0 B12R0.98 CSCC[C@H](N)C(=O)NCC(=O)O CNP0349946.1 [0,0,0,0,0,0|0,0,0]=0 1 B12R0.98 NCCC[C@H](N)C(=O)NCC(=O)O CNP0217129.1 [0,0,0,0,0,0|2,0,0]=2 2 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [1,0,0,0,0,0|2,0,1]=4 3 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [1,0,0,0,0,0|3,0,0]=4 4 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,0,0,0,0,0|2,0,0]=3 5 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [1,0,0,0,0,0|1,0,0]=2 6 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [1,0,0,0,0,0|3,0,0]=4 7 B13R0.128 CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)O CNP0586297.1 [0,1,0,0,0,0|0,0,0]=1 8 B13R0.139 NCCCC[C@H](N)C(=O)NCC(=O)O CNP0576852.1 [0,1,0,0,0,0|1,0,0]=2 9 B13R0.349 NC(=O)CC[C@H](N)C(=O)NCC(=O)O CNP0499775.1 [0,1,0,0,0,0|2,0,0]=3 10 B13R0.349 N[C@@H](CCC(=O)O)C(=O)NCC(=O)O CNP0549576.1 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.45 O=C(O)CNC(=O)C1=CCCCC1 CNP0219408.0 [0,0,0,1,0,0|2,0,1]=4 12 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 CNP0343707.0 [0,0,0,1,0,0|2,0,0]=3 13 B13R1.129 O=C(O)CNC(=O)[C@@H]1CCC(=N1)O CNP0546826.1 [0,0,0,1,0,0|2,0,1]=4 14 B13R1.562 CCCC[C@@H]1C[C@@H](OC1=O)C(=O)O CNP0274181.2 [0,0,0,1,0,0|3,0,0]=4 15 B13R1.562 CCCC[C@@H]1C[C@H](OC1=O)C(=O)O CNP0274181.1 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.562 CCCC[C@H]1C[C@@H](OC1=O)C(=O)O CNP0274181.3 [0,0,0,1,0,0|3,0,0]=4 17 B13R1.562 CCCC[C@H]1C[C@H](OC1=O)C(=O)O CNP0274181.4 [0,0,0,1,0,0|3,0,0]=4 18 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [2,0,0,0,0,0|1,0,1]=4 19 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [2,0,0,0,0,0|0,1,1]=4 20 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [2,0,0,0,0,0|2,0,0]=4 21 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [2,0,0,0,0,0|2,0,0]=4 22 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [2,0,0,0,0,0|0,0,0]=2 23 B10R0.57 CCC(C)C(=O)NCC(=O)O CNP0082309.0 [2,0,0,0,0,0|1,0,0]=3 24 B10R0.57 N[C@@H](CO)C(=O)NCC(=O)O CNP0571395.1 [2,0,0,0,0,0|0,1,0]=3 25 B10R0.57 N[C@@H](CS)C(=O)NCC(=O)O CNP0415788.1 [2,0,0,0,0,0|0,0,0]=2 26 B12R0.44 O=C(O)CCCC(=O)NCC(=O)O CNP0041639.0 [1,1,0,0,0,0|2,0,0]=4 27 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [1,1,0,0,0,0|2,0,0]=4 28 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [1,1,0,0,0,0|2,0,0]=4 29 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [1,1,0,0,0,0|2,0,0]=4 30 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [1,1,0,0,0,0|1,0,0]=3 31 B12R0.88 CCC(C)C(N)C(=O)NCC(=O)O CNP0468839.0 [1,1,0,0,0,0|0,0,0]=2 32 B12R0.258 CC(C)CC(N)C(=O)NCC(=O)O CNP0454696.0 [1,1,0,0,0,0|0,0,0]=2 33 B12R0.258 CC(C)C[C@@H](O)C(=O)NCC(=O)O CNP0442682.1 [1,1,0,0,0,0|1,0,0]=3 34 B12R0.258 NC(=O)C[C@H](N)C(=O)NCC(=O)O CNP0479598.1 [1,1,0,0,0,0|0,1,1]=4 35 B12R0.258 N[C@@H](CC(=O)O)C(=O)NCC(=O)O CNP0601769.1 [1,1,0,0,0,0|0,1,1]=4 36 B14R0.403 C[C@@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O CNP0108237.1 [0,2,0,0,0,0|2,0,0]=4 37 B14R0.403 C[C@H](NC(=O)[C@@H](N)CCC(=O)N)C(=O)O CNP0480697.1 [0,2,0,0,0,0|2,0,0]=4 38 B14R0.241 C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O CNP0599289.1 [0,2,0,0,0,0|1,0,0]=3 39 B14R0.591 CSCCC(N)C(=O)NC(CS)C(=O)O CNP0531675.0 [0,2,0,0,0,0|0,0,0]=2 40 B14R0.591 CSCC[C@H](N)C(=O)N[C@@H](CO)C(=O)O CNP0500686.1 [0,2,0,0,0,0|0,0,0]=2 41 B12R1.2838 N[C@H]1CCCNC(=O)CNC1=O CNP0351657.1 [1,0,0,1,0,0|2,0,0]=4 42 B12R1.54 O=C(O)CNC(=O)C1CCCN1 CNP0292458.0 [1,0,0,1,0,0|2,0,0]=4 43 B12R1.54 O=C(O)CNC(=O)[C@@H]1CCCN1 CNP0292458.1 [1,0,0,1,0,0|2,0,0]=4 44 B12R1.210 NC(=O)CN1CCCCCC1=O CNP0389880.0 [1,0,0,1,0,0|2,0,0]=4 45 B14R1.423 O=C(O)CNC(=O)NC1CCCCC1 CNP0486749.0 [0,0,0,1,0,1|2,0,0]=4 46 B14R1.417 CN(CC(=O)O)C(=O)C1CCCCC1 CNP0323989.0 [0,1,0,1,0,0|2,0,0]=4 47 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [1,0,0,0,1,0|1,0,0]=3