0 B8R0.23 CC(=O)C(=O)OC(C)C P65400 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,0,0,0,0,0|0,0,0]=0 6 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,0,0,0,0,0|1,0,0]=1 7 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,0,0,0,0,0|1,0,0]=1 9 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,0,0,0,0,0|1,0,0]=1 10 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.23 C[C@@H](CN(C)C)[N+](=O)[O-] D65436 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,0,0,0,0,0|2,0,1]=3 13 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,0,0,0,0,0|0,0,1]=2 16 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,0,0,0,0,0|0,0,1]=2 17 B7R0.2 CN(C)C[C@H](O)CO D68905 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,0,0,0,0|0,0,2]=3 19 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,0,0,0,0|0,0,2]=3 20 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,0,0,0,0|0,0,2]=3 21 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,0,0,0,0|0,0,2]=3 22 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,0,0,0,0|0,0,2]=3 23 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,0,0,0,0|0,0,0]=1 27 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,0,0,0,0|1,0,0]=2 28 B7R0.5 CCOC(=O)C(=O)O E36772 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,0,0,0,0|1,0,0]=2 38 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,0,0,0,0|1,0,0]=2 39 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,0,0,0,0|2,0,0]=3 40 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,0,0,0,0|1,0,0]=2 42 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,0,0,0,0|1,0,0]=2 43 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,0,0,0,0|1,0,0]=2 44 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,0,0,0,0|1,0,0]=2 45 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,0,0,0,0|1,0,0]=2 46 B7R0.6 CC(=O)CCC(C)=O H64912 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.6 CC(=O)NNC(C)C P40426 [1,0,0,0,0,0|3,0,0]=4 48 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,0,0,0,0|1,0,0]=2 49 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,0,0,0,0,0|2,0,1]=4 50 B7R0.6 NC(=O)CCC(=O)O A63078 [1,0,0,0,0,0|2,0,1]=4 51 B7R0.6 O=C(O)CCC(F)F D59737 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,1,0,0,0,0|0,0,0]=1 53 B9R0.23 CCC(=O)[C@@H](C)CN(C)C D47174 [0,1,0,0,0,0|3,0,0]=4 54 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,1,0,0,0,0|2,0,1]=4 55 B9R0.23 COC(=O)[C@@H](N)CC(C)C M68966 [0,1,0,0,0,0|0,0,0]=1 56 B9R0.23 COC(=O)[C@@H](O)CC(C)C M61122 [0,1,0,0,0,0|1,0,0]=2 57 B9R0.23 COC(=O)[C@H](N)CC(C)C M68964 [0,1,0,0,0,0|0,0,0]=1 58 B9R0.39 CC(C)C=C(C#N)C(=O)O C46405 [0,1,0,0,0,0|0,0,3]=4 59 B9R0.39 CC(C)C[C@@H](CN)C(=O)O A43933 [0,1,0,0,0,0|0,0,0]=1 60 B9R0.39 CC(C)C[C@H](CN)C(=O)O A43932 [0,1,0,0,0,0|0,0,0]=1 61 B9R0.42 COC(=O)C[C@@H](C)C(=O)O M41477 [0,1,0,0,0,0|2,0,1]=4 62 B9R0.42 COC(=O)C[C@@H](N)C(=O)O A61919 [0,1,0,0,0,0|1,0,1]=3 63 B9R0.42 COC(=O)C[C@H](N)C(=O)O M60837 [0,1,0,0,0,0|1,0,1]=3 64 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,0,0,0,0|0,0,0]=1 65 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,0,0,0,0|0,0,0]=1 66 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,1,0,0|2,0,0]=3 68 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,1,0,0|2,0,0]=3 69 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,1,0,0|2,0,0]=3 70 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,1,0,0|2,0,0]=3 71 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,1,0,0|2,0,0]=3 72 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,1,0,0|2,0,0]=3 73 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,0,0,1,0,0|2,0,0]=3 74 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,1,0,0|2,0,0]=3 75 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,1,0,0|2,0,0]=3 77 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,1,0,0|2,0,0]=3 78 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,1,0,0|2,0,0]=3 