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C=C[C@H](N)C(=O)O DB03214 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.3 CC(C)[C@H](N)CO DB04383 [1,0,0,0,0,0|0,0,1]=2 19 B6R0.3 CCC(=O)C(=O)O DB04553 [1,0,0,0,0,0|1,0,1]=3 20 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,0,0,0,0,0|1,0,0]=2 21 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.3 C[C@H](CN)C(=O)[O-] DB03432 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 C\C=C(/N)C(=O)O DB03720 [1,0,0,0,0,0|0,0,2]=3 24 B6R0.3 N[C@@H](C[NH3+])C(=O)O DB03320 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 N[C@@H](C[SeH])C(=O)O DB02345 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.3 N[C@H](CO)C(=O)O DB03929 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.3 N[C@H](CS)C(=O)O DB03201 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.3 O=C(O)C(=O)CO DB02951 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.3 [C@H](C)(O)[C@H](N)CO DB01724 [1,0,0,0,0,0|1,0,1]=3 30 B6R0.3 [C@H](N)(CS)C(=N)O DB03275 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.3 [NH3+][C@H](CCl)C(=O)[O-] DB01735 [1,0,0,0,0,0|1,0,2]=4 32 B8R0.2 CC(C)[C@@H](N)C(=O)NO DB02697 [0,1,0,0,0,0|0,0,0]=1 33 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.27 [C@H](N)(C(=O)O)C(F)(F)F DB03794 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.23 CC(=O)N[C@@H](C)C(=O)O DB02518 [0,0,0,0,0,1|2,0,1]=4 36 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,0,0,0,0,1|1,0,1]=3 37 B8R0.23 CC(C)C[C@@H](N)C(=O)O DB01746 [0,0,0,0,0,1|0,0,0]=1 38 B8R0.23 NC(=O)C[C@@H](N)C(=O)O DB03943 [0,0,0,0,0,1|2,0,1]=4 39 B8R0.23 N[C@@H](C[S@](=O)O)C(=O)O DB02153 [0,0,0,0,0,1|3,0,0]=4 40 B8R0.23 N[C@H](CC(=O)O)C(=O)O DB02655 [0,0,0,0,0,1|2,0,1]=4 41 B8R0.23 [C@H](N)(C[SeH](=O)=O)C(=O)O DB02442 [0,0,0,0,0,1|3,0,0]=4 42 B5R0.1 CC(=O)CCO DB04094 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(C)CCO DB02296 [2,0,0,0,0,0|0,0,1]=3 44 B5R0.1 CC(O)CCO DB14110 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,0]=2 46 B5R0.1 CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.1 CN(C)CCO DB13352 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.1 CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 C[C@H](O)CCO DB02202 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.1 C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.1 NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.3 O=C[C@H](O)CO DB02536 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.5 C=C(N)C(=O)O DB02688 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.5 CC(=O)[C@@H](C)O DB04364 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.5 CC(=O)[C@H](C)O DB02788 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.5 CC(C)C(=O)O DB02531 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.5 C[C@@H](N)C(=O)O DB01786 [2,0,0,0,0,0|0,0,0]=2 62 B5R0.5 C[C@@H](O)C(=O)O DB03066 [2,0,0,0,0,0|1,0,0]=3 63 B5R0.5 C[C@H](O)[C@@H](C)O DB02418 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.5 NC(=O)C(=O)O DB03940 