0 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O 75217 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O 79203 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 25139 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 28355 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.35 CN1CC[C@H](C(=O)O)C1 38444 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 S12115 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.35 NC(=O)[C@@H]1CNC(=O)C1 W12224 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.35 NC1CCC(C(=O)O)C1 31351 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.35 NC1CCC(C(=O)O)C1 38978 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 73672 [1,0,0,0,0,0|1,0,1]=3 10 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 F16405 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 61228 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 BL003740 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62349 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62350 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 62351 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 P17905 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 28866 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 37923 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62301 [1,0,0,0,0,0|1,0,2]=4 20 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62310 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62487 [1,0,0,0,0,0|1,0,2]=4 22 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 62488 [1,0,0,0,0,0|1,0,2]=4 23 B9R1.35 O=C1C=C(C(=O)O)CC1 D82157 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 36689 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 D77751 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 P17107 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 60501 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 78331 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 86330 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.35 O=C1CC[C@@H](C(=O)[O-])N1 S10166 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.35 O=C1CC[C@H](C(=O)O)C1 24489 [1,0,0,0,0,0|0,0,0]=1 32 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12600 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.35 O=C1CC[C@H](C(=O)O)C1 P12601 [1,0,0,0,0,0|0,0,0]=1 34 B9R1.35 O=C1CN[C@H](C(=O)O)C1 D87765 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P10333 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.35 O=C1N[C@H](C(=O)O)CO1 93865 