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C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 NCCC(=O)O DB03107 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 NOCC(=O)O DB02079 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 O=C(O)CCO DB03688 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.2 CC(C)NC(=N)NO DB02143 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 O=CN(O)CC(=O)O DB02109 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.2 [C@H](N)(CS)CC(=O)O DB02780 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.9 C[N+](C)(C)CC(=O)O DB04455 [0,1,0,0,0,0|1,0,1]=3 29 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB01494 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.9 C[N+](C)(C)CC(=O)[O-] DB06756 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.16 CC(=O)[C@H](N)C(=O)O DB03915 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.16 CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.16 CC(C)[C@H](N)C(=O)O DB00161 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O DB03700 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O DB00156 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.16 [C@@H](N)(C(=O)O)[C@@H](C)N DB04804 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.16 [C@H](C)(C(=O)O)N(C)C DB02167 [0,1,0,0,0,0|1,0,0]=2 38 B7R0.16 [C@H](C)(N)[C@@H](N)C(=O)O DB04802 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.5 C=C(N)C(N)=O DB02002 [0,0,0,0,1,0|2,0,1]=4 40 B5R0.5 CC(=O)C(=O)O DB00119 [0,0,0,0,1,0|3,0,0]=4 41 B5R0.5 CC(=O)C(N)=O DB03578 [0,0,0,0,1,0|2,0,0]=3 42 B5R0.5 CC(=O)[C@@H](C)O DB04364 [0,0,0,0,1,0|3,0,0]=4 43 B5R0.5 CC(=O)[C@H](C)O DB02788 [0,0,0,0,1,0|3,0,0]=4 44 B5R0.5 CC(=[NH2+])C(=O)[O-] DB04212 [0,0,0,0,1,0|3,0,0]=4 45 B5R0.5 CC(C)C(=O)O DB02531 [0,0,0,0,1,0|2,0,0]=3 46 B5R0.5 CC(O)C(=O)O DB04398 [0,0,0,0,1,0|3,0,0]=4 47 B5R0.5 CC(O)C(=O)[O-] DB06768 [0,0,0,0,1,0|3,0,0]=4 48 B5R0.5 CC(O)C(=O)[O-] DB13231 [0,0,0,0,1,0|3,0,0]=4 49 B5R0.5 C[C@@H](N)C(=O)O DB01786 [0,0,0,0,1,0|3,0,0]=4 50 B5R0.5 C[C@@H](O)C(=O)O DB03066 [0,0,0,0,1,0|3,0,0]=4 51 B5R0.5 C[C@H](N)C(=O)O DB00160 [0,0,0,0,1,0|3,0,0]=4 52 B5R0.5 NC(=O)C(=O)O DB03940 [0,0,0,0,1,0|3,0,0]=4 53 B7R0.6 CC(=O)CCC(=O)O DB02239 [0,0,0,0,0,1|3,0,0]=4 54 B7R0.6 CC(=O)CCC(=O)[O-] DB13800 [0,0,0,0,0,1|3,0,0]=4 55 B7R0.6 CC(=O)NCC(=O)O DB02713 [0,0,0,0,0,1|3,0,0]=4 56 B7R0.6 CC(C)CCC(=O)O DB03993 [0,0,0,0,0,1|2,0,0]=3 57 B4R0.1 CC(=O)C=O DB03587 [2,0,0,0,0,0|2,0,0]=4 58 B4R0.1 CC(=O)NO DB00551 [2,0,0,0,0,0|2,0,0]=4 59 B4R0.1 CCC(=O)O DB03766 [2,0,0,0,0,0|1,0,0]=3 60 B4R0.1 CCC(N)=O DB04161 [2,0,0,0,0,0|0,0,0]=2 61 B4R0.1 CN(C)C=O DB01844 [2,0,0,0,0,0|0,0,0]=2 62 B4R0.1 C[C@H](O)C=O DB03776 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 N=C(N)NN DB05383 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 N=C(N)NO DB03770 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 NC(=O)NO DB01005 [2,0,0,0,0,0|1,0,0]=3 66 B4R0.1 NCC(=O)O DB00145 [2,0,0,0,0,0|1,0,0]=3 67 B4R0.1 NCC(=O)[O-] DB11189 [2,0,0,0,0,0|1,0,0]=3 68 B4R0.1 NCC(=O)[O-] DB11200 [2,0,0,0,0,0|1,0,0]=3 69 B4R0.1 NCC(=O)[O-] DB11210 [2,0,0,0,0,0|1,0,0]=3 70 B4R0.1 NCC(N)=O DB03636 [2,0,0,0,0,0|0,0,0]=2 71 B4R0.1 O=C(O)CBr DB02198 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 O=C(O)CO DB03085 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.2 CCCCN DB03659 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.2 C\C=C\C=O DB04381 [2,0,0,0,0,0|1,0,1]=4 75 B4R0.2 O=CCC=O DB03057 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CCOC(=O)NC DB02856 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.3 C=C(NC)C(=O)O DB03920 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.3 CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.3 CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 CCCCC(=O)O DB02406 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.4 CCCOC(C)=O DB01670 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 NCCCC(=O)O DB02530 [1,1,0,0,0,0|2,0,0]=4 83 B6R0.4 O=C([O-])CCCO DB01440 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.4 O=C([O-])CCCO DB09072 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.5 CC(C)(C)OC=O DB02768 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.5 C[N+](C)(C)CC=O DB04401 [1,1,0,0,0,0|0,0,1]=3 87 B6R0.7 CC(C)(N)C(=O)O DB02952 [0,1,0,0,1,0|2,0,0]=4 88 B8R0.23 CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,1|2,0,0]=4 89 B8R0.23 CC(C)C[C@@H](N)C(=O)O DB01746 [0,1,0,0,0,1|2,0,0]=4 90 B8R0.23 CC(C)C[C@H](N)C(=O)O DB00149 [0,1,0,0,0,1|2,0,0]=4 91 B8R0.23 CN(C)C(=N)NC(=N)N DB00331 [0,1,0,0,0,1|1,0,1]=4 92 B8R0.2 CC(C)[C@@H](N)C(=O)NO DB02697 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O DB01739 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O DB00167 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S DB00859 [0,2,0,0,0,0|2,0,0]=4 96 B6R1.2 O=C1CCCO1 DB04699 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.18 CN1CC(=O)NC1=N DB11846 [0,1,0,1,0,0|0,0,1]=3