0 B10R0.84 CC(=O)CCC(C=O)C(C)C CNP0611984.0 [0,0,0,0,0,0|1,0,3]=4 1 B10R0.84 CC(C)CC=C(C=O)C(C)C CNP0259933.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.84 CC(C)CCC(CO)C(C)C CNP0076818.0 [0,0,0,0,0,0|0,0,4]=4 3 B9R0.7 C=C(C)C(=O)OCC(C)C CNP0097521.0 [1,0,0,0,0,0|1,0,2]=4 4 B9R0.7 C=C(C)COC(=O)C(C)C CNP0104203.0 [1,0,0,0,0,0|1,0,2]=4 5 B9R0.7 CC(C)COC(=O)C(C)C CNP0146650.0 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.7 CC(C)COC(=O)[C@@H](N)O CNP0184360.1 [1,0,0,0,0,0|3,0,0]=4 7 B11R0.28 CC(=C(C=CC(C)O)C(C)C)C CNP0479615.0 [0,1,0,0,0,0|2,0,1]=4 8 B11R0.28 CC(=O)C(=C(C)O)C=NC(C)C CNP0459364.0 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.166 C=C1CC(CCC1=C(C)C)C CNP0084860.0 [0,0,0,1,0,0|1,0,2]=4 10 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [0,0,0,1,0,0|0,0,2]=3 11 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [0,0,0,1,0,0|0,0,2]=3 12 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [0,0,0,1,0,0|0,0,0]=1 13 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,0,0,1,0,0|0,0,2]=3 14 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [0,0,0,1,0,0|0,0,2]=3 15 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,0,0,1,0,0|0,0,2]=3 16 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,0,0,1,0,0|0,0,2]=3 17 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,0,0,1,0,0|0,0,2]=3 18 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,0,0,1,0,0|0,0,2]=3 19 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [0,0,0,1,0,0|0,0,2]=3 20 B11R1.166 CC1CCC(C(=S)C1)C(C)C CNP0266622.0 [0,0,0,1,0,0|0,1,2]=4 21 B11R1.390 CC1=C(CCC(C1)(C)C)C=O CNP0106998.0 [0,0,0,1,0,0|0,0,2]=3 22 B11R1.390 C[C@@H]1CC(CC=C1CO)(C)C CNP0332441.2 [0,0,0,1,0,0|0,0,2]=3 23 B11R1.390 C[C@H]1CC(CC=C1CO)(C)C CNP0332441.1 [0,0,0,1,0,0|0,0,2]=3 24 B11R1.727 CC(C)C1=CC[C@@](CC1)(C)O CNP0140694.2 [0,0,0,1,0,0|2,0,1]=4 25 B11R1.727 CC(C)C1=CC[C@](CC1)(C)O CNP0140694.1 [0,0,0,1,0,0|2,0,1]=4 26 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [2,0,0,0,0,0|0,0,1]=3 27 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [2,0,0,0,0,0|1,0,1]=4 29 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [2,0,0,0,0,0|1,0,0]=3 30 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [2,0,0,0,0,0|0,0,1]=3 31 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [2,0,0,0,0,0|1,0,1]=4 32 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [2,0,0,0,0,0|1,0,0]=3 33 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [2,0,0,0,0,0|0,0,2]=4 36 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [2,0,0,0,0,0|1,0,1]=4 39 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [2,0,0,0,0,0|0,0,2]=4 41 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [2,0,0,0,0,0|0,0,2]=4 42 