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.35 O=C1N[C@H](C(=O)O)CS1 D70531 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.41 CC1CCCC1C(=O)O 33416 [1,0,0,0,0,0|0,0,1]=2 39 B9R1.41 CN1CCC[C@H]1C(=O)O 28869 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.41 CN1CCC[C@H]1C(=O)O 32214 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.41 CN1CCC[C@H]1C(=O)O 32659 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.41 CN1CCC[C@H]1C(=O)O 35836 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.41 CN1CCC[C@H]1C(=O)O 74862 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.41 CN1CCC[C@H]1C(=O)O 93283 [1,0,0,0,0,0|1,0,1]=3 45 B9R1.41 CN1CCC[C@H]1C(N)=O D83037 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.41 CN1CCC[C@H]1C(N)=O P20756 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.41 NC1CCCC1C(=O)O D94461 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.41 O=C(O)[C@@H]1CCNC1=O P11852 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.865 COC(=O)[C@@H]1CCC(=O)N1C 75218 [0,1,0,0,0,0|1,0,0]=2 50 B9R0.1 C=C(C)CCCC(=O)OC C74671 [0,0,1,0,0,0|3,0,0]=4 51 B9R0.1 COC(=O)CCCC(=O)Cl S11980 [0,0,1,0,0,0|2,0,0]=3 52 B9R0.1 COC(=O)CCCC(=O)O AC9189 [0,0,1,0,0,0|1,0,0]=2 53 B9R0.1 COC(=O)CCCC(C)=O AC8283 [0,0,1,0,0,0|2,0,0]=3 54 B9R0.1 COC(=O)CCC[N+](=O)[O-] W12509 [0,0,1,0,0,0|2,0,1]=4 55 B9R0.1 COC(=O)CSCC(=O)O D80849 [0,0,1,0,0,0|2,0,0]=3 56 B9R0.13 CCCCC(CC)C(=O)[O-] AC8589 [0,0,1,0,0,0|1,0,2]=4 57 B9R0.13 CCCCC(CC)C(=O)[O-] D95682 [0,0,1,0,0,0|1,0,2]=4 58 B9R0.13 CCCCC(CC)C(=O)[O-] H11235 [0,0,1,0,0,0|1,0,2]=4 59 B9R0.13 CCCC[C@H](CC)C(=O)[O-] 58586 [0,0,1,0,0,0|1,0,2]=4 60 B9R0.13 CCCC[C@H](CC)C(=O)[O-] A51068 [0,0,1,0,0,0|1,0,2]=4 61 B9R0.23 CCC(=O)[C@@H](C)CN(C)C 35938 [0,0,1,0,0,0|3,0,0]=4 62 B9R0.23 CN(CC(=O)O)C(=O)CN T72250 [0,0,1,0,0,0|2,0,0]=3 63 B9R0.23 COC(=O)[C@@H](N)CC(=O)O 78253 [0,0,1,0,0,0|2,0,0]=3 64 B9R0.23 COC(=O)[C@@H](N)CC(=O)O AT23254 [0,0,1,0,0,0|2,0,0]=3 65 B9R0.23 COC(=O)[C@@H](N)CC(=O)O C10287 [0,0,1,0,0,0|2,0,0]=3 66 B9R0.23 COC(=O)[C@@H](N)CC(=O)O F15183 [0,0,1,0,0,0|2,0,0]=3 67 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66084 [0,0,1,0,0,0|3,0,0]=4 68 B9R0.23 COC(=O)[C@@H](N)CC(N)=O 66085 [0,0,1,0,0,0|3,0,0]=4 69 B9R0.23 COC(=O)[C@H](C)NC(C)=O 70814 [0,0,1,0,0,0|3,0,0]=4 70 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21103 [0,0,1,0,0,0|3,0,0]=4 71 B9R0.23 COC(=O)[C@H](C)NC(C)=O FD21104 [0,0,1,0,0,0|3,0,0]=4 72 B9R0.79 CC(C(=O)O)C(N)C(=O)O D83126 [0,0,1,0,0,0|2,0,0]=3 73 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O D97437 [0,0,1,0,0,0|1,0,2]=4 