79 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,1,0,0|2,0,0]=3 80 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,1,0,0|1,0,0]=2 81 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,1,0,0|1,0,0]=2 82 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,1,0,0|2,0,0]=3 85 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,1,0,0|2,0,0]=3 86 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,1,0,0|1,0,0]=2 87 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,1,0,0|2,0,0]=3 88 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,1,0,0|1,0,0]=2 89 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,1,0,0|1,0,0]=2 90 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,1,0,0|1,0,0]=2 91 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,1,0,0|1,0,0]=2 92 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,1,0,0|1,0,0]=2 93 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,1,0,0|1,0,0]=2 94 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,1,0,0|1,0,0]=2 95 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,1,0,0|1,0,0]=2 96 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,1,0,0|1,0,0]=2 97 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,1,0,0|1,0,0]=2 98 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,1,0,0|1,0,0]=2 99 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,1,0,0|1,0,0]=2 100 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,1,0,0|1,0,0]=2 101 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,1,0,0|1,0,0]=2 102 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,1,0,0|1,0,0]=2 103 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,1,0,0|1,0,0]=2 104 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,1,0,0|2,0,1]=4 105 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,1,0,0|2,0,1]=4 106 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,1,0,0|2,0,1]=4 107 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,1,0,0|1,0,1]=3 108 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,0,0,1,0,0|3,0,0]=4 109 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,0,1,0,0|0,0,0]=1 110 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,0,1,0,0|0,0,0]=1 111 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,0,0,1,0,0|1,0,2]=4 112 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,0,0,1,0,0|2,0,1]=4 113 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [0,0,0,1,0,0|2,0,0]=3 114 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [0,0,0,1,0,0|2,0,0]=3 115 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [0,0,0,1,0,0|2,0,0]=3 116 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [0,0,0,1,0,0|1,0,0]=2 117 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [0,0,0,1,0,0|1,0,0]=2 119 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [0,0,0,1,0,0|2,0,0]=3 120 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [0,0,0,1,0,0|2,0,0]=3 121 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [0,0,0,1,0,0|2,0,0]=3 122 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F D60171 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.164 CC1(C)C=C(C(=O)O)C1 D6362 [0,0,0,1,0,0|1,0,1]=3 124 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,0,0,1,0,0|1,0,0]=2 125 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,0,0,1,0,0|2,0,0]=3 126 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,0,0,1,0,0|2,0,0]=3 129 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,0,0,1,0,0|2,0,1]=4 130 B9R1.164 O=C(O)C1CC(F)(F)C1 D6208 [0,0,0,1,0,0|3,0,0]=4 131 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,0,0,0,1,0|1,0,2]=4 132 B7R0.16 CC(C)C(N)C(C)C D46525 [0,0,0,0,1,0|2,0,1]=4 133 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,0,0,1,0|0,0,0]=1 134 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,0,0,0,1,0|1,0,0]=2 135 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,0,0,0,1,0|1,0,0]=2 