0 B9R0.2 CNCCOCCC(=O)O C70436 [1,0,0,0,0,0|3,0,0]=4 1 B9R0.45 CC\C=C\CCCCC=O P17001 [1,0,0,0,0,0|1,0,2]=4 2 B11R0.40 C#CCCCCCCC(=O)OC AT21756 [0,1,0,0,0,0|1,0,2]=4 3 B11R0.148 CC(C)OCCCOCCCO D75524 [0,1,0,0,0,0|2,0,1]=4 4 B11R0.159 NCCCCCCOP(=O)(O)O D74915 [0,1,0,0,0,0|3,0,0]=4 5 B11R1.24 CNCCN1CCNC(=O)C1 AT12836 [0,0,0,1,0,0|3,0,0]=4 6 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1N AC8198 [0,0,0,1,0,0|2,0,0]=3 7 B11R1.86 N[C@H]1CCCC[C@H]1CC(=O)O AT25974 [0,0,0,1,0,0|3,0,0]=4 8 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AT26066 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95579 [0,0,0,1,0,0|3,0,0]=4 10 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95580 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O E73099 [0,0,0,1,0,0|3,0,0]=4 12 B11R1.271 CC(=O)OC[C@H]1CC[C@@H]1C=O D76589 [0,0,0,1,0,0|1,0,1]=3 13 B10R0.74 C#CCCCCCC(=O)OC AT21753 [1,1,0,0,0,0|0,0,2]=4 14 B10R0.74 COC(=O)COCCCCO AT19930 [1,1,0,0,0,0|2,0,0]=4 15 B10R0.75 CSCCCC[C@H](N)C(=O)O 70962 [1,1,0,0,0,0|2,0,0]=4 16 B10R0.75 NCCCCC[C@H](N)C(=O)O AT25880 [1,1,0,0,0,0|2,0,0]=4 17 B12R0.248 C#CCCCCCCCC(=O)OC AT21757 [0,2,0,0,0,0|1,0,1]=4 18 B12R0.234 CC(=O)SCCOCCOCCO C70703 [0,2,0,0,0,0|1,1,0]=4 19 B12R0.268 CC(=O)OCCNCCOC(C)=O C11101 [0,2,0,0,0,0|1,0,1]=4 20 B10R1.10 CCC[C@H]1CCNC(=O)C1 AC9817 [1,0,0,1,0,0|1,0,0]=3 21 B10R1.18 CC(=O)N[C@H]1CCCNC1 D76222 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.18 O=C(O)C[C@H]1CCCCN1 C16162 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O AT24543 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.61 C[C@H]1CCNC[C@@H]1C(=O)O AT24544 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98555 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.348 O=C(O)[C@@H]1CCCCCN1 98556 [1,0,0,1,0,0|2,0,0]=4 27 B10R1.348 O=C(O)[C@H]1CCCCNC1 F16355 [1,0,0,1,0,0|2,0,0]=4 28 B10R1.348 O=C(O)[C@H]1CCCOCC1 85693 [1,0,0,1,0,0|2,0,0]=4 29 B10R1.348 O=C(O)[C@H]1CCCOCC1 85694 [1,0,0,1,0,0|2,0,0]=4 30 B12R1.1409 C=CCCC[C@H]1C[C@@H]1OC(C)=O D77463 [0,1,0,1,0,0|0,0,1]=3 31 B12R1.371 COC(=O)CC1CCCCC1O AT25971 [0,1,0,1,0,0|2,0,0]=4 32 B12R1.371 COC(=O)C[C@H]1CCCC[C@@H]1N AT25947 [0,1,0,1,0,0|2,0,0]=4 33 B12R1.371 COC(=O)C[C@H]1CCCC[C@@H]1N AT25948 [0,1,0,1,0,0|2,0,0]=4 34 B12R1.1385 NC1(C(=O)O)CCCCCCC1 97522 [0,1,0,1,0,0|2,0,0]=4 35 B12R1.252 O=C(O)CCC[C@H]1CCCNC1 AT26065 [0,1,0,1,0,0|2,0,0]=4 36 B12R1.75 COC1CCCNC1CC(C)=O F31309 [0,1,0,1,0,0|2,0,0]=4 37 B12R2.24 O=C1CCC2=C(CCCC2)O1 A11798 [0,0,0,2,0,0|0,0,2]=4 38 B12R2.24 O=C1CN2CCNC[C@H]2CO1 F53072 [0,0,0,2,0,0|2,0,0]=4 39 B12R2.1081 O=C1CCNC2CCCCC12 AT25785 [0,0,0,2,0,0|2,0,0]=4 40 B12R2.1081 O=C1OCC[C@H]2CNCCN12 33778 [0,0,0,2,0,0|2,0,0]=4 41 B12R2.2313 O=C1C[C@@H](C2CNC2)CCO1 CS2751 [0,0,0,2,0,0|1,0,0]=3 42 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13184 [0,0,0,2,0,0|2,0,0]=4 43 B12R2.5121 O=C1N[C@]2(CCNC2)CCO1 P13630 [0,0,0,2,0,0|2,0,0]=4 44 B12R2.2918 O=C1NC2(CCCCC2)CO1 F53261 [0,0,0,2,0,0|1,0,0]=3 45 B12R2.1365 CC(=O)N1C2CCC1CNC2 D76234 [0,0,0,2,0,0|2,0,0]=4 46 B12R2.3190 CC(=O)N1C[C@@H]2CCNC[C@@H]21 P13355 [0,0,0,2,0,0|2,0,0]=4 47 B12R2.252 O=C(O)C1CC2CCCC2C1 AT20196 [0,0,0,2,0,0|2,0,0]=4 48 B12R2.5478 O=C1CC2(CCC2)NCCN1 E73086 [0,0,0,2,0,0|2,0,0]=4 49 B12R2.1385 O=C(O)C1CCC2CC2CC1 E73243 [0,0,0,2,0,0|2,0,0]=4