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [2,0,0,0,0,0|0,0,2]=4 43 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [2,0,0,0,0,0|0,0,0]=2 44 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [2,0,0,0,0,0|0,0,2]=4 45 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [2,0,0,0,0,0|0,0,2]=4 46 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [2,0,0,0,0,0|1,0,1]=4 48 B10R0.57 CC=C(C)C(=O)NCC(C)C CNP0353529.0 [1,1,0,0,0,0|1,0,1]=4 49 B10R0.57 CC=C(C)C(=O)OCC(C)C CNP0164553.0 [1,1,0,0,0,0|1,0,1]=4 50 B10R0.57 CCC(C)C(=O)OCC(C)C CNP0380651.0 [1,1,0,0,0,0|1,0,0]=3 51 B10R0.82 C=C[C@@H](C)CCC(=O)C(C)C CNP0311508.1 [1,1,0,0,0,0|0,0,2]=4 52 B10R0.82 C=C[C@H](C)CCC(=O)C(C)C CNP0311508.2 [1,1,0,0,0,0|0,0,2]=4 53 B10R0.82 CC=C(C)COC(=O)C(C)C CNP0582897.0 [1,1,0,0,0,0|1,0,1]=4 54 B10R0.82 CC[C@H](C)COC(=O)C(C)C CNP0174044.1 [1,1,0,0,0,0|1,0,0]=3 55 B10R0.93 CC(C)C(=O)OC(=O)C(C)C CNP0300991.0 [1,1,0,0,0,0|1,0,1]=4 56 B10R0.162 CC(C)CC(C(=O)O)C(C)C CNP0510009.0 [0,1,0,0,1,0|0,0,1]=3 57 B10R0.162 CC(C)C[C@@H](C(=O)O)N(C)C CNP0583312.1 [0,1,0,0,1,0|1,0,1]=4 58 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,0,0,1,0,0|0,0,1]=3 59 B10R1.13 CC(C)C1=CC[C@@H](CC1)C CNP0287005.1 [1,0,0,1,0,0|0,0,1]=3 60 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,0,0,1,0,0|0,0,1]=3 61 B10R1.13 CC(C)C1=CC[C@H](CC1)C CNP0287005.2 [1,0,0,1,0,0|0,0,1]=3 62 B10R1.147 C[C@@H]1CC(CCC1=O)(C)C CNP0194995.1 [1,0,0,1,0,0|0,0,1]=3 63 B10R1.471 CC1(OOC(=O)C1(C)C)C CNP0034186.0 [1,0,0,1,0,0|2,0,0]=4 64 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [1,0,0,1,0,0|0,0,2]=4 65 B10R1.61 CC(=C1CCCCC1=O)C CNP0262850.0 [1,0,0,1,0,0|0,0,2]=4 66 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [1,0,0,1,0,0|0,0,2]=4 67 B10R1.61 CC1=C(NCCC1)C(C)C CNP0344848.0 [1,0,0,1,0,0|2,0,0]=4 68 B10R1.61 CC1=C(SCCC1)C(C)C CNP0344856.0 [1,0,0,1,0,0|2,0,0]=4 69 B10R1.194 CC(C)C1=CCC(C1=O)C CNP0116593.0 [1,0,0,1,0,0|0,0,0]=2 70 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [1,0,0,1,0,0|1,0,1]=4 71 B12R1.861 CC(C)CCC1=C[C@H](OC1=O)C CNP0324471.1 [0,0,0,1,0,1|1,0,1]=4 72 B12R1.66 CC1=C(OC(=C1)CC(C)C)C=O CNP0170259.0 [0,0,0,1,0,1|0,0,2]=4 73 B12R1.256 CC(C)C1=CN=C(C=N1)C(C)C CNP0352769.0 [0,0,0,1,0,1|1,0,1]=4 74 B12R1.829 CC(C)C1CCC(CC1=O)(C)O CNP0533734.0 [0,1,0,1,0,0|0,0,2]=4 75 B12R1.829 CC(C)C1CCC(CC1=O)(C)S CNP0146123.0 [0,1,0,1,0,0|0,0,2]=4 76 B12R1.829 CC1=C(CCC(C1)(C)C)C(=O)O CNP0169968.0 [0,1,0,1,0,0|0,0,2]=4 77 B12R1.3140 CC1(CC[C@@H](C1(C)C)C(=O)N)C CNP0053421.1 [0,1,0,1,0,0|0,0,2]=4 78 B12R1.3140 CC1(CC[C@@H](C1(C)C)C(=O)O)C CNP0463374.2 [0,1,0,1,0,0|0,0,2]=4 79 B12R1.3140 CC1(CC[C@H](C1(C)C)C(=O)N)C CNP0053421.2 [0,1,0,1,0,0|0,0,2]=4 80 B12R1.3140 CC1(CC[C@H](C1(C)C)C(=O)O)C CNP0463374.1 [0,1,0,1,0,0|0,0,2]=4 