74 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O W13396 [0,0,1,0,0,0|1,0,0]=2 75 B9R0.79 O=C(O)C(Br)C(Br)C(=O)O E70301 [0,0,1,0,0,0|3,0,0]=4 76 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O 55667 [0,0,1,0,0,0|3,0,0]=4 77 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D70248 [0,0,1,0,0,0|3,0,0]=4 78 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D78024 [0,0,1,0,0,0|3,0,0]=4 79 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O D89803 [0,0,1,0,0,0|3,0,0]=4 80 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O F12055 [0,0,1,0,0,0|3,0,0]=4 81 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O F15418 [0,0,1,0,0,0|3,0,0]=4 82 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O C10928 [0,0,1,0,0,0|3,0,0]=4 83 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O P10740 [0,0,0,0,0,1|1,0,0]=2 84 B8R0.6 C=CCCCC(=O)OC H11902 [1,0,1,0,0,0|2,0,0]=4 85 B8R0.7 CCCCCCC(=O)Cl A10863 [1,0,1,0,0,0|1,0,1]=4 86 B8R0.7 CCCCCCC(=O)[O-] D90422 [1,0,1,0,0,0|0,0,2]=4 87 B8R0.7 CCCCCCC(N)=O D93021 [1,0,1,0,0,0|1,0,1]=4 88 B8R0.7 CCCCOCC(=O)O AC1559 [1,0,1,0,0,0|1,0,1]=4 89 B8R0.7 O=C(O)CCCCCBr F11242 [1,0,1,0,0,0|1,0,1]=4 90 B8R0.7 O=C(O)CCCCCCl D77823 [1,0,1,0,0,0|1,0,1]=4 91 B8R0.7 O=C(O)CCCCCO S10488 [1,0,1,0,0,0|1,0,1]=4 92 B8R0.28 CC(=O)CCCC(=O)O TD8115 [1,0,1,0,0,0|0,0,0]=2 93 B8R0.28 CC(=O)CCOC(C)=O D84229 [1,0,1,0,0,0|2,0,0]=4 94 B8R0.28 CC(=O)NCCC(=O)O 50398 [1,0,1,0,0,0|1,0,0]=3 95 B8R0.28 CC(=O)SCCC(=O)O N12196 [1,0,1,0,0,0|1,0,0]=3 96 B8R0.28 CN(C)CCCC(=O)O F14882 [1,0,1,0,0,0|2,0,0]=4 97 B8R0.28 O=C(O)CCCC(=O)O D70283 [1,0,1,0,0,0|1,0,0]=3 98 B8R0.28 O=C(O)COCC(=O)O 73725 [1,0,1,0,0,0|2,0,0]=4 99 B8R0.28 O=C(O)CSCC(=O)O AT13116 [1,0,1,0,0,0|2,0,0]=4 100 B8R0.8 CCCC[C@H](C)C(=O)O D91409 [1,0,1,0,0,0|1,0,1]=4 101 B8R0.5 CCS[C@@H](C)CC(=O)O D80779 [1,0,1,0,0,0|1,0,0]=3 102 B8R0.9 CCC(=O)CCC(=O)O D93322 [1,0,1,0,0,0|0,0,0]=2 103 B8R0.9 COC(=O)CCC(=O)Cl S11982 [1,0,1,0,0,0|2,0,0]=4 104 B8R0.9 COC(=O)CCC(=O)O 73736 [1,0,1,0,0,0|1,0,0]=3 105 B8R0.9 COC(=O)CCC(C)=O H11992 [1,0,1,0,0,0|2,0,0]=4 106 B8R0.9 COC(=O)CCC(N)=O D92260 [1,0,1,0,0,0|2,0,0]=4 107 B8R0.9 COC(=O)NCC(=O)O S10575 [1,0,1,0,0,0|2,0,0]=4 108 B8R0.9 NCC(=O)CCC(=O)O 22878 [1,0,1,0,0,0|1,0,0]=3 109 B8R0.9 NCC(=O)NCC(=O)O F17229 [1,0,1,0,0,0|2,0,0]=4 110 B8R0.9 NNC(=O)CCC(=O)O D92947 [1,0,1,0,0,0|2,0,0]=4 111 B8R0.9 O=C(O)CNC(=O)CCl FD21633 [1,0,1,0,0,0|2,0,0]=4 112 B8R0.23 CC(=O)C[C@H](C)C(=O)O P10084 [1,0,1,0,0,0|0,0,0]=2 113 B8R0.23 CC(=O)N(C)CC(=O)O AB22763 [1,0,1,0,0,0|1,0,0]=3 114 