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DB04734 [0,1,0,0,0,0|1,0,2]=4 18 B8R0.23 NC(=O)C[C@@H](N)C(=O)O DB03943 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O DB02153 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.23 N[C@H](CC(=O)O)C(=O)O DB02655 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.23 O=C(O)CN(O)C(=O)O DB02954 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.23 O=C(O)C[C@@H](O)C(=O)O DB03499 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.23 O=C([O-])CC(=O)C(=O)O DB02637 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.23 O=C([O-])[C@H](O)\C=C(\[O-])O DB03343 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.23 [C@H](N)(C[SeH](=O)=O)C(=O)O DB02442 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.29 O=C(O)CCP(=O)(O)O DB03379 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.29 O=C(O)COP(=O)(O)O DB02726 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.2 CC(=O)CC(=O)O DB01762 [0,0,0,0,1,0|0,0,0]=1 29 B6R0.2 CC(C)CC(=O)O DB03750 [0,0,0,0,1,0|1,0,1]=3 30 B6R0.2 CN(C)CC(=O)O DB02083 [0,0,0,0,1,0|2,0,0]=3 31 B6R0.2 NC(=O)CC(=O)O DB02649 [0,0,0,0,1,0|1,0,0]=2 32 B6R0.2 O=C(O)CC(=O)O DB02175 [0,0,0,0,1,0|1,0,0]=2 33 B6R0.2 O=C([O-])CC(=O)[O-] DB02201 [0,0,0,0,1,0|1,0,1]=3 34 B8R0.28 O=C(O)CCCC(=O)O DB03553 [0,0,0,0,0,1|1,0,0]=2 35 B5R0.1 C=C(Br)CCO DB04592 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|0,0,0]=2 37 B5R0.1 CC(C)CCO DB02296 [2,0,0,0,0,0|1,0,1]=4 38 B5R0.1 CC(O)CCO DB14110 [2,0,0,0,0,0|0,0,2]=4 39 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,0]=2 40 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.1 CN(C)CCO DB13352 [2,0,0,0,0,0|2,0,0]=4 42 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 C[C@H](O)CCO DB02202 [2,0,0,0,0,0|0,0,2]=4 44 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 46 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,1]=3 47 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|0,0,1]=3 50 B5R0.2 CCCCC=O DB01919 [2,0,0,0,0,0|0,0,1]=3 51 B7R0.2 O=CN(O)CC(=O)O DB02109 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [1,1,0,0,0,0|0,1,1]=4 53 B7R0.4 O=C(O)CCCCO DB04781 [1,1,0,0,0,0|0,0,1]=3 54 B7R0.4 [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|0,0,1]=3 55 B7R0.5 C(C)=CC(=O)C(=O)O DB02005 [1,1,0,0,0,0|0,0,2]=4 56 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [1,1,0,0,0,0|0,0,1]=3 57 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [1,1,0,0,0,0|1,0,0]=3 58 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [1,1,0,0,0,0|0,1,1]=4 61 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [1,1,0,0,0,0|1,1,0]=4 63 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [1,1,0,0,0,0|1,1,0]=4 64 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.8 CCCCP(=O)(O)O DB03999 [1,1,0,0,0,0|1,0,1]=4 67 B7R0.9 CC(=O)OP(=O)(O)O DB02897 [0,1,0,0,1,0|2,0,0]=4 68 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,1,0|2,0,0]=4 69 B7R0.9 O=C(O)CP(=O)(O)O DB02823 [0,1,0,0,1,0|2,0,0]=4 70 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,1,0|0,0,0]=2 71 B7R0.16 CC(C(=O)O)C(=O)O DB04183 [0,1,0,0,1,0|1,0,0]=3 72 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,1,0|0,0,2]=4 73 B7R0.16 NC(C(=O)O)C(=O)O DB02289 [0,1,0,0,1,0|1,0,0]=3 74 B7R0.16 O=C(O)C(=O)C(=O)O DB03589 [0,1,0,0,1,0|1,0,1]=4 75 B7R0.16 O=C([O-])C(O)C(=O)[O-] DB03680 [0,1,0,0,1,0|1,0,1]=4 76 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,1,0|1,0,1]=4 77 