0 B11R0.30 CC(=O)CCCCCCC(=O)C Z1198162235 [1,0,0,0,0,0|2,0,1]=4 1 B11R0.30 CC(=O)CCCCCCC(=O)O Z1262510893 [1,0,0,0,0,0|1,0,1]=3 2 B11R0.30 CC(=O)NCCCCCC(=O)O Z56914861 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.30 CC(C)CCNCCCC(=O)O Z1696091863 [1,0,0,0,0,0|2,0,0]=3 4 B11R0.30 NC(=O)NCCCCCC(=O)O Z90122369 [1,0,0,0,0,0|2,0,1]=4 5 B11R0.30 O=C(O)CCCCCCC(=O)O Z104473456 [1,0,0,0,0,0|2,0,1]=4 6 B11R0.111 CCC(N)COCCCC(=O)O Z5332674953 [1,0,0,0,0,0|1,0,0]=2 7 B13R1.587 CC(C)C1CC(CCO1)CC(=O)O Z1192343580 [0,0,0,1,0,0|3,0,0]=4 8 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O Z1459951260 [0,0,0,1,0,0|3,0,0]=4 9 B11R0.29 CC(=O)C(C)CCCCC(=O)O Z1262513809 [0,0,0,0,1,0|2,0,1]=4 10 B10R0.4 C#CCCCCCCC(=O)O Z1255435221 [2,0,0,0,0,0|0,0,2]=4 11 B10R0.4 CC(=O)OCCCCCCN Z5197785028 [2,0,0,0,0,0|2,0,0]=4 12 B10R0.4 CCCCCCCCC(=O)N Z296759818 [2,0,0,0,0,0|1,0,0]=3 13 B10R0.4 CCCCCCCCC(=O)O Z104473336 [2,0,0,0,0,0|0,0,0]=2 14 B10R0.4 CCCCCCCCS(=O)C Z1198155780 [2,0,0,0,0,0|2,0,0]=4 15 B10R0.4 CCCCCCOCC(=O)O Z362795556 [2,0,0,0,0,0|1,0,0]=3 16 B10R0.4 CCOCCCCCC(=O)O Z1219750577 [2,0,0,0,0,0|1,0,0]=3 17 B10R0.4 COCCCOCCC(=O)O Z608071756 [2,0,0,0,0,0|2,0,0]=4 18 B10R0.4 COCCOCCCC(=O)O Z316259206 [2,0,0,0,0,0|2,0,0]=4 19 B10R0.4 CSCCCCCCC(=O)O Z1262519805 [2,0,0,0,0,0|1,0,0]=3 20 B10R0.4 NCCCCCCCC(=O)O Z1201625777 [2,0,0,0,0,0|0,0,0]=2 21 B10R0.97 CC(C)CCCCCC(=O)O Z1198149402 [2,0,0,0,0,0|1,0,0]=3 22 B12R0.44 CC(N)CCC(=O)NCCC(=O)O Z1190333062 [1,1,0,0,0,0|1,0,1]=4 23 B12R0.44 CC(N)CNC(=O)CCCC(=O)O Z2210828117 [1,1,0,0,0,0|1,0,1]=4 24 B12R0.137 CC(C)(C)NCCCCCC(=O)O Z1219761662 [1,1,0,0,0,0|2,0,0]=4 25 B12R0.137 NS(=O)(=O)CCCCCCC(=O)O Z1509019823 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.226 CC1CCCC(C1)OCC(=O)O Z362795694 [1,0,0,1,0,0|2,0,0]=4 27 B12R1.226 CN1CCCC(C1)CCC(=O)O Z3244908710 [1,0,0,1,0,0|2,0,0]=4 28 B12R1.226 NC1CCCN(C1)CCC(=O)O Z4449634242 [1,0,0,1,0,0|1,0,0]=3 29 B12R1.226 O=C(O)CCC1CCCC(=O)N1 Z1262514420 [1,0,0,1,0,0|1,0,1]=4 30 B12R1.226 O=C(O)CCC1CCCC(C1)O