81 B12R1.893 CC(C)[C@@H]1CC[C@@H]([C@H](C1=O)C)C CNP0323339.1 [0,1,0,1,0,0|0,0,2]=4 82 B12R1.1988 CC1=CC=C(C([C@@H]1O)(C)C)C=O CNP0304054.1 [0,1,0,1,0,0|0,0,2]=4 83 B12R1.1988 CC1=CC=C(C([C@H]1O)(C)C)C=O CNP0304054.2 [0,1,0,1,0,0|0,0,2]=4 84 B12R1.258 CC(C)C1=CC=CC(=C1)C(C)C CNP0079809.0 [0,1,0,1,0,0|1,0,1]=4 85 B12R1.1218 CC(C)[C@@H]1CC[C@H](CC(=O)O1)C CNP0261040.1 [0,1,0,1,0,0|0,0,2]=4 86 B12R1.1218 CC(C)[C@H]1CC[C@H](CC(=O)O1)C CNP0261040.2 [0,1,0,1,0,0|0,0,2]=4 87 B12R1.232 CC(C)C1CC(C(CC1=O)C)O CNP0132405.0 [0,1,0,1,0,0|0,0,2]=4 88 B12R1.232 CC(C)[C@H]1CC([C@H](CC1=O)C)O CNP0132405.1 [0,1,0,1,0,0|0,0,2]=4 89 B12R1.1897 CC1=CC(C(=C[C@@H]1O)C=O)(C)C CNP0236419.1 [0,1,0,1,0,0|0,0,2]=4 90 B12R1.126 C[C@@H]1CC=C(C(=O)C1)C(C)(C)O CNP0237316.1 [0,1,0,1,0,0|0,0,0]=2 91 B12R1.126 C[C@@H]1CC=C([C@@H](C1)O)C(C)(C)O CNP0170250.1 [0,1,0,1,0,0|0,0,2]=4 92 B12R1.126 C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)O CNP0188800.1 [0,1,0,1,0,0|0,0,2]=4 93 B12R1.126 C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)S CNP0179506.1 [0,1,0,1,0,0|0,0,2]=4 94 B12R1.126 C[C@H]1CC=C(C(=O)C1)C(C)(C)O CNP0237316.2 [0,1,0,1,0,0|0,0,0]=2 95 B12R1.126 C[C@H]1CC[C@@H](C(=O)C1)C(C)(C)O CNP0188800.2 [0,1,0,1,0,0|0,0,2]=4 96 B12R1.754 C=CC1=C(CC(CC1(C)C)O)C CNP0541513.0 [0,1,0,1,0,0|2,0,0]=4 97 B12R1.754 CC1=C(C(C[C@@H](C1)O)(C)C)C=O CNP0179468.1 [0,1,0,1,0,0|1,0,0]=3 98 B12R1.754 CC1=C(C(C[C@H](C1)O)(C)C)C=O CNP0179468.2 [0,1,0,1,0,0|1,0,0]=3 99 B12R1.798 CC1(CC(=O)C(=C(C1)O)C=O)C CNP0476149.0 [0,1,0,1,0,0|1,0,1]=4 100 B12R1.911 CC(C)[C@@]1(CC[C@@H](CC1=O)C)O CNP0301211.1 [0,1,0,1,0,0|0,0,2]=4 101 B12R2.774 CC1CC(=O)C2(C1C2)C(C)C CNP0488040.0 [0,0,0,2,0,0|0,0,2]=4 102 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [1,0,0,0,1,0|1,0,1]=4 103 B8R0.23 CC(=O)CC(=O)C(C)C CNP0109827.0 [1,0,0,0,1,0|1,0,1]=4 104 B8R0.23 CC(C)CC(=O)C(C)O CNP0003258.0 [1,0,0,0,1,0|1,0,0]=3 105 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [1,0,0,0,1,0|0,0,2]=4 106 B8R0.23 CC(C)OC(=O)C(C)C CNP0251914.0 [1,0,0,0,1,0|1,0,0]=3 107 B8R0.23 CN(C)CC(=O)N(C)C CNP0095024.0 [1,0,0,0,1,0|2,0,0]=4 108 B8R0.18 CC(C)C(=NO)C(C)C CNP0192738.0 [0,0,0,0,2,0|1,0,1]=4 109 B10R0.96 CC(C)C=CC(=O)CC(C)C CNP0168890.0 [1,0,0,0,0,1|0,0,1]=3 110 B10R0.96 CC(C)CNC(=O)CC(C)C CNP0439722.0 [1,0,0,0,0,1|1,0,0]=3 111 B10R0.96 CC(C)COC(=O)CC(C)C CNP0361085.0 [1,0,0,0,0,1|1,0,0]=3 112 B10R0.98 CC(=CCOC(=O)C(C)C)C CNP0003209.0 [1,0,0,0,0,1|1,0,1]=4 113 B10R0.98 CC(=CCSC(=O)C(C)C)C CNP0197381.0 [1,0,0,0,0,1|1,0,1]=4 114 B10R0.98 CC(C)C/C=C/[C@@H](C)C(C)C CNP0596701.1 [1,0,0,0,0,1|0,0,2]=4 115 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [1,0,0,0,0,1|0,0,1]=3 116 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [1,0,0,0,0,1|1,0,1]=4