0 B10R0.74 COC(=O)CCCCCCO W16829 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 NC(=O)CCCCCCO AC4329 [1,0,0,0,0,0|2,0,0]=3 2 B11R0.4 CCCCC\C=C\C(=O)OCC D75938 [0,1,0,0,0,0|0,0,2]=3 3 B11R0.4 CCOC(=O)CCCCCCCl AC9325 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.222 COC(=O)C1=C(Br)CCCC1 AC8446 [0,0,0,1,0,0|1,0,2]=4 5 B11R1.222 COC(=O)C1CCNCC1F P16241 [0,0,0,1,0,0|2,0,0]=3 6 B11R1.222 COC(=O)[C@@H]1CCCC[C@@H]1N P19164 [0,0,0,1,0,0|1,0,0]=2 7 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N P17693 [0,0,0,1,0,0|2,0,0]=3 8 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79695 [0,0,0,1,0,0|1,0,0]=2 9 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C D79696 [0,0,0,1,0,0|1,0,0]=2 10 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C D79694 [0,0,0,1,0,0|1,0,0]=2 11 B8R0.4 NCCCCCCCO D74762 [2,0,0,0,0,0|1,0,1]=4 12 B8R0.7 NCCOCCC(=O)O C72750 [2,0,0,0,0,0|2,0,0]=4 13 B10R0.4 C#CCCCCCCC(=O)O AT18741 [1,1,0,0,0,0|0,0,1]=3 14 B10R0.4 O=C(O)COCCOCCO C70220 [1,1,0,0,0,0|2,0,0]=4 15 B10R1.18 C[C@H](N)CC1CCCCC1 C75565 [1,0,0,1,0,0|1,0,1]=4 16 B10R1.18 O=C(O)C[C@H]1CNCCO1 C72399 [1,0,0,1,0,0|2,0,0]=4 17 B10R1.61 CC(=O)C1CCCCC1F P18235 [1,0,0,1,0,0|1,0,0]=3 18 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O W17674 [1,0,0,1,0,0|2,0,0]=4 19 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O D85978 [1,0,0,1,0,0|1,0,0]=3 20 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O Y13544 [1,0,0,1,0,0|1,0,0]=3 21 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P19284 [1,0,0,1,0,0|1,0,0]=3 22 B10R1.348 O=C(O)[C@@H]1CCCCCN1 P20954 [1,0,0,1,0,0|1,0,0]=3 23 B10R1.15 COC(=O)[C@@H]1CCCCS1 D96792 [1,0,0,1,0,0|1,0,0]=3 24 B10R1.99 COC(=O)[C@H]1C[C@@H]1CCO F50052 [1,0,0,1,0,0|1,0,0]=3 25 B12R1.32 CCOC(=O)C[C@H]1CCCNC1 61924 [0,1,0,1,0,0|1,0,0]=3 26 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1N 74393 [0,1,0,1,0,0|1,0,0]=3 27 B12R1.1564 CCOC(=O)[C@H]1CCCCNC1 81207 [0,1,0,1,0,0|1,0,0]=3 28 B12R1.371 COC(=O)C[C@H]1CCCNC1=O P18962 [0,1,0,1,0,0|1,0,1]=4 29 B12R1.1710 COC(=O)[C@H]1CC[C@@H]1C(=O)OC P19734 [0,1,0,1,0,0|1,0,1]=4 30 B12R1.50 COC(=O)CC1CNCC(C)C1 P16235 [0,1,0,1,0,0|1,0,0]=3 31 B12R1.368 COC(=O)[C@H]1CCC[C@@H]1C(=O)O F50022 [0,1,0,1,0,0|1,0,1]=4 32 B12R1.368 COC(=O)[C@H]1CCC[C@H]1C(=O)O 96737 [0,1,0,1,0,0|1,0,1]=4 33 B12R1.108 COC(=O)[C@@H](Br)CC1CCCC1 73496 [0,1,0,1,0,0|0,0,0]=2 34 B12R2.1175 O=C1CNC2(CCCC2)CN1 P20910 [0,0,0,2,0,0|2,0,0]=4 35 B12R2.1081 O=C1CCC[C@H]2CNCCN12 98001 [0,0,0,2,0,0|2,0,0]=4 36 B12R2.1081 O=C1NCCC2CNCCC12 56613 [0,0,0,2,0,0|2,0,0]=4 37 B12R2.1596 COC(=O)C1CC2CC1CN2 D97154 [0,0,0,2,0,0|1,0,0]=3 38 B12R2.1596 COC(=O)[C@H]1C[C@H]2CC[C@@H]1N2 P14688 [0,0,0,2,0,0|1,0,0]=3 39 B12R2.1596 COC(=O)[C@H]1C[C@H]2CC[C@@H]1O2 D79377 [0,0,0,2,0,0|1,0,0]=3 40 B12R2.18 CN1CC2CCNCC2C1=O P20801 [0,0,0,2,0,0|2,0,0]=4 41 B12R2.3810 COC(=O)C1C2CNCC1C2 38394 [0,0,0,2,0,0|1,0,0]=3 42 B12R2.229 O=C1CCNC[C@@H]2CCCN12 P10821 [0,0,0,2,0,0|2,0,0]=4