0 B6R0.3 N[C@@H](CO)C(=O)O D00016 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.3 N[C@@H](CS)C(=O)O D00026 [0,0,0,0,0,0|1,1,1]=3 2 B6R0.3 N[C@@H](CS)C(=O)O D02326 [0,0,0,0,0,0|1,1,1]=3 3 B5R0.1 CC(O)CCO D10695 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CCCC(=O)[O-] D08998 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CCOC(C)=O D02319 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 NCCC(=O)O D07561 [1,0,0,0,0,0|1,0,1]=3 7 B5R0.3 O=C(CO)CO D07841 [1,0,0,0,0,0|0,0,1]=2 8 B5R0.3 OCC(O)CO D00028 [1,0,0,0,0,0|0,0,3]=4 9 B5R0.3 [*]CC(=O)O[*] D05557 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.5 CC(O)C(=O)O D00111 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.5 CC(O)C(=O)[O-] D00936 [1,0,0,0,0,0|0,0,3]=4 12 B5R0.5 CC(O)C(=O)[O-] D02183 [1,0,0,0,0,0|0,0,3]=4 13 B5R0.5 CC(O)C(=O)[O-] D02254 [1,0,0,0,0,0|0,0,3]=4 14 B5R0.5 CC(O)C(=O)[O-] D02920 [1,0,0,0,0,0|0,0,3]=4 15 B5R0.5 C[C@H](N)C(=O)O D00012 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.5 O=C([O-])C(=O)[O-] D07103 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.10 C=C(C#N)C(=O)OC D03460 [0,1,0,0,0,0|2,0,1]=4 18 B7R0.10 COC(=O)[C@@H](N)CS D01574 [0,1,0,0,0,0|1,1,1]=4 19 B7R0.10 COC(=O)[C@@H](N)CS D08164 [0,1,0,0,0,0|1,1,1]=4 20 B7R0.13 [2H][C@@](N)(CF)C(=O)O D04203 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.16 CC(C)[C@H](N)C(=O)O D00039 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O D00041 [0,1,0,0,0,0|1,0,1]=3 23 B7R1.4 N[C@H]1CONC1=O D04706 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.4 [C@@H]1(N)CONC1=O D00877 [0,0,0,1,0,0|2,0,1]=4 25 B7R0.2 NCC(=O)O[AlH3](O)O D02012 [0,0,0,0,0,1|2,0,1]=4 26 B7R0.2 NCC(O)CC(=O)O D00174 [0,0,0,0,0,1|1,0,2]=4 27 B4R0.1 C=CC(=O)O D03392 [2,0,0,0,0,0|0,0,1]=3 28 B4R0.1 C=CC(=O)O D03393 [2,0,0,0,0,0|0,0,1]=3 29 B4R0.1 C=CC(=O)O D03394 [2,0,0,0,0,0|0,0,1]=3 30 B4R0.1 C=CC(=O)O D03395 [2,0,0,0,0,0|0,0,1]=3 31 B4R0.1 C=CC(=O)O D03396 [2,0,0,0,0,0|0,0,1]=3 32 B4R0.1 C=CC(=O)O D03397 [2,0,0,0,0,0|0,0,1]=3 33 B4R0.1 CC(=O)NO D00220 [2,0,0,0,0,0|1,0,0]=3 34 B4R0.1 CC(=O)OO D03467 [2,0,0,0,0,0|1,0,0]=3 35 B4R0.1 CC(O)CO D00078 [2,0,0,0,0,0|1,0,1]=4 36 B4R0.1 CCC(=O)O D02310 [2,0,0,0,0,0|0,0,1]=3 37 B4R0.1 CCC(=O)[O-] D05872 [2,0,0,0,0,0|0,0,2]=4 38 B4R0.1 CCC(=O)[O-] D08440 [2,0,0,0,0,0|0,0,2]=4 39 B4R0.1 NC(=O)NO D00341 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 NCC(=O)O D00011 [2,0,0,0,0,0|1,0,0]=3 41 B4R0.1 NCC(=O)[O-] D08016 [2,0,0,0,0,0|1,0,1]=4 42 B4R0.1 O=C(O)CCl D07677 [2,0,0,0,0,0|1,0,0]=3 43 B4R0.1 O=S(O)C[O-] D05861 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.4 NCCCC(=O)O D00058 [1,1,0,0,0,0|1,0,1]=4 45 B6R0.4 O=C([O-])CCCO D05866 [1,1,0,0,0,0|0,0,2]=4 46 B8R0.9 NCC(=O)CCC(=O)O D02908 [0,0,0,0,0,2|1,0,0]=3 47 B8R0.9 NCC(=O)CCC(=O)O D07567 [0,0,0,0,0,2|1,0,0]=3