0 B9R0.2 NC(=O)CCCCCCO AC4329 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 NCCOCCC(=O)O C72750 [1,0,0,0,0,0|2,0,1]=4 2 B10R0.4 C#CCCCCCCC(=O)O AT18741 [0,1,0,0,0,0|0,0,3]=4 3 B10R0.4 O=C(O)COCCOCCO C70220 [0,1,0,0,0,0|2,0,1]=4 4 B10R0.74 COC(=O)CCCCCCO W16829 [0,1,0,0,0,0|1,0,2]=4 5 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [0,0,0,1,0,0|2,0,1]=4 6 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [0,0,0,1,0,0|1,0,2]=4 7 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [0,0,0,1,0,0|1,0,2]=4 8 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [0,0,0,1,0,0|1,0,1]=3 9 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [0,0,0,1,0,0|1,0,1]=3 10 B9R0.4 CCCC[C@H](N)CC(=O)O D85241 [1,1,0,0,0,0|0,0,1]=3 11 B9R0.4 CCCC[C@H](N)CC(=O)O D85242 [1,1,0,0,0,0|0,0,1]=3 12 B11R0.148 CCCCCCC\C=C/C(=O)O D86947 [0,2,0,0,0,0|0,0,0]=2 13 B11R0.148 O=CCCCCCCCC(=O)O C74321 [0,2,0,0,0,0|0,0,2]=4 14 B11R0.176 O=C(O)CCCC[C@H](S)CCS 68441 [0,2,0,0,0,0|0,0,2]=4 15 B11R0.4 CCCCC\C=C\C(=O)OCC D75938 [0,2,0,0,0,0|0,0,0]=2 16 B9R1.2 CC[C@H]1CCCC(=O)N1 D96357 [1,0,0,1,0,0|1,0,1]=4 17 B9R1.6 O=C(O)[C@H]1CCCOC1 85696 [1,0,0,1,0,0|1,0,1]=4 18 B9R1.6 O=C(O)[C@H]1CCCOC1 85697 [1,0,0,1,0,0|1,0,1]=4 19 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O D74783 [1,0,0,1,0,0|1,0,1]=4 20 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O P20919 [1,0,0,1,0,0|1,0,1]=4 21 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 97382 [1,0,0,1,0,0|1,0,1]=4 22 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O F12971 [1,0,0,1,0,0|1,0,1]=4 23 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O P20096 [1,0,0,1,0,0|1,0,1]=4 24 B11R1.90 CN1CCC[C@H]1\C=C\C(=O)O D76990 [0,1,0,1,0,0|0,0,0]=2 25 B11R1.91 O=C(O)C#CC1CCCCC1 O10996 [0,1,0,1,0,0|0,0,2]=4 26 B11R1.77 N[C@@H](CC(=O)O)C1CCCC1 Y11598 [0,1,0,1,0,0|0,0,2]=4 27 B11R1.20 C[C@H]1CC[C@H](CC(=O)O)CC1 50017 [0,1,0,1,0,0|0,0,2]=4 28 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 P18292 [0,0,0,2,0,0|1,0,1]=4 29 B11R2.822 O=C(O)[C@H]1NC[C@H]2CC[C@H]21 P18187 [0,0,0,2,0,0|1,0,1]=4 30 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 AT24389 [0,0,0,2,0,0|0,0,2]=4 31 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P12563 [0,0,0,2,0,0|1,0,1]=4 32 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 P19062 [0,0,0,2,0,0|1,0,1]=4 33 B11R2.813 O=C(O)C12CC1CCCN2 P18665 [0,0,0,2,0,0|1,0,1]=4 34 B11R2.1837 O=C(O)C1NCCC2CC21 P18662 [0,0,0,2,0,0|1,0,1]=4 35 B11R2.1837 O=C(O)[C@H]1NCC[C@H]2C[C@@H]12 P18668 [0,0,0,2,0,0|1,0,1]=4 36 B11R2.1869 O=C(O)[C@H]1CCC12CCC2 S10402 [0,0,0,2,0,0|0,0,2]=4