136 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,0,0,0,1,0|1,0,0]=2 137 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,0,0,0,1,0|1,0,0]=2 138 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,0,0,0,1,0|1,0,0]=2 139 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,0,0,0,1,0|2,0,0]=3 140 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,0,0,0,1,0|1,0,0]=2 141 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,0,0,0,0,1|1,0,1]=3 142 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,0,0,0,0,1|0,0,0]=1 143 B9R0.7 N=C(N)NC[C@H](N)C(=O)O A40356 [0,0,0,0,0,1|2,0,1]=4 144 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,0,0,0,0,1|2,0,1]=4 145 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,0,0,0,0,1|0,0,0]=1 146 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,0,0,0,0,1|0,0,0]=1 147 B6R0.1 CCC[C@H](N)CO A40443 [2,0,0,0,0,0|0,0,1]=3 148 B6R0.1 CCC[C@H](N)CO A66421 [2,0,0,0,0,0|0,0,1]=3 149 B6R0.2 CC(C)CB(O)O M4460 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.2 CC(C)C[C@H](C)N M43511 [2,0,0,0,0,0|0,0,1]=3 151 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [2,0,0,0,0,0|2,0,0]=4 153 B6R0.4 C#CCCC(=O)O P68088 [2,0,0,0,0,0|0,0,2]=4 154 B6R0.4 C=CCCC(=O)O P37823 [2,0,0,0,0,0|0,0,2]=4 155 B6R0.4 CC(=O)CCCCl C68599 [2,0,0,0,0,0|2,0,0]=4 156 B6R0.4 CC(C)CCCO M67872 [2,0,0,0,0,0|0,0,1]=3 157 B6R0.4 CCCCC(=N)N P41343 [2,0,0,0,0,0|2,0,0]=4 158 B6R0.4 CCCCC(=O)[O-] S38573 [2,0,0,0,0,0|0,0,1]=3 159 B6R0.4 CCCOC(N)=O P40264 [2,0,0,0,0,0|2,0,0]=4 160 B6R0.4 CNCCC(=O)O M40350 [2,0,0,0,0,0|1,0,0]=3 161 B6R0.4 COCCC(=O)O M40255 [2,0,0,0,0,0|1,0,0]=3 162 B6R0.4 N#CCCC(=O)O C69146 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.4 NCCCC(N)=O A40304 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.4 O=C(O)CCCBr B39154 [2,0,0,0,0,0|1,0,0]=3 165 B6R0.4 O=C(O)CCCCl C40232 [2,0,0,0,0,0|1,0,0]=3 166 B6R0.3 C=C[C@H](N)C(=O)O A40334 [2,0,0,0,0,0|0,0,2]=4 167 B6R0.3 CC[C@@H](C)C(=O)O M40381 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.3 CC[C@@H](N)C(N)=O A40305 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.3 CC[C@H](N)C(=O)O A40349 [2,0,0,0,0,0|0,0,0]=2 170 B6R0.3 CC[C@H](N)C(=O)O A68376 [2,0,0,0,0,0|0,0,0]=2 171 B6R0.3 CC[C@H](N)C(N)=O A64477 [2,0,0,0,0,0|1,0,0]=3 172 B6R0.3 CC[C@H](O)C(=O)O H23105 [2,0,0,0,0,0|1,0,0]=3 173 B6R0.3 CN[C@@H](C)C(=O)O M68914 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.3 CN[C@H](C)C(=O)O M63076 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.3 CO[C@@H](C)C(=O)O M11053 [2,0,0,0,0,0|2,0,0]=4 176 B6R0.3 CO[C@@H](C)C(=O)O M69861 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.3 CO[C@H](C)C(=O)O M8894 [2,0,0,0,0,0|2,0,0]=4 178 B6R0.3 C[C@H](CN)C(=O)O A40352 [2,0,0,0,0,0|2,0,0]=4 179 B6R0.3 NC(=O)[C@H](N)CO A39930 [2,0,0,0,0,0|2,0,0]=4 180 B6R0.3 NC[C@@H](O)C(=O)O A39878 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.3 NC[C@H](N)C(=O)O D39929 [2,0,0,0,0,0|1,0,0]=3 182 B6R0.3 NC[C@H](O)C(=O)O S39877 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.3 N[C@@H](CS)C(=O)O A39926 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.3 N[C@H](CCl)C(=O)O A39869 [2,0,0,0,0,0|1,0,0]=3 185 B6R0.3 N[C@H](CCl)C(=O)O A63558 [2,0,0,0,0,0|1,0,0]=3 186 B6R0.3 N[C@H](CS)C(=O)O A37860 [2,0,0,0,0,0|1,0,0]=3 187 B6R0.3 N[C@H](CS)C(=O)O C67456 [2,0,0,0,0,0|1,0,0]=3 188 B6R0.3 N[C@H](CS)C(=O)O C69203 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.3 O=C(O)[C@@H](O)CO D38851 [2,0,0,0,0,0|2,0,0]=4 191 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [1,1,0,0,0,0|0,0,2]=4 192 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [1,1,0,0,0,0|0,0,0]=2 193 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [1,1,0,0,0,0|0,0,0]=2 194 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [1,1,0,0,0,0|2,0,0]=4 195 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [1,1,0,0,0,0|1,0,0]=3 196 