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21035 [1,0,1,0,0,0|1,0,0]=3 115 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21049 [1,0,1,0,0,0|1,0,0]=3 116 B8R0.23 CC(=O)N[C@@H](C)C(=O)O FD21057 [1,0,1,0,0,0|1,0,0]=3 117 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl 67749 [1,0,1,0,0,0|2,0,0]=4 118 B8R0.23 CC(=O)O[C@@H](C)C(=O)Cl T70869 [1,0,1,0,0,0|2,0,0]=4 119 B8R0.23 CC(=O)O[C@@H](C)C(=O)O 50550 [1,0,1,0,0,0|1,0,0]=3 120 B8R0.23 CC(=O)O[C@@H](C)C(=O)O D88540 [1,0,1,0,0,0|1,0,0]=3 121 B8R0.23 CC(=O)[C@@H](C)CC(=O)O T72797 [1,0,1,0,0,0|0,0,0]=2 122 B8R0.23 CS(=O)C[C@H](N)C(=O)O D87103 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65400 [1,0,1,0,0,0|1,0,0]=3 124 B8R0.23 C[C@@H](CC(=O)O)C(=O)O 65402 [1,0,1,0,0,0|1,0,0]=3 125 B8R0.23 C[C@@H](CC(=O)O)C(=O)O H11814 [1,0,1,0,0,0|1,0,0]=3 126 B8R0.23 NC(=O)C[C@H](N)C(=O)O 20146 [1,0,1,0,0,0|2,0,0]=4 127 B8R0.23 NC(=O)C[C@H](N)C(=O)O 68743 [1,0,1,0,0,0|2,0,0]=4 128 B8R0.23 NC(=O)C[C@H](N)C(=O)O D70834 [1,0,1,0,0,0|2,0,0]=4 129 B8R0.23 NC(=O)C[C@H](N)C(=O)O F10838 [1,0,1,0,0,0|2,0,0]=4 130 B8R0.23 NC(=O)C[C@H](N)C(=O)O FD20027 [1,0,1,0,0,0|2,0,0]=4 131 B8R0.23 N[C@@H](CC(=O)O)C(=O)O 26084 [1,0,1,0,0,0|2,0,0]=4 132 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D70832 [1,0,1,0,0,0|2,0,0]=4 133 B8R0.23 N[C@@H](CC(=O)O)C(=O)O D77793 [1,0,1,0,0,0|2,0,0]=4 134 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] D97789 [1,0,1,0,0,0|2,0,0]=4 135 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 67225 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.23 O=C(O)C[C@H](O)C(=O)O 29313 [1,0,1,0,0,0|2,0,0]=4 137 B8R0.23 O=C(O)C[C@H](O)C(=O)O 68744 [1,0,1,0,0,0|2,0,0]=4 138 B8R0.23 O=C(O)C[C@H](S)C(=O)O D70319 [1,0,1,0,0,0|2,0,0]=4 139 B8R0.2 CCC(C)C(N)C(=O)O FD21837 [1,0,1,0,0,0|1,0,1]=4 140 B8R0.2 CCC(C)C(N)C(=O)O FD3037 [1,0,1,0,0,0|1,0,1]=4 141 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O 28632 [1,0,1,0,0,0|1,0,1]=4 142 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD20022 [1,0,1,0,0,0|1,0,1]=4 143 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O FD21838 [1,0,1,0,0,0|1,0,1]=4 144 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O 24109 [1,0,1,0,0,0|2,0,0]=4 145 B8R0.18 CCC(C(=O)O)C(=O)O AC1600 [1,0,1,0,0,0|1,0,1]=4 146 B8R0.18 CN[C@H](C(=O)O)C(C)C 78310 [1,0,1,0,0,0|1,0,1]=4 147 B8R0.18 CN[C@H](C(=O)O)C(C)C C10356 [1,0,1,0,0,0|1,0,1]=4 148 B8R0.18 CN[C@H](C(=O)O)C(C)C C73626 [1,0,1,0,0,0|1,0,1]=4 149 B8R1.1 N#C[C@H]1CCC(=O)C1 72729 [2,0,0,0,0,0|1,0,1]=4 150 B8R1.1 O=C1CC[C@H](CO)N1 65450 [2,0,0,0,0,0|1,0,1]=4 151 B8R1.1 