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.2 CC(C)NC(=N)NO DB02143 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.9 CC(C)OP(=O)(O)O DB03976 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.9 C[C@H](O)CC(C)(C)O DB03564 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.5 CCC[C@H](N)C(=O)O DB04185 [1,1,0,0,0,0|0,0,0]=2 71 B7R0.5 CSC[C@H](N)C(=O)O DB02216 [1,1,0,0,0,0|0,0,0]=2 72 B7R0.5 NCC[C@H](N)C(=O)O DB03817 [1,1,0,0,0,0|0,0,0]=2 73 B7R0.5 N[C@@H](CCO)C(=O)O DB04193 [1,1,0,0,0,0|0,0,0]=2 74 B7R0.5 N[C@@H](CCS)C(=O)O DB04422 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.5 N[C@@H](CSO)C(=O)O DB01915 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.5 N[C@@H](CSS)C(=O)O DB02761 [1,1,0,0,0,0|1,0,0]=3 77 B7R0.5 N[C@@H](CS[SeH])C(=O)O DB03049 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.5 S(=O)C[C@H](N)C(=O)O DB03382 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.5 [C@@H](N)(CC=O)C(=O)O DB04498 [1,1,0,0,0,0|0,0,1]=3 80 B7R0.13 CC[C@@](C)(N)C(=O)O DB04171 [1,1,0,0,0,0|0,0,0]=2 81 B7R0.15 C\C=C(/NC)C(=O)O DB04225 [1,1,0,0,0,0|0,0,2]=4 82 B7R0.15 [C@H](CN)(CO)C(=O)O DB02904 [1,1,0,0,0,0|1,0,0]=3 83 B9R0.10 CC(C)C[C@H](N)P(=O)(O)O DB02386 [0,1,0,0,0,1|1,0,0]=3 84 B9R0.11 CC(C)C[C@](C)(N)C(=O)O DB04063 [0,1,0,0,0,1|0,0,0]=2 85 B9R0.23 CC(C)C[C@H](N)C(=O)NO DB03308 [0,1,0,0,0,1|0,0,0]=2 86 B9R0.39 CN[C@H](CC(C)C)C(=O)O DB04487 [0,1,0,0,0,1|0,0,0]=2 87 B9R0.39 [C@H](CS)(CC(C)C)C(=O)O DB02996 [0,1,0,0,0,1|1,0,0]=3 88 B9R0.42 C[C@H](CF)C[C@H](N)C(=O)O DB02542 [0,1,0,0,0,1|0,0,0]=2 89 B9R0.79 CC(C)N(O)C(=O)C(=O)O DB03387 [0,1,0,0,0,1|1,0,1]=4 90 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O DB02978 [0,1,0,0,0,1|0,0,0]=2 91 B9R0.25 CNC(=O)[C@@H](N)C(C)(C)C DB01949 [0,2,0,0,0,0|1,0,0]=3 92 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO DB03947 [0,2,0,0,0,0|2,0,0]=4 93 B9R0.32 CC(C)(CO)C(=O)C(=O)O DB03795 [0,2,0,0,0,0|1,0,1]=4 94 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] DB01930 [0,2,0,0,0,0|1,0,1]=4 95 B9R0.32 CC[C@@](C)(O)[C@@H](O)C(=O)O DB03675 [0,2,0,0,0,0|1,0,0]=3 96 B7R1.4 N[C@@H]1CCOC1=O DB02624 [1,0,0,1,0,0|0,0,0]=2 97 B7R1.19 NC1(C(=O)O)CC1 DB02085 [1,0,0,1,0,0|0,0,0]=2 98 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 DB08847 [0,0,0,1,0,1|1,0,0]=3 99 B9R1.112 [C@H]1(C[C@H](N)C(=O)O)CO1 DB03191 [0,0,0,1,0,1|1,0,0]=3 100 B9R1.41 [C@@H]1(C)C=CN[C@H]1C(=O)O DB03930 [0,1,0,1,0,0|0,0,1]=3 101 B7R0.6 CC(=O)CCC(=O)O DB02239 [1,0,0,0,0,1|1,0,1]=4 102 B7R0.6 CC(=O)NCC(=O)O DB02713 [1,0,0,0,0,1|1,0,1]=4 103 B7R0.6 CC(C)CCC(=O)O DB03993 [1,0,0,0,0,1|0,0,0]=2 104 B9R0.7 CC(=O)OC[C@H](N)C(=O)O DB01837 [0,0,0,0,0,2|1,0,1]=4 105 B9R0.7 C[S@@](=O)CC[C@H](N)C(=O)O DB02235 [0,0,0,0,0,2|2,0,0]=4 106 B9R0.7 C[S@](=O)CC[C@H](N)C(=O)O DB02467 [0,0,0,0,0,2|2,0,0]=4 107 B9R0.7 [C@H](N)(CCC(C)=O)C(=O)O DB04296 [0,0,0,0,0,2|1,0,1]=4 108 B9R0.7 [C@H](N)(CC[Se](C)=O)C(=O)O DB02958 [0,0,0,0,0,2|2,0,0]=4 109 B9R0.7 [C@H](N)(CSC(C)=O)C(=O)O DB02039 [0,0,0,0,0,2|1,0,1]=4 110 B9R0.7 [C@H](N)(CS[As](C)C)C(=O)O DB03963 [0,0,0,0,0,2|1,0,0]=3