0 B5R0.5 CC(=O)C(=O)O 127-17-3 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.5 CC(=O)C(C)=O 431-03-8 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.5 CC(C)C(=O)O 79-31-2 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.5 CC(N)C(=O)O 56-41-7 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.5 C[C@@H](N)C(=O)O 338-69-2 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 C[C@@H](O)C(=O)[O-] 920-49-0 [0,0,0,0,0,0|0,0,1]=1 6 B5R0.5 C[C@@H](O)[C@@H](C)O 24347-58-8 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.5 C[C@H](O)C(=O)O 79-33-4 [0,0,0,0,0,0|0,0,0]=0 8 B5R0.5 O=C(O)C(=O)O 6153-56-6 [0,0,0,0,0,0|1,0,1]=2 9 B4R0.1 C=CC(=O)O 79-10-7 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 CCC(=O)O 79-09-4 [1,0,0,0,0,0|0,0,0]=1 11 B4R0.1 CNC(=N)N 21770-81-0 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.1 NCC(=O)O 56-40-6 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.1 O=CC(=O)O 563-96-2 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.3 CC(CN)C(=O)O 144-90-1 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.3 CCC(=O)C(=O)O 600-18-0 [0,1,0,0,0,0|0,0,2]=3 16 B6R0.3 CCC(O)C(=O)[O-] 5094-24-6 [0,1,0,0,0,0|0,0,1]=2 17 B6R0.3 CC[C@H](N)C(=O)O 1492-24-6 [0,1,0,0,0,0|1,0,0]=2 18 B6R0.3 NC(CO)C(=O)O 56-45-1 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.3 NC(CS)C(=O)O 52-90-4 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 NCC(N)C(=O)O 54897-59-5 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.7 CC(C)(N)C(=O)O 62-57-7 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.7 CC(C)(O)C(=O)O 594-61-6 [0,1,0,0,0,0|0,0,0]=1 23 B6R0.2 CC(=O)CC(=O)[O-] 3483-11-2 [0,0,0,0,0,1|0,0,3]=4 24 B6R0.2 CC(C)=CC(=O)O 541-47-9 [0,0,0,0,0,1|1,0,1]=3 25 B6R0.2 CC(O)CC(=O)O 300-85-6 [0,0,0,0,0,1|0,0,0]=1 26 B6R0.2 CN(C)CC(=O)O 1118-68-9 [0,0,0,0,0,1|2,0,0]=3 27 B6R0.2 C[C@@H](O)CC(=O)O 625-72-9 [0,0,0,0,0,1|0,0,0]=1 28 B6R0.2 O=C(O)CC(=O)O 141-82-2 [0,0,0,0,0,1|1,0,1]=3 29 B3R0.1 NCCO 141-43-5 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.2 NC(N)=O 57-13-6 [2,0,0,0,0,0|2,0,0]=4 31 B3R0.2 O=C([O-])[O-] 471-34-1 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.1 CC(C)=CCO 556-82-1 [1,1,0,0,0,0|1,0,1]=4 33 B5R0.1 CCCC(=O)O 107-92-6 [1,1,0,0,0,0|0,0,0]=2 34 B5R0.1 CNCC(=O)O 107-97-1 [1,1,0,0,0,0|0,0,0]=2 35 B5R0.1 C\C=C\C(=O)O 107-93-7 [1,1,0,0,0,0|0,0,1]=3 36 B5R0.1 NCCC(=O)O 107-95-9 [1,1,0,0,0,0|0,0,0]=2 37 B5R0.1 NCCS(=O)O 300-84-5 [1,1,0,0,0,0|1,0,0]=3 38 B5R0.3 CCC(C)C=O 96-17-3 [1,1,0,0,0,0|1,0,0]=3 39 B5R0.3 O=CC(O)CO 56-82-6 [1,1,0,0,0,0|0,0,0]=2 40 B5R0.3 OCC(O)CO 56-81-5 [1,1,0,0,0,0|0,0,1]=3 41 B7R0.9 CC(C)(O)CC(=O)O 625-08-1 [0,1,0,0,0,1|0,0,0]=2 42 B7R0.9 O=C(O)CP(=O)(O)O 4408-78-0 [0,1,0,0,0,1|2,0,0]=4 43 B7R0.16 CC(C(=O)O)C(=O)O 516-05-2 [0,1,0,0,0,1|1,0,1]=4 44 B7R0.16 CC(C)C(=O)C(=O)O 759-05-7 [0,1,0,0,0,1|1,0,0]=3 45 B7R0.16 CC(C)C(N)C(=O)O 72-18-4 [0,1,0,0,0,1|1,0,0]=3 46 B7R0.16 CC(C)C(O)C(=O)O 4026-18-0 [0,1,0,0,0,1|1,0,0]=3 47 B7R0.16 CC(O)C(N)C(=O)O 72-19-5 [0,1,0,0,0,1|0,0,0]=2 48 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 28954-12-3 [0,1,0,0,0,1|0,0,0]=2 49 B7R0.16 NC(C(=O)O)C(=O)O 1068-84-4 [0,1,0,0,0,1|1,0,1]=4 50 B7R0.5 CCC[C@H](N)C(=O)O 6600-40-4 [0,2,0,0,0,0|1,0,0]=3 51 B7R0.5 NC(CCS)C(=O)O 454-29-5 [0,2,0,0,0,0|1,0,0]=3 52 B7R0.5 N[C@@H](CCO)C(=O)O 672-15-1 [0,2,0,0,0,0|1,0,0]=3 53 B7R0.10 OC[C@@H](O)[C@H](O)CO 7493-90-5 [0,2,0,0,0,0|0,0,2]=4 54 B7R0.10 OC[C@H](O)[C@H](O)CO 149-32-6 [0,2,0,0,0,0|0,0,2]=4 55 B7R1.19 NC1(C(=O)O)CC1 22059-21-8 [0,1,0,1,0,0|1,0,0]=3 56 B7R0.6 CC(=O)NCC(=O)O 543-24-8 [0,0,0,0,0,2|0,0,2]=4 57 B7R0.6 CC(C)CCC(=O)O 646-07-1 [0,0,0,0,0,2|1,0,0]=3 58 B7R0.6 O=C(O)CCC(=O)O 110-15-6 [0,0,0,0,0,2|1,0,1]=4 59 B7R0.6 O=C(O)\C=C/C(=O)O 110-16-7 [0,0,0,0,0,2|1,0,1]=4 60 B7R0.6 O=C(O)\C=C\C(=O)O 110-17-8 [0,0,0,0,0,2|1,0,1]=4