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [1,1,0,0,0,0|0,0,1]=3 197 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [1,1,0,0,0,0|0,0,1]=3 198 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [1,1,0,0,0,0|0,0,0]=2 199 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [1,1,0,0,0,0|1,0,1]=4 200 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [1,1,0,0,0,0|0,0,0]=2 201 B8R0.9 COC(=O)CCC(=O)O M37827 [1,1,0,0,0,0|1,0,1]=4 202 B8R0.29 CC(C)(C)NCC(=O)O B43496 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.29 CC(C)(C)OCC(=O)O B41556 [1,1,0,0,0,0|1,0,0]=3 204 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [1,1,0,0,0,0|2,0,0]=4 205 B8R0.29 O=C(O)CCC(F)(F)F T23562 [1,1,0,0,0,0|2,0,0]=4 206 B8R0.18 CC(C)[C@@H](CN)C(=O)O A41589 [0,1,0,0,1,0|0,0,0]=2 207 B8R0.18 CC(C)[C@H](CN)C(=O)O A41588 [0,1,0,0,1,0|0,0,0]=2 208 B8R0.18 CN[C@H](C(=O)O)C(C)C M60653 [0,1,0,0,1,0|0,0,0]=2 209 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O M68349 [0,1,0,0,1,0|1,0,0]=3 210 B8R0.27 CC(C)(C)C(=O)C(=O)O D41469 [0,1,0,0,1,0|1,0,1]=4 211 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A22282 [0,1,0,0,1,0|0,0,0]=2 212 B8R0.27 CC(C)(C)[C@H](N)C(=O)O A67484 [0,1,0,0,1,0|0,0,0]=2 213 B8R0.27 CC(C)(C)[C@H](N)C(N)=O A43510 [0,1,0,0,1,0|1,0,0]=3 214 B8R0.27 CC(C)(C)[C@H](O)C(=O)O H41560 [0,1,0,0,1,0|1,0,0]=3 215 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O A40416 [0,1,0,0,1,0|0,0,0]=2 216 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O A24088 [0,1,0,0,1,0|0,0,0]=2 217 B8R0.27 CC(C)(S)[C@H](N)C(=O)O A69092 [0,1,0,0,1,0|0,0,0]=2 218 B8R0.37 CC(C)[C@@](C)(N)C(=O)O A41587 [0,1,0,0,1,0|0,0,0]=2 219 B8R0.37 CC(C)[C@](C)(N)C(=O)O A24143 [0,1,0,0,1,0|0,0,0]=2 220 B8R0.37 CC(C)[C@](C)(N)C(N)=O A39208 [0,1,0,0,1,0|1,0,0]=3 221 B10R0.13 CC(=O)O[C@H](C)[C@H](N)C(=O)O A41520 [0,1,0,0,0,1|1,0,1]=4 222 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O A69603 [0,1,0,0,0,1|1,0,1]=4 223 B10R0.82 COC(=O)CC[C@H](N)C(=O)O A68700 [0,1,0,0,0,1|1,0,1]=4 224 B10R0.92 CC(C)(C)OC[C@@H](N)C(=O)O A61567 [0,1,0,0,0,1|0,0,0]=2 225 B10R0.92 CC(C)(C)OC[C@H](N)C(=O)O B68329 [0,1,0,0,0,1|0,0,0]=2 226 B10R0.92 CC(C)(C)SC[C@@H](N)C(=O)O A46521 [0,1,0,0,0,1|0,0,0]=2 227 B10R0.44 COC(=O)CC(=O)CC(C)C M47097 [0,1,0,0,0,1|1,0,1]=4 228 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC D38517 [0,2,0,0,0,0|1,0,1]=4 229 B10R0.46 COC(=O)C[C@H](N)C(=O)OC A61977 [0,2,0,0,0,0|1,0,1]=4 230 B10R0.46 COC(=O)C[C@H](N)C(=O)OC D68297 [0,2,0,0,0,0|1,0,1]=4 231 B10R0.54 CC[C@@H](NC(C)C)C(=O)OC M47178 [0,2,0,0,0,0|2,0,0]=4 232 B10R0.23 CC(C)C[C@@H](NC=O)C(=O)O F60635 [0,2,0,0,0,0|0,0,0]=2 233 B10R0.23 CC(C)C[C@H](NC=O)C(=O)O F60630 [0,2,0,0,0,0|0,0,0]=2 234 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O F66988 [0,2,0,0,0,0|0,0,0]=2 235 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [1,0,0,1,0,0|1,0,1]=4 236 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [1,0,0,1,0,0|1,0,1]=4 237 B8R1.31 CC(C)C1OCC1N P60232 [1,0,0,1,0,0|0,0,1]=3 238 B8R1.53 CC1(C)CC(CO)C1 D13465 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.53 CC1(C)C[C@H](CO)O1 D1980 [1,0,0,1,0,0|1,0,1]=4 240 B8R1.62 NC1(CO)CC(F)C1 A14415 [1,0,0,1,0,0|1,0,1]=4 241 B8R1.62 NC1(CO)CC(F)C1 A27637 [1,0,0,1,0,0|1,0,1]=4 242 B8R1.5 C[C@H]1CCCCC1=O M68370 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.5 C[C@H]1CCCNC1=O P23372 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.5 NN1CCCCC1=O A41312 [1,0,0,1,0,0|2,0,0]=4 245 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [1,0,0,1,0,0|1,0,1]=4 247 B8R1.5 N[C@@H]1CCCNC1=O A41314 [1,0,0,1,0,0|1,0,0]=3 248 B8R1.5 N[C@H]1CCCCC1=O A63504 [1,0,0,1,0,0|1,0,0]=3 249 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [1,0,0,1,0,0|1,0,1]=4 250 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [1,0,0,1,0,0|1,0,1]=4 251 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [1,0,0,1,0,0|1,0,1]=4 252 