0 B8R0.8 N[C@@H](CCCO)C(=O)O 51288 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 CNC(=O)CCCO F10217 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 CC(=O)OCCCO Y14698 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.3 CCCOC(=O)C(C)(C)N D86266 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.42 C=C(C)C(=O)O[C@@H](C)CO D93504 [0,1,0,0,0,0|3,0,0]=4 5 B9R1.5 C[C@@H]1NCCCNC1=O Y14885 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.5 C[C@H]1CNCCCC1=O 73108 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.5 O=C1CCCNC[C@@H]1F 72716 [0,0,0,1,0,0|2,0,1]=4 8 B9R1.5 O=C1CCNCC[C@@H]1F 73001 [0,0,0,1,0,0|2,0,1]=4 9 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 P17548 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.69 CN1C[C@@H](N)CCC1=O AT26867 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17728 [0,0,0,1,0,0|2,0,1]=4 12 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 P17729 [0,0,0,1,0,0|2,0,1]=4 13 B9R1.112 O=C(O)[C@@H](O)CC1CC1 69647 [0,0,0,1,0,0|1,0,2]=4 14 B9R1.112 O=C(O)[C@@H](O)CC1CC1 AT26814 [0,0,0,1,0,0|1,0,2]=4 15 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [0,0,0,0,0,1|2,0,1]=4 16 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [0,0,0,0,0,1|2,0,1]=4 17 B8R0.19 CC[C@H](N)CC(=O)OC Y11154 [1,1,0,0,0,0|1,0,0]=3 18 B8R0.5 CCC[C@H](N)CC(=O)O Y13601 [1,1,0,0,0,0|1,0,1]=4 19 B8R0.23 C=C(CC(C)C)C(=O)O W18790 [1,1,0,0,0,0|2,0,0]=4 20 B10R0.96 CC(=O)CC(=O)CCC(=O)O H10298 [0,1,0,0,0,1|1,0,1]=4 21 B8R1.1 CC[C@H]1COC(=O)N1 D75525 [1,0,0,1,0,0|2,0,0]=4 22 B8R1.1 CN[C@@H]1CNC(=O)C1 P19248 [1,0,0,1,0,0|2,0,0]=4 23 B8R1.1 NC[C@@H]1CNC(=O)C1 38946 [1,0,0,1,0,0|2,0,0]=4 24 B8R1.1 NC[C@@H]1CNC(=O)C1 P14159 [1,0,0,1,0,0|2,0,0]=4 25 B8R1.1 O=C1C[C@H](CO)CO1 72726 [1,0,0,1,0,0|2,0,0]=4 26 B8R1.3 C[C@H]1CCC(=O)CN1 P20466 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.3 C[C@H]1CCC(=O)CN1 P20467 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.38 COC(=O)[C@@H]1CCO1 D96911 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.38 O=C(CCl)C1CCC1 P19145 [1,0,0,1,0,0|1,0,1]=4 30 B8R1.4 C[C@H]1CC(=O)CCO1 P13205 [1,0,0,1,0,0|1,0,1]=4 31 B8R1.4 C[C@H]1CCCC(=O)N1 D85681 [1,0,0,1,0,0|1,0,1]=4 32 B8R1.31 CC1CCC1C(=O)O D96793 [1,0,0,1,0,0|1,0,1]=4 33 B10R1.61 CC(=O)C1=C(Br)CCCC1 E70182 [0,0,0,1,0,1|1,0,0]=3 34 B10R1.61 CC(=O)C1CCCCC1F P18235 [0,0,0,1,0,1|1,0,1]=4 35 B10R1.275 O=C1CCCCC(O)=C1F P18326 [0,1,0,1,0,0|1,0,1]=4 36 B10R1.13 CC(=O)[C@H]1CC[C@H](N)CC1 AT26085 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [0,1,0,1,0,0|0,1,1]=4 38 B10R2.178 O=C1CCC2CCC1N2 P16166 [0,0,0,2,0,0|1,0,1]=4