Z2195333402 [1,0,0,1,0,0|1,0,0]=3 31 B12R1.226 O=C(O)CC[C@H]1CCC[C@H](C1)O Z4606560762 [1,0,0,1,0,0|1,0,0]=3 32 B12R1.261 CC(C)C1CNCCC1C(=O)O Z3711495838 [1,0,0,1,0,0|2,0,0]=4 33 B12R1.261 CC(C)C1OCCCC1C(=O)O Z1318264633 [1,0,0,1,0,0|2,0,0]=4 34 B12R1.261 CC(C)N1CCCCC1C(=O)O Z1259339941 [1,0,0,1,0,0|2,0,0]=4 35 B12R1.261 CC(C)[C@@H]1CNCC[C@@H]1C(=O)O Z3710256776 [1,0,0,1,0,0|2,0,0]=4 36 B12R1.261 CC(C)[C@@H]1OCCC[C@H]1C(=O)O Z2262041787 [1,0,0,1,0,0|2,0,0]=4 37 B12R1.261 NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O Z1955831204 [1,0,0,1,0,0|1,0,1]=4 38 B12R1.391 CC1(CCCCC1CC(=O)O)C Z1262519043 [1,0,0,1,0,0|1,0,0]=3 39 B12R1.391 CC1(CCCOC1CC(=O)O)C Z3327126155 [1,0,0,1,0,0|2,0,0]=4 40 B12R1.392 CC(C)C[C@@H]1CNC[C@H]1C(=O)O Z4185518781 [1,0,0,1,0,0|2,0,0]=4 41 B12R1.392 CC(C)N1CCCC1CC(=O)O Z1480642730 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.874 O=C(O)CC1CCCCC(=O)N1 Z1262554304 [1,0,0,1,0,0|1,0,1]=4 43 B12R1.1011 O=C1CCCCCC(C1)C(=O)O Z1262523591 [1,0,0,1,0,0|1,0,1]=4 44 B12R1.21 CC1CCC(CC1)OCC(=O)O Z316259148 [1,0,0,1,0,0|2,0,0]=4 45 B12R1.21 CC1CCN(CC1)CCC(=O)O Z53118087 [1,0,0,1,0,0|2,0,0]=4 46 B12R1.21 CN1CCC(CC1)CCC(=O)O Z3300708687 [1,0,0,1,0,0|2,0,0]=4 47 B12R1.21 NC(=O)CCN1CCC(CC1)N Z4170200070 [1,0,0,1,0,0|2,0,0]=4 48 B12R1.21 O=C(O)CCC1CCC(CC1)O Z1198728321 [1,0,0,1,0,0|1,0,0]=3 49 B12R1.21 O=C(O)CCN1CCC(CC1)O Z803145326 [1,0,0,1,0,0|2,0,0]=4 50 B12R1.21 O=C(O)CC[C@H]1CC[C@H](CC1)O Z4957401425 [1,0,0,1,0,0|1,0,0]=3 51 B12R1.438 CCC1CC(CCO1)CC(=O)O Z1192343584 [1,0,0,1,0,0|2,0,0]=4 52 B12R1.438 CCC1CCCN(C1)CC(=O)O Z1341228146 [1,0,0,1,0,0|2,0,0]=4 53 B12R1.19 CC1CCC(CC1C)CC(=O)O Z1250017414 [0,0,0,1,1,0|2,0,0]=4 54 B12R1.1056 CC1(C(CC1CCC(=O)O)N)C Z2442102811 [0,0,0,1,1,0|1,0,0]=3 55 B14R1.9551 CC1CCC(C1(C)C)CCCC(=O)O Z1251415365 [0,0,0,1,0,1|2,0,0]=4 56 B10R0.55 CCC(C)CCCCC(=O)O Z1198160151 [1,0,0,0,1,0|1,0,0]=3 57 B10R0.55 NCC(=O)CCCCC(=O)O Z1262545972 [1,0,0,0,1,0|1,0,1]=4 58 B10R0.98 CC(C)C(N)CCCC(=O)O Z4573099344 [0,0,0,0,2,0|1,0,0]=3