O=C1CC[C@H](CO)N1 65451 [2,0,0,0,0,0|1,0,1]=4 152 B8R1.1 O=C1CC[C@H](CO)N1 78078 [2,0,0,0,0,0|1,0,1]=4 153 B8R1.1 O=C1CC[C@H](CO)O1 60100 [2,0,0,0,0,0|1,0,1]=4 154 B8R1.1 O=C1CC[C@H](CO)O1 60102 [2,0,0,0,0,0|1,0,1]=4 155 B8R1.7 CC(=O)C1CCCC1 83754 [2,0,0,0,0,0|1,0,1]=4 156 B8R1.7 NC(=O)C1CC=CC1 O11713 [2,0,0,0,0,0|1,0,1]=4 157 B8R1.7 NC(=O)C1CCCC1 20928 [2,0,0,0,0,0|1,0,1]=4 158 B8R1.7 NC(=O)[C@H]1CCNC1 37189 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.7 NC(=O)[C@H]1CCNC1 83250 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.7 O=C(Cl)C1CCCC1 D89509 [2,0,0,0,0,0|1,0,1]=4 161 B8R1.7 O=C(O)C1CC=CC1 68357 [2,0,0,0,0,0|0,0,1]=3 162 B8R1.7 O=C(O)C1CCCC1 34069 [2,0,0,0,0,0|0,0,1]=3 163 B8R1.7 O=C(O)[C@@H]1C=CCN1 60104 [2,0,0,0,0,0|1,0,1]=4 164 B8R1.7 O=C(O)[C@@H]1C=CCN1 60105 [2,0,0,0,0,0|1,0,1]=4 165 B8R1.7 O=C(O)[C@@H]1CCCN1 30759 [2,0,0,0,0,0|1,0,1]=4 166 B8R1.7 O=C(O)[C@@H]1CCCN1 69586 [2,0,0,0,0,0|1,0,1]=4 167 B8R1.7 O=C(O)[C@@H]1CCCN1 P17692 [2,0,0,0,0,0|1,0,1]=4 168 B8R1.7 O=C(O)[C@@H]1CCCO1 30805 [2,0,0,0,0,0|1,0,1]=4 169 B8R1.7 O=C(O)[C@@H]1CCCO1 66521 [2,0,0,0,0,0|1,0,1]=4 170 B8R1.7 O=C(O)[C@@H]1CCCO1 74188 [2,0,0,0,0,0|1,0,1]=4 171 B8R1.7 O=C(O)[C@@H]1CCCS1 72166 [2,0,0,0,0,0|1,0,1]=4 172 B8R1.7 O=C(O)[C@@H]1CSCN1 26064 [2,0,0,0,0,0|2,0,0]=4 173 B8R1.7 O=C(O)[C@@H]1CSCN1 D97373 [2,0,0,0,0,0|2,0,0]=4 174 B8R1.7 O=C(O)[C@@H]1CSCN1 O10231 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.7 O=C(O)[C@H]1CCNC1 27256 [2,0,0,0,0,0|1,0,0]=3 176 B8R1.7 O=C(O)[C@H]1CCNC1 65300 [2,0,0,0,0,0|1,0,0]=3 177 B8R1.7 O=C(O)[C@H]1CCNC1 65301 [2,0,0,0,0,0|1,0,0]=3 178 B8R1.7 O=C(O)[C@H]1CCNC1 65434 [2,0,0,0,0,0|1,0,0]=3 179 B8R1.7 O=C(O)[C@H]1CCOC1 66518 [2,0,0,0,0,0|1,0,0]=3 180 B8R1.50 CC1C(=O)CCC1=O P10004 [2,0,0,0,0,0|0,0,1]=3 181 B8R1.50 CN1C(=O)CC[C@@H]1O 33572 [2,0,0,0,0,0|1,0,0]=3 182 B8R1.50 C[C@H]1CCC(=O)N1C D86499 [2,0,0,0,0,0|1,0,1]=4 183 B8R1.50 O=C1CCC(=O)C1Br W12581 [2,0,0,0,0,0|1,0,1]=4 184 B8R1.50 O=C1OC[C@H](O)[C@@H]1O S11960 [2,0,0,0,0,0|2,0,0]=4 185 B10R0.3 CCCC(=O)CCCC(=O)O D93029 [0,1,1,0,0,0|0,0,0]=2 186 B10R0.3 CCOC(=O)CCCC(=O)Cl D90519 [0,1,1,0,0,0|1,0,0]=3 187 B10R0.3 CCOC(=O)CCCC(=O)O 73291 [0,1,1,0,0,0|0,0,0]=2 188 B10R0.3 CCOC(=O)CCCC(C)=O 95732 [0,1,1,0,0,0|1,0,0]=3 189 B10R0.44 COC(=O)C[C@@H](C)CC(=O)O 69426 [0,1,1,0,0,0|1,0,0]=3 190 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 28878 [0,1,1,0,0,0|1,0,0]=3 191 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O 43933 [0,1,1,0,0,0|1,0,0]=3 192 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O FD21482 [0,1,1,0,0,0|1,0,0]=3 