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [1,0,0,1,0,0|1,0,1]=4 253 B8R1.5 N[C@H]1CCCNC1=O A38933 [1,0,0,1,0,0|1,0,0]=3 254 B8R1.5 N[C@H]1CCCNC1=O A41313 [1,0,0,1,0,0|1,0,0]=3 255 B8R1.5 N[C@H]1CCCNC1=O A64847 [1,0,0,1,0,0|1,0,0]=3 256 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [1,0,0,1,0,0|2,0,0]=4 257 B8R1.5 O=C1NCCC[C@@H]1O H36756 [1,0,0,1,0,0|2,0,0]=4 258 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,1,0,0|2,0,0]=4 259 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,1,0,0|2,0,0]=4 260 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [1,0,0,1,0,0|2,0,0]=4 261 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,1,0,0|1,0,0]=3 262 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,1,0,0|1,0,0]=3 263 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,1,0,0|1,0,0]=3 264 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,1,0,0|1,0,0]=3 265 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,1,0,0|1,0,1]=4 266 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,1,0,0|1,0,0]=3 267 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,1,0,0|0,0,2]=4 268 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,1,0,0|0,0,2]=4 269 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,1,0,0|0,0,0]=2 270 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,1,0,0|1,0,0]=3 271 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,1,0,0|1,0,0]=3 272 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,1,0,0|1,0,0]=3 273 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,1,0,0|2,0,0]=4 274 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,1,0,0|2,0,0]=4 275 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,1,0,0|2,0,0]=4 276 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,1,0,0|1,0,0]=3 277 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,1,0,0|1,0,0]=3 278 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,1,0,0|2,0,0]=4 279 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,1,0,0|2,0,0]=4 280 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,1,0,0|2,0,0]=4 281 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,1,0,0|2,0,0]=4 282 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,1,0,0|2,0,0]=4 283 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,1,0,0|2,0,0]=4 284 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,1,0,0|1,0,0]=3 285 B8R1.23 CC1CC(C(=O)O)C1 M14949 [1,0,0,1,0,0|1,0,0]=3 286 B8R1.23 CN1CC(C(=O)O)C1 M0190 [1,0,0,1,0,0|2,0,0]=4 287 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [1,0,0,1,0,0|1,0,0]=3 288 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [1,0,0,1,0,0|1,0,0]=3 289 B8R1.23 NC1CC(C(=O)O)C1 A12181 [1,0,0,1,0,0|2,0,0]=4 290 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [1,0,0,1,0,0|2,0,0]=4 291 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [1,0,0,1,0,0|2,0,0]=4 292 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [1,0,0,1,0,0|2,0,0]=4 293 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [1,0,0,1,0,0|2,0,0]=4 294 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [1,0,0,1,0,0|2,0,0]=4 295 B8R1.23 O=C(O)C1CC(F)C1 F0317 [1,0,0,1,0,0|2,0,0]=4 296 B8R1.23 O=C(O)C1CC(O)C1 H12369 [1,0,0,1,0,0|2,0,0]=4 297 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [1,0,0,1,0,0|2,0,0]=4 298 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [1,0,0,1,0,0|2,0,0]=4 299 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [1,0,0,1,0,0|2,0,0]=4 300 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [1,0,0,1,0,0|2,0,0]=4 301 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [1,0,0,1,0,0|2,0,0]=4 302 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [1,0,0,1,0,0|1,0,1]=4 303 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [1,0,0,1,0,0|0,0,2]=4 304 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [1,0,0,1,0,0|0,0,0]=2 305 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [1,0,0,1,0,0|0,0,0]=2 306 