(=O)C1 S10716 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 Y10196 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 37566 [0,1,0,0,0,1|1,0,0]=3 402 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 37128 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.74 O=C1C[C@@H](C(=O)O)NC(=O)N1 60532 [0,1,0,0,0,1|0,0,1]=3 404 B11R1.15 CCOC(=O)N1CCC(=O)C1 28479 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 34526 [0,2,0,0,0,0|0,0,0]=2 406 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 39406 [0,2,0,0,0,0|0,0,0]=2 407 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 71075 [0,2,0,0,0,0|0,0,0]=2 408 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 64862 [0,2,0,0,0,0|2,0,0]=4 409 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 20312 [0,2,0,0,0,0|1,0,0]=3 410 B11R1.226 COC(=O)[C@H]1CC(=O)N(C)C1 30924 [0,2,0,0,0,0|2,0,0]=4 411 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C 75218 [0,2,0,0,0,0|0,0,0]=2 412 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 25647 [0,2,0,0,0,0|1,0,1]=4 413 B11R1.175 O=C(O)C1CCC(C(=O)O)O1 D93524 [0,2,0,0,0,0|1,0,1]=4 414 B11R1.175 O=C(O)C1CSC(C(=O)O)N1 W17240 [0,2,0,0,0,0|1,0,1]=4 415 B11R1.175 O=C(O)[C@H]1CC[C@@H](C(=O)O)C1 33475 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.489 CC1(C)OC(=O)C[C@@H]1C(=O)O T72955 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.6 O=C(O)[C@@H]1CC=CCC1 38226 [0,0,1,1,0,0|2,0,0]=4 418 B9R1.6 O=C(O)[C@@H]1CC=CCC1 77785 [0,0,1,1,0,0|2,0,0]=4 419 B9R1.6 O=C(O)[C@@H]1CC=CCC1 F11249 [0,0,1,1,0,0|2,0,0]=4 420 B9R1.6 O=C(O)[C@@H]1CCCCN1 24951 [0,0,1,1,0,0|1,0,1]=4 421 B9R1.6 O=C(O)[C@@H]1CCCCN1 39420 [0,0,1,1,0,0|1,0,1]=4 422 B9R1.6 O=C(O)[C@@H]1CCCCN1 65236 [0,0,1,1,0,0|1,0,1]=4 423 B9R1.6 O=C(O)[C@@H]1CCCCN1 69549 [0,0,1,1,0,0|1,0,1]=4 424 B9R1.6 O=C(O)[C@@H]1CCCCN1 69551 [0,0,1,1,0,0|1,0,1]=4 425 B9R1.6 O=C(O)[C@@H]1CCCCN1 78208 [0,0,1,1,0,0|1,0,1]=4 426 B9R1.69 N[C@H]1CCC(=O)NC1=O 29616 [0,0,1,1,0,0|1,0,0]=3 427 B9R1.69 N[C@H]1CCC(=O)NC1=O 68699 [0,0,1,1,0,0|1,0,0]=3 428 B9R1.69 N[C@H]1CCC(=O)NC1=O D71109 [0,0,1,1,0,0|1,0,0]=3 429 B9R1.69 N[C@H]1CCC(=O)NC1=O D78527 [0,0,1,1,0,0|1,0,0]=3 430 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 27955 [0,0,1,1,0,0|2,0,0]=4 431 B9R1.110 N[C@H](C(=O)O)C1CCC1 67424 [0,0,1,1,0,0|1,0,1]=4 432 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51300 [0,0,1,1,0,0|1,0,1]=4 433 B9R1.112 N[C@@H](CC1CC1)C(=O)O 51301 [0,0,1,1,0,0|1,0,1]=4 434 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 33120 [0,0,1,1,0,0|2,0,0]=4 435 B9R2.39 O=C1NC2C=CC1C2 28721 [1,0,0,1,0,0|1,0,0]=3 436 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 