0 B12R0.337 CCCC[C@@H](C(C)=O)C(=O)OCC E53276 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.337 CCOC=C(C(C)=O)C(=O)OCC E50445 [0,0,0,0,0,0|1,0,2]=3 2 B11R0.36 CCCCN(CCCC)C(C)=O D53344 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.57 C=CC[C@@H](C(C)=O)C(=O)OCC E66094 [1,0,0,0,0,0|0,0,2]=3 4 B11R0.191 CCCC[C@H](CC)C(=O)OCC E53338 [1,0,0,0,0,0|0,0,1]=2 5 B13R0.753 CCOC(=O)C(C(C)=O)C(=O)OCC D50454 [0,1,0,0,0,0|1,0,1]=3 6 B13R1.463 CCOC(=O)[C@@H]1CCNCCC1=O E52197 [0,0,0,1,0,0|1,0,0]=2 7 B13R1.463 CCOC(=O)[C@@H]1CCSCCC1=O E10055 [0,0,0,1,0,0|1,0,0]=2 8 B13R1.1511 CCOC(=O)[C@@H]1CCC(=O)C=C1C E53099 [0,0,0,1,0,0|2,0,1]=4 9 B10R0.101 CCOC(=O)[C@@H](CC)C(C)=O E47095 [2,0,0,0,0,0|0,0,0]=2 10 B10R0.19 CCCCC(=O)C(=O)OCC E12153 [2,0,0,0,0,0|0,0,1]=3 11 B10R0.19 CCOC(=O)[C@@H](N)CCCN E63673 [2,0,0,0,0,0|2,0,0]=4 12 B12R0.158 COC(=O)C[C@@H](C(C)=O)C(=O)OC D47042 [1,1,0,0,0,0|1,0,1]=4 13 B14R0.2450 CCOC(=O)[C@H](CCSC)NC(=O)CN E63260 [0,1,0,0,0,1|1,0,0]=3 14 B14R0.713 CCOC(=O)C[C@@H](C(C)=O)C(=O)OCC D53219 [0,1,0,0,0,1|1,0,1]=4 15 B14R0.1084 CCOC(=O)C(CCC#N)C(=O)OCC D53163 [0,2,0,0,0,0|1,0,1]=4 16 B12R1.308 CCOC(=O)C1=C(N)CCCC1 E50468 [1,0,0,1,0,0|1,0,1]=4 17 B12R1.308 CCOC(=O)C1CCCCC1O E50509 [1,0,0,1,0,0|0,0,2]=4 18 B12R1.308 CCOC(=O)[C@@H]1CCCCC1=O E50439 [1,0,0,1,0,0|0,0,0]=2 19 B12R1.308 CCOC(=O)[C@@H]1CCCCN1C E50530 [1,0,0,1,0,0|2,0,0]=4 20 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O E50512 [1,0,0,1,0,0|0,0,2]=4 21 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@H]1O E50513 [1,0,0,1,0,0|0,0,2]=4 22 B12R1.308 CCOC(=O)[C@@H]1CCCN[C@@H]1C E29500 [1,0,0,1,0,0|1,0,1]=4 23 B12R1.308 CCOC(=O)[C@@H]1CCNCC1=O E49554 [1,0,0,1,0,0|1,0,0]=3 24 B12R1.308 CCOC(=O)[C@@H]1CNCCC1=O E15548 [1,0,0,1,0,0|1,0,0]=3 25 B12R1.308 CCOC(=O)[C@@H]1COCCC1=O E37534 [1,0,0,1,0,0|1,0,0]=3 26 B12R1.308 CCOC(=O)[C@@H]1OCCCC1=O E17657 [1,0,0,1,0,0|1,0,0]=3 27 B12R1.1599 CCOC(=O)C1(C(=O)O)CCC1 M66594 [1,0,0,1,0,0|1,0,0]=3 28 B12R1.365 COC(=O)[C@@H]1CCCCCC1=O M50440 [1,0,0,1,0,0|0,0,0]=2 29 B12R1.16 CCOC(=O)C1CCC(N)CC1 E24029 [1,0,0,1,0,0|1,0,1]=4 30 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52205 [1,0,0,1,0,0|1,0,1]=4 31 B12R1.16 CCOC(=O)C1CCC(N)CC1 E52207 [1,0,0,1,0,0|1,0,1]=4 32 B12R1.16 CCOC(=O)C1CCC(N)CO1 E14987 [1,0,0,1,0,0|2,0,0]=4 33 B12R1.16 CCOC(=O)C1CCC(O)CC1 E37902 [1,0,0,1,0,0|1,0,1]=4 34 B12R1.16 CCOC(=O)C1CCC(O)CC1 E50510 [1,0,0,1,0,0|1,0,1]=4 35 B12R1.16 CCOC(=O)C1CCC(O)CO1 E11761 [1,0,0,1,0,0|2,0,0]=4 36 B12R1.16 CCOC(=O)C1CCN(C)CC1 E50535 [1,0,0,1,0,0|1,0,1]=4 37 B12R1.16 CCOC(=O)[C@@H]1CC[C@@H](N)CO1 E14997 [1,0,0,1,0,0|2,0,0]=4 38 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](N)CO1 E14994 [1,0,0,1,0,0|2,0,0]=4 39 B12R1.16 CCOC(=O)[C@H]1CC[C@@H](O)CO1 E14996 [1,0,0,1,0,0|2,0,0]=4 40 B12R1.16 CCOC(=O)[C@H]1CC[C@H](O)CO1 E14995 [1,0,0,1,0,0|2,0,0]=4