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [1,0,0,1,0,0|1,0,1]=4 307 B8R1.78 CC1(C(=O)O)CCC1 M11732 [1,0,0,1,0,0|1,0,0]=3 308 B8R1.78 CC1(C(=O)O)CNC1 M29556 [1,0,0,1,0,0|2,0,0]=4 309 B8R1.78 CC1(C(=O)O)COC1 M6214 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.78 NC1(C(=O)O)CCC1 A10609 [1,0,0,1,0,0|0,0,0]=2 311 B8R1.78 NC1(C(=O)O)CCC1 A26979 [1,0,0,1,0,0|0,0,0]=2 312 B8R1.78 NC1(C(=O)O)CNC1 A6058 [1,0,0,1,0,0|1,0,0]=3 313 B8R1.78 NC1(C(=O)O)COC1 A5828 [1,0,0,1,0,0|1,0,0]=3 314 B8R1.78 O=C(O)C1(F)CNC1 F11481 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.78 O=C(O)C1(O)COC1 H60052 [1,0,0,1,0,0|2,0,0]=4 316 B8R1.3 CC1CCC(=O)CC1 M39288 [1,0,0,1,0,0|1,0,0]=3 317 B8R1.3 CC1CCC(O)CC1 M61965 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.3 CN1CCC(=O)CC1 M28326 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [1,0,0,1,0,0|2,0,0]=4 320 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [1,0,0,1,0,0|1,0,0]=3 321 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.3 NC1CCC(=O)CC1 A38581 [1,0,0,1,0,0|2,0,0]=4 323 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [1,0,0,1,0,0|2,0,0]=4 324 B8R1.3 O=C1CCC(O)CC1 H18838 [1,0,0,1,0,0|2,0,0]=4 325 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [1,0,0,1,0,0|0,0,2]=4 327 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [1,0,0,1,0,0|0,0,0]=2 328 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [1,0,0,1,0,0|0,0,0]=2 329 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [1,0,0,1,0,0|1,0,0]=3 330 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,0,0,1,1,0|2,0,0]=4 333 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,0,0,1,0,1|1,0,0]=3 334 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,0,0,1,0,1|2,0,0]=4 335 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,0,0,1,0,1|2,0,0]=4 336 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,0,0,1,0,1|1,0,0]=3 337 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,0,0,1,0,1|2,0,0]=4 338 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,0,0,1,0,1|2,0,0]=4 339 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,0,0,1,0,1|2,0,0]=4 340 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,0,0,1,0,1|2,0,0]=4 341 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,0,0,1,0,1|2,0,0]=4 342 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,0,0,1,0,1|1,0,0]=3 343 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,0,0,1,0,1|1,0,0]=3 344 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,0,0,1,0,1|2,0,0]=4 345 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,0,0,1,0,1|1,0,0]=3 346 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,0,0,1,0,1|1,0,0]=3 347 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,0,0,1,0,1|2,0,0]=4 348 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,0,0,1,0,1|1,0,1]=4 349 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,0,0,1,0,1|1,0,1]=4 350 B10R1.349 CC(C)N1CC(C(=O)O)C1 P43849 [0,0,0,1,0,1|1,0,0]=3 351 B10R1.349 CN(C)C1CC(C(=O)O)C1 D20661 [0,0,0,1,0,1|2,0,0]=4 352 B10R1.359 CC1(C)OC[C@@H](C(=O)[O-])O1 P61519 [0,0,0,1,0,1|1,0,1]=4 353 B10R1.359 CC1(C)OC[C@H](C(=O)O)O1 D37192 [0,0,0,1,0,1|1,0,0]=3 354 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 H69795 [0,0,0,1,0,1|1,0,0]=3 355 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [0,0,0,1,0,1|2,0,0]=4 356 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [0,0,0,1,0,1|2,0,0]=4 357 B10R1.310 CN1CC(C)(C)[C@H]1C(=O)O A30113 [0,0,0,1,0,1|2,0,0]=4 358 B10R1.560 CC1(C)CC(=O)C(C)(C)C1 T13506 [0,1,0,1,0,0|2,0,0]=4 359 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 D11658 [0,1,0,1,0,0|2,0,0]=4 360 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 A7903 [0,1,0,1,0,0|1,0,0]=3 361 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,1,0,0|2,0,0]=4 362 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,1,0,0|2,0,0]=4 363 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,1,0,0|2,0,0]=4 