193 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O 68605 [0,1,1,0,0,0|2,0,0]=4 194 B10R0.59 COC(=O)CNCC(=O)OC O11724 [0,1,1,0,0,0|2,0,0]=4 195 B10R0.59 COC(=O)CSCC(=O)OC W18648 [0,1,1,0,0,0|2,0,0]=4 196 B10R0.82 COC(=O)CC[C@H](N)C(=O)O 23115 [0,1,1,0,0,0|1,0,0]=3 197 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21425 [0,1,1,0,0,0|1,0,0]=3 198 B10R0.82 COC(=O)CC[C@H](N)C(=O)O FD21478 [0,1,1,0,0,0|1,0,0]=3 199 B10R0.82 COC(=O)CC[C@H](N)C(N)=O FD21446 [0,1,1,0,0,0|2,0,0]=4 200 B10R0.84 CN[C@@H](CCC(=O)O)C(=O)O F15110 [0,1,1,0,0,0|1,0,0]=3 201 B10R0.85 CCCC[C@H](CC)C(=O)OC D93232 [0,1,1,0,0,0|1,0,1]=4 202 B10R0.46 COC(=O)C[C@H](C)C(=O)OC 70020 [0,1,1,0,0,0|1,0,0]=3 203 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 20564 [0,1,1,0,0,0|2,0,0]=4 204 B10R0.46 COC(=O)C[C@H](N)C(=O)OC 39370 [0,1,1,0,0,0|2,0,0]=4 205 B10R0.46 COC(=O)C[C@H](N)C(=O)OC W13852 [0,1,1,0,0,0|2,0,0]=4 206 B10R0.46 COC(=O)C[C@H](O)C(=O)OC D91488 [0,1,1,0,0,0|2,0,0]=4 207 B10R0.46 COC(=O)C[C@H](O)C(=O)OC O10223 [0,1,1,0,0,0|2,0,0]=4 208 B10R0.141 COC(=O)C(C)(C)CC(=O)O A10529 [0,1,1,0,0,0|1,0,0]=3 209 B10R1.14 COC(=O)C1CCC(N)C1 31701 [1,1,0,0,0,0|1,0,1]=4 210 B10R1.14 COC(=O)N1CCC(=O)C1 O11916 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64392 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 64393 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 AB3989 [1,1,0,0,0,0|1,0,0]=3 214 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 P15683 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 64818 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 80143 [1,1,0,0,0,0|0,0,0]=2 217 B10R1.58 CN1C[C@@H](C(N)=O)CC1=O 71057 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 80098 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.359 O=C(O)[C@H]1CCS(=O)(=O)C1 F12823 [1,1,0,0,0,0|1,0,0]=3 220 B10R1.470 CN1CC[C@](C)(C(=O)O)C1 78872 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O 42937 [1,1,0,0,0,0|1,0,1]=4 222 B10R1.13 CC(=O)N1CCC(=O)CC1 20024 [0,0,1,1,0,0|2,0,0]=4 223 B10R1.13 CC1CCC(C(=O)O)CC1 S12052 [0,0,1,1,0,0|1,0,1]=4 224 B10R1.13 CN1CCC(C(=O)O)CC1 64217 [0,0,1,1,0,0|2,0,0]=4 225 B10R1.13 CN1CCC(C(=O)O)CC1 AB1543 [0,0,1,1,0,0|2,0,0]=4 226 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 71079 [0,0,1,1,0,0|1,0,1]=4 227 B10R1.13 NC1CCC(C(=O)O)CC1 20592 [0,0,1,1,0,0|1,0,1]=4 228 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 51515 [0,0,1,1,0,0|1,0,1]=4 229 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51510 [0,0,1,1,0,0|1,0,1]=4 230 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 