0 B11R0.148 NCCOCCOCCC(=O)O AT17018 [0,0,0,0,0,0|3,0,0]=3 1 B12R0.234 CNCCOCCOCCC(=O)O C70428 [0,1,0,0,0,0|2,0,0]=3 2 B12R0.234 NCCOCCOCCCC(=O)O C70534 [0,1,0,0,0,0|2,0,0]=3 3 B12R0.248 C#CCCCCCCCC(=O)OC AT21757 [0,1,0,0,0,0|0,0,2]=3 4 B12R0.248 COC(=O)CCOCCOCCO C70643 [0,1,0,0,0,0|3,0,0]=4 5 B12R1.75 COC1CCCNC1CC(C)=O F31309 [0,0,0,1,0,0|3,0,0]=4 6 B12R1.252 O=C(O)CCC[C@H]1CCCNC1 AT26065 [0,0,0,1,0,0|1,0,0]=2 7 B9R0.2 CNCCOCCC(=O)O C70436 [2,0,0,0,0,0|2,0,0]=4 8 B9R0.45 CC\C=C\CCCCC=O P17001 [2,0,0,0,0,0|0,0,2]=4 9 B11R0.40 C#CCCCCCCC(=O)OC AT21756 [1,1,0,0,0,0|0,0,2]=4 10 B11R0.42 C=CCCCCC[C@H](N)C(=O)O AT26063 [1,1,0,0,0,0|0,0,2]=4 11 B11R0.42 C=CCCCCC[C@H](N)C(=O)O D77428 [1,1,0,0,0,0|0,0,2]=4 12 B13R0.442 [2H]C([2H])([2H])CCCCCCCC(=O)O D98147 [0,2,0,0,0,0|1,0,0]=3 13 B13R0.54 C#CCCCCCCCCCC(=O)O AT21759 [0,2,0,0,0,0|0,0,0]=2 14 B13R0.54 CCCCCCCCCC[13CH2]C(=O)O D99165 [0,2,0,0,0,0|0,0,0]=2 15 B13R0.54 O=C(O)COCCOCCOCCBr C70208 [0,2,0,0,0,0|2,0,0]=4 16 B13R0.147 C#CCCCCCCCCC(=O)OC AT21758 [0,2,0,0,0,0|0,0,1]=3 17 B13R0.147 NCCCCCCCCNC(=O)CBr D75659 [0,2,0,0,0,0|2,0,0]=4 18 B13R0.2 CCOC(=O)COCCCCCCO AT19957 [0,2,0,0,0,0|2,0,0]=4 19 B11R1.86 N[C@H]1CCCC[C@H]1CC(=O)O AT25974 [1,0,0,1,0,0|1,0,0]=3 20 B11R1.91 O=C(O)CC[C@H]1CCCCN1 AT26066 [1,0,0,1,0,0|1,0,0]=3 21 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95579 [1,0,0,1,0,0|1,0,0]=3 22 B11R1.91 O=C(O)CC[C@H]1CCCNC1 95580 [1,0,0,1,0,0|1,0,0]=3 23 B11R1.91 O=C(O)CC[C@H]1CNCCO1 AT21854 [1,0,0,1,0,0|2,0,0]=4 24 B11R1.91 O=C(O)CC[C@H]1COCCN1 58481 [1,0,0,1,0,0|2,0,0]=4 25 B11R1.91 O=C(O)CC[C@H]1COCCN1 58482 [1,0,0,1,0,0|2,0,0]=4 26 B11R1.91 O=C(O)CNC1CCNCC1 D76844 [1,0,0,1,0,0|2,0,0]=4 27 B11R1.143 N[C@H]1CCCCC[C@H]1C(=O)O E73099 [1,0,0,1,0,0|1,0,0]=3 28 B11R1.28 OCCCC[C@H]1CCCNC1 AC2720 [1,0,0,1,0,0|1,0,1]=4 29 B11R1.180 CCCCCN1CCCC1=O 65138 [1,0,0,1,0,0|1,0,0]=3 30 B13R1.337 O=C(O)CCCCC1CCNCC1 AC9337 [0,1,0,1,0,0|0,0,0]=2 31 B13R1.718 COC(=O)CCCN1CCNCC1 AT19960 [0,1,0,1,0,0|2,0,0]=4 32 B13R1.718 COC(=O)CNCC1CCCCC1 D76512 [0,1,0,1,0,0|1,0,0]=3 33 B13R1.351 N[C@@H](COC1CCOCC1)C(=O)O D76452 [0,1,0,1,0,0|2,0,0]=4 34 B13R2.430 O=C(O)[C@H]1CC[C@H]2NCC[C@H]2C1 AT26031 [0,0,0,2,0,0|1,0,0]=3 35 B13R2.435 O=C(O)C1CC2COCCN2C1 AT24001 [0,0,0,2,0,0|2,0,0]=4 36 B13R2.435 O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 FD7233 [0,0,0,2,0,0|1,0,0]=3 37 B13R2.3101 O=C(O)C1CC12CCCCC2=O D73353 [0,0,0,2,0,0|1,0,1]=4 38 B13R2.4742 N[C@H]1C[C@@H]2CC[C@H]1C[C@@H]2C(=O)O AT21009 [0,0,0,2,0,0|1,0,0]=3 39 B13R2.4742 O=C1CC2CCC1CC2C(=O)O AT20241 [0,0,0,2,0,0|1,0,1]=4 40 B13R2.4742 O=C1C[C@@H]2CC[C@H]1C[C@@H]2C(=O)O AT21006 [0,0,0,2,0,0|1,0,1]=4 41 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2CCNCC2 AT12924 [0,0,0,2,0,0|1,0,0]=3 42 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2CCOCC2 AT12955 [0,0,0,2,0,0|1,0,0]=3 43 B13R2.437 O=C(O)[C@H]1CCC12CCOCC2 D73472 [0,0,0,2,0,0|1,0,0]=3 44 B13R2.35 O=C(O)C1CNCC12CCOC2 E72847 [0,0,0,2,0,0|2,0,0]=4 45 B13R2.35 O=C(O)[C@H]1CNCC12CCCC2 S11320 [0,0,0,2,0,0|1,0,0]=3 46 B13R2.13663 O=C(O)C12CCOC1CCOC2 E73122 [0,0,0,2,0,0|2,0,0]=4 47 B13R2.13663 O=C(O)C12CCOCC1CNC2 E72973 [0,0,0,2,0,0|2,0,0]=4 48 B13R2.13779 O=C(O)C1C2CNCC1COC2 E72816 [0,0,0,2,0,0|2,0,0]=4 49 B13R2.13776 O=C(O)C1C2CCCCCCC21 E72793 [0,0,0,2,0,0|0,0,0]=2