364 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,1,0,0|2,0,0]=4 365 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,1,0,0|2,0,0]=4 366 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,1,0,0|2,0,0]=4 367 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,1,0,0|1,0,0]=3 368 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,1,0,0|1,0,0]=3 369 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,1,0,0|1,0,0]=3 370 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,1,0,0|2,0,0]=4 371 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,1,0,0|2,0,0]=4 372 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,1,0,0|2,0,0]=4 373 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,1,0,0|1,0,0]=3 374 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,1,0,0|1,0,0]=3 375 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,1,0,0|1,0,0]=3 376 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,1,0,0|2,0,0]=4 377 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,1,0,0|2,0,0]=4 378 B10R1.413 COC(=O)C1=CC(C)(C)C1 M12955 [0,1,0,1,0,0|1,0,1]=4 379 B10R1.413 COC(=O)C1CC(C)(C)C1 M10532 [0,1,0,1,0,0|1,0,0]=3 380 B10R1.424 COC(=O)C1(C)CC(O)C1 M11706 [0,1,0,1,0,0|2,0,0]=4 381 B10R1.424 COC(=O)C1(F)CC(O)C1 M60333 [0,1,0,1,0,0|2,0,0]=4 382 B10R1.424 COC(=O)[C@]1(C)C[C@@H](O)C1 M14904 [0,1,0,1,0,0|2,0,0]=4 383 B10R1.424 COC(=O)[C@]1(C)C[C@H](O)C1 M14903 [0,1,0,1,0,0|2,0,0]=4 384 B10R1.424 COC(=O)[C@]1(F)C[C@@H](N)C1 M59811 [0,1,0,1,0,0|2,0,0]=4 385 B10R1.424 COC(=O)[C@]1(F)C[C@H](N)C1 M59886 [0,1,0,1,0,0|2,0,0]=4 386 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,1,0,1,0,0|2,0,0]=4 387 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,1,0,1,0,0|2,0,0]=4 388 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,1,0,1,0,0|0,0,0]=2 389 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,1,0,1,0,0|0,0,0]=2 390 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,1,0,1,0,0|0,0,0]=2 391 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,1,0,1,0,0|0,0,0]=2 392 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,1,0,1,0,0|2,0,0]=4 393 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,1,0,1,0,0|2,0,0]=4 394 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,1,0,1,0,0|2,0,0]=4 395 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,1,0,1,0,0|2,0,0]=4 399 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,1,0,1,0,0|1,0,0]=3 401 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,1,0,1,0,0|2,0,0]=4 402 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.361 CC(C)N1CC[C@H]1C(=O)O I29786 [0,1,0,1,0,0|2,0,0]=4 404 B10R1.204 N[C@@H](CC1CCC1)C(=O)O A64838 [0,1,0,1,0,0|0,0,0]=2 405 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,2,0,0|2,0,0]=4 406 B10R2.348 O=C(O)C12CC(CN1)C2 A15220 [0,0,0,2,0,0|0,0,0]=2 407 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,2,0,0|0,0,0]=2 408 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,2,0,0|0,0,0]=2 409 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,2,0,0|0,0,0]=2 410 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,2,0,0|1,0,0]=3 411 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,2,0,0|0,0,0]=2 412 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,2,0,0|0,0,0]=2 413 B10R2.633 O=C(O)C1CC1C2CC2 C26303 [0,0,0,2,0,0|1,0,0]=3 414 B10R2.636 CC12CC(C(=O)O)(C1)C2 M59824 [0,0,0,2,0,0|1,0,0]=3 415 B10R2.636 NC12CC(C(=O)O)(C1)C2 A13847 [0,0,0,2,0,0|2,0,0]=4 416 B10R2.636 O=C(O)C12CC(Cl)(C1)C2 C59657 [0,0,0,2,0,0|2,0,0]=4 417 B10R2.636 O=C(O)C12CC(O)(C1)C2 H59704 [0,0,0,2,0,0|2,0,0]=4 418 B8R0.28 CC(=O)CCC=C(C)C M68353 [1,0,0,0,0,1|1,0,1]=4 419 B8R0.28 CC(=O)CCCC(=O)O A41468 [1,0,0,0,0,1|1,0,1]=4 420 B8R0.28 CC(=O)NCCC(=O)O A60540 [1,0,0,0,0,1|1,0,1]=4 421 B8R0.28 CN(C)CCCC(=O)O D43497 [1,0,0,0,0,1|1,0,0]=3 422 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [1,0,0,0,0,1|1,0,1]=4