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,1,0|2,0,0]=4 78 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,1,0|1,0,1]=4 79 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DB01837 [0,1,0,0,0,1|0,0,0]=2 80 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O DB02235 [0,1,0,0,0,1|1,0,0]=3 81 B9R0.7 C[S@](=O)CC[C@H](N)C(=O)O DB02467 [0,1,0,0,0,1|1,0,0]=3 82 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O DB02174 [0,1,0,0,0,1|1,0,0]=3 83 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O DB03091 [0,1,0,0,0,1|1,0,0]=3 84 B9R0.7 N[C@H](CCC(=O)O)C(=O)O DB02517 [0,1,0,0,0,1|1,0,0]=3 85 B9R0.7 O=C(O)CCC(=O)C(=O)O DB08845 [0,1,0,0,0,1|1,0,0]=3 86 B9R0.7 [C@H](N)(CCC(C)=O)C(=O)O DB04296 [0,1,0,0,0,1|0,0,0]=2 87 B9R0.7 [C@H](N)(CC[Se](C)=O)C(=O)O DB02958 [0,1,0,0,0,1|1,0,0]=3 88 B9R0.7 [C@H](N)(CSC(C)=O)C(=O)O DB02039 [0,1,0,0,0,1|0,0,0]=2 89 B9R0.7 [C@H](N)(CS[As](C)C)C(=O)O DB03963 [0,1,0,0,0,1|2,0,0]=4 90 B9R0.53 O=C(O)CC(O)CC(=O)O DB04594 [0,1,0,0,0,1|1,0,0]=3 91 B9R0.56 O=C(O)C[NH2+]CP(=O)(O)O DB04539 [0,1,0,0,0,1|2,0,0]=4 92 B9R0.21 C=C(C=O)CCP(=O)(O)O DB03211 [0,2,0,0,0,0|1,0,1]=4 93 B9R0.21 CCC(=O)CCC(C)(C)O DB03711 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.23 CC(C)C[C@H](N)C(=O)NO DB03308 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.42 C[C@H](CF)C[C@H](N)C(=O)O DB02542 [0,2,0,0,0,0|1,0,1]=4 96 B9R0.11 CC(C)C[C@](C)(N)C(=O)O DB04063 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.39 CC(=O)N[C@@H](CO)C(=O)O DB02340 [0,2,0,0,0,0|1,0,0]=3 98 B9R0.39 CN[C@H](CC(C)C)C(=O)O DB04487 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.39 N(C(C)=O)[C@@H](CS)C(=O)[O-] DB14080 [0,2,0,0,0,0|1,0,1]=4 100 B9R0.39 [C@H](CS)(CC(C)C)C(=O)O DB02996 [0,2,0,0,0,0|1,0,1]=4 101 B9R0.57 N[C@@H](CS(=O)(=O)O)C(=O)O DB03661 [0,2,0,0,0,0|2,0,0]=4 102 B9R0.57 O=C(O)[C@@H](O)CS(=O)(=O)O DB02334 [0,2,0,0,0,0|2,0,0]=4 103 B9R0.57 [C@@H](N)(CP(=O)(O)O)C(=O)O DB03292 [0,2,0,0,0,0|2,0,0]=4 104 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O DB02978 [0,2,0,0,0,0|1,0,1]=4 105 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O DB04313 [0,2,0,0,0,0|1,0,0]=3 106 B9R0.79 NC(=O)[C@@H](O)[C@H](N)C(=O)O DB04527 [0,2,0,0,0,0|1,0,0]=3 107 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O DB03640 [0,2,0,0,0,0|1,0,0]=3 108 B9R0.79 O=C(O)C(S)C(S)C(=O)O DB14089 [0,2,0,0,0,0|1,0,0]=3 109 B9R0.79 O=C(O)[C@@H](O)[C@@H](O)C(=O)O DB01694 [0,2,0,0,0,0|1,0,0]=3 110 B9R0.79 O=C([O-])[C@H](O)[C@@H](O)C(=O)O DB11107 [0,2,0,0,0,0|1,0,0]=3 111 B9R0.79 [C@@H](C)(C(=O)O)[C@H](N)C(=O)O DB04538 [0,2,0,0,0,0|1,0,0]=3 112 B7R1.3 O=C1CCCCC1 DB02060 [1,0,0,1,0,0|1,0,1]=4 113 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,0,0,1,0,1|0,0,2]=4 114 B9R1.112 [C@H]1(C[C@H](N)C(=O)O)CO1 DB03191 [0,1,0,1,0,0|0,0,2]=4 115 B5R0.5 C=C(N)C(=O)O DB02688 [0,0,0,0,2,0|1,0,1]=4 116 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,2,0|1,0,0]=3 117 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,2,0|1,0,1]=4 118 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,2,0|1,0,1]=4 119 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,2,0|1,0,1]=4 120 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,2,0|1,0,1]=4 121 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,2,0|1,0,1]=4 122 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,2,0|0,0,2]=4 123 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,2,0|1,0,0]=3 124 B5R0.5 O=C(O)C(=O)O DB03902 [0,0,0,0,2,0|1,0,0]=3