51511 [0,0,1,1,0,0|1,0,1]=4 231 B10R1.13 O=C(O)C1CCC(O)CC1 85341 [0,0,1,1,0,0|0,0,2]=4 232 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 P10288 [0,0,1,1,0,0|0,0,2]=4 233 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 P10217 [0,0,1,1,0,0|0,0,2]=4 234 B10R1.13 O=C1CCC(C(=O)O)CC1 50103 [0,0,1,1,0,0|0,0,0]=2 235 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 37581 [0,0,1,1,0,0|1,0,0]=3 236 B10R1.408 COC(=O)C1CC1C(=O)O P15322 [0,0,1,1,0,0|1,0,0]=3 237 B10R1.61 CC1NCCCC1C(=O)O C71830 [0,0,1,1,0,0|1,0,1]=4 238 B10R1.348 O=C(O)C1CCCCCC1 O11712 [0,0,1,1,0,0|1,0,1]=4 239 B10R1.348 O=C(O)[C@H]1CCCNCC1 37184 [0,0,1,1,0,0|1,0,1]=4 240 B10R1.64 NC(=O)CN1CCCC1=O 43142 [0,0,1,1,0,0|2,0,0]=4 241 B10R1.64 O=C(O)CN1CCCC1=O 24490 [0,0,1,1,0,0|1,0,0]=3 242 B10R1.424 COC(=O)C1(C)CC(=O)C1 38887 [0,0,1,1,0,0|2,0,0]=4 243 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O P20583 [0,0,1,1,0,0|1,0,0]=3 244 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O P10059 [0,0,1,1,0,0|1,0,0]=3 245 B8R1.23 C=C1CC(C(=O)O)C1 66669 [1,0,0,0,1,0|1,0,0]=3 246 B8R1.23 CC1CC(C(=O)O)C1 84166 [1,0,0,0,1,0|1,0,1]=4 247 B8R1.23 CN1CC(C(=O)O)C1 26233 [1,0,0,0,1,0|2,0,0]=4 248 B8R1.23 O=C(O)C1CC(Cl)C1 P10434 [1,0,0,0,1,0|1,0,1]=4 249 B8R1.23 O=C(O)C1CC(O)C1 25649 [1,0,0,0,1,0|0,0,2]=4 250 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 38898 [1,0,0,0,1,0|0,0,2]=4 251 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 P12186 [1,0,0,0,1,0|0,0,2]=4 252 B8R1.23 O=C1CC(C(=O)O)C1 64806 [1,0,0,0,1,0|0,0,0]=2 253 B8R1.23 O=C1C[C@@H](C(=O)O)N1 31388 [1,0,0,0,1,0|1,0,0]=3 254 B10R0.55 COC(=O)CCCCC(=O)Cl D81982 [0,0,1,0,0,1|2,0,0]=4 255 B10R0.55 COC(=O)CCCCC(=O)O O11605 [0,0,1,0,0,1|1,0,0]=3 256 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 I11596 [1,0,0,0,0,1|2,0,0]=4 257 B10R1.113 CN1CCC[C@H](C(=O)O)C1 29837 [1,0,0,0,0,1|2,0,0]=4 258 B10R1.113 CN1CCC[C@H](C(=O)O)C1 AB1542 [1,0,0,0,0,1|2,0,0]=4 259 B10R1.113 NC1CCCC(C(=O)O)C1 O10942 [1,0,0,0,0,1|1,0,1]=4 260 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 P11018 [1,0,0,0,0,1|1,0,1]=4 261 B10R1.113 O=C(O)C1CNCC(O)C1 30497 [1,0,0,0,0,1|0,0,2]=4 262 B10R1.113 O=C(O)C1CNCC(O)C1 69575 [1,0,0,0,0,1|0,0,2]=4 263 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49444 [1,0,0,0,0,1|1,0,0]=3 264 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49447 [1,0,0,0,0,1|1,0,0]=3 265 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 49449 [1,0,0,0,0,1|1,0,0]=3 266 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 26238 [1,0,0,0,0,1|0,0,0]=2