23610 [1,0,0,1,0,0|1,0,0]=3 437 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 70703 [1,0,0,1,0,0|1,0,0]=3 438 B11R2.139 O=C1CC2CC(=O)CC2C1 F12052 [0,0,0,1,0,1|2,0,0]=4 439 B11R2.139 O=C1NC2NC(=O)NC2N1 C11342 [0,0,0,1,0,1|2,0,0]=4 440 B7R0.16 CC(=O)C(C)C(C)=O D84195 [0,0,1,0,1,0|1,0,0]=3 441 B7R0.16 CC(=O)C(Cl)C(C)=O D89382 [0,0,1,0,1,0|2,0,0]=4 442 B7R0.16 CC(C(=O)O)C(=O)O AC1639 [0,0,1,0,1,0|1,0,0]=3 443 B7R0.16 NC(C(=O)O)C(=O)O F20577 [0,0,1,0,1,0|2,0,0]=4 444 B7R1.10 O=C1CC(CO)C1 P11065 [1,0,0,0,1,0|1,0,1]=4 445 B7R1.18 CC(=O)C1CCC1 P15299 [1,0,0,0,1,0|1,0,1]=4 446 B7R1.18 O=C(Cl)C1CCC1 D87747 [1,0,0,0,1,0|1,0,1]=4 447 B7R1.18 O=C(O)C1CCC1 59526 [1,0,0,0,1,0|0,0,1]=3 448 B7R1.18 O=C(O)C1CNC1 56245 [1,0,0,0,1,0|1,0,1]=4 449 B7R1.18 O=C(O)C1CNC1 67857 [1,0,0,0,1,0|1,0,1]=4 450 B7R1.18 O=C(O)[C@@H]1CCN1 20950 [1,0,0,0,1,0|0,0,0]=2 451 B7R1.18 O=C(O)[C@@H]1CCN1 20951 [1,0,0,0,1,0|0,0,0]=2 452 B7R1.18 O=C(O)[C@@H]1CCN1 24715 [1,0,0,0,1,0|0,0,0]=2 453 B7R1.18 O=C(O)[C@@H]1CCN1 57406 [1,0,0,0,1,0|0,0,0]=2 454 B7R1.18 O=C(O)[C@@H]1CCN1 66104 [1,0,0,0,1,0|0,0,0]=2 455 B7R1.12 O=C(O)C1CC1F CS2163 [0,0,0,0,2,0|1,0,1]=4 456 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1221 [0,0,0,0,2,0|1,0,1]=4 457 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS1224 [0,0,0,0,2,0|1,0,1]=4 458 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS2019 [0,0,0,0,2,0|1,0,1]=4 459 B7R1.12 O=C(O)[C@H]1C[C@@H]1F CS1503 [0,0,0,0,2,0|1,0,1]=4 460 B9R0.4 CCCC[C@H](N)CC(=O)O 29775 [0,0,1,0,0,1|1,0,1]=4 461 B9R0.55 CC(=O)CCCCC(=O)O AT14509 [0,0,1,0,0,1|1,0,0]=3 462 B9R0.55 CC(=O)NCCCC(=O)O D87839 [0,0,1,0,0,1|1,0,0]=3 463 B9R0.55 N=C(N)NCCCC(=O)O D84250 [0,0,1,0,0,1|1,0,0]=3 464 B9R0.55 NC(=O)CCCCC(N)=O W18552 [0,0,1,0,0,1|1,0,0]=3 465 B9R0.55 O=C(Cl)CCCCC(=O)Cl D95337 [0,0,1,0,0,1|2,0,0]=4 466 B9R0.55 O=C(O)CCCCC(=O)O D70505 [0,0,1,0,0,1|1,0,0]=3 467 B9R0.55 O=C(O)CSSCC(=O)O AT13108 [0,0,1,0,0,1|2,0,0]=4 468 B9R0.55 O=C(O)C\C=C\CC(=O)O AT19968 [0,0,1,0,0,1|1,0,1]=4 469 B9R0.55 O=C([O-])CCCCC(=O)[O-] D88288 [0,0,1,0,0,1|1,0,1]=4 470 B9R1.13 O=C(O)CC1CCCC1 70862 [1,0,0,0,0,1|1,0,1]=4 471 B9R1.13 O=C(O)C[C@H]1CCCN1 22918 [1,0,0,0,0,1|0,0,1]=3 472 B9R1.13 O=C(O)C[C@H]1CCCN1 62961 [1,0,0,0,0,1|0,0,1]=3 473 B9R1.13 O=C(O)C[C@H]1CCNC1 37360 [1,0,0,0,0,1|2,0,0]=4 474 B9R1.13 O=C(O)C[C@H]1CCNC1 50101 [1,0,0,0,0,1|2,0,0]=4 475 B9R1.13 O=C(O)C[C@H]1CCNC1 65588 [1,0,0,0,0,1|2,0,0]=4 476 B9R1.13 O=C(O)C[C@H]1CCOC1 25150 [1,0,0,0,0,1|2,0,0]=4 477 B11R1.20 CC(=O)NC1CCC(=O)CC1 55001 [0,0,0,0,0,2|2,0,0]=4 478 B11R1.20 CC(=O)OC1CCC(=O)CC1 F31026 [0,0,0,0,0,2|2,0,0]=4