0 B10R0.79 CCOC(C=C(Br)Br)OCC CNP0266445.0 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.79 CCOC(CC(=O)C)OCC CNP0288150.0 [0,0,0,0,0,0|1,0,1]=2 2 B10R0.79 CCOC(CC(C)C)OCC CNP0003252.0 [0,0,0,0,0,0|0,0,0]=0 3 B9R0.14 CCCC(CO)CC(C)C CNP0076276.0 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.17 CCCN(CCC)CCC CNP0374055.0 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.17 CCOC(CCN)OCC CNP0294720.0 [1,0,0,0,0,0|1,0,0]=2 6 B9R0.17 CCOC(CCO)OCC CNP0076688.0 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.80 CC1=NC(SC1C)CC(C)C CNP0202504.0 [0,0,0,1,0,0|1,1,1]=4 8 B11R1.157 CC(=C[C@@H]1C[C@@H](CCO1)C)C CNP0197945.4 [0,0,0,1,0,0|1,0,2]=4 9 B11R1.157 CC(=C[C@@H]1C[C@H](CCO1)C)C CNP0197945.2 [0,0,0,1,0,0|1,0,2]=4 10 B11R1.157 CC(=C[C@H]1C[C@@H](CCO1)C)C CNP0197945.1 [0,0,0,1,0,0|1,0,2]=4 11 B11R1.157 CC(=C[C@H]1C[C@H](CCO1)C)C CNP0197945.3 [0,0,0,1,0,0|1,0,2]=4 12 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,0,0,1,0,0|2,0,1]=4 14 B11R1.157 CC(C)OC1CN(CCO1)C CNP0325059.0 [0,0,0,1,0,0|3,0,0]=4 15 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C CNP0180292.2 [0,0,0,1,0,0|3,0,0]=4 16 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C CNP0180292.1 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.157 C[C@@H]1CCC[C@@H](N1)C[C@@H](C)O CNP0140352.2 [0,0,0,1,0,0|3,0,0]=4 18 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@@H](N1)C CNP0140352.3 [0,0,0,1,0,0|3,0,0]=4 19 B11R1.157 C[C@H](O)C[C@@H]1CCC[C@H](N1)C CNP0140352.1 [0,0,0,1,0,0|3,0,0]=4 20 B11R1.342 CCOC1C[N+](CCO1)(C)C CNP0486714.0 [0,0,0,1,0,0|1,0,0]=2 21 B9R0.15 CCOC(OCC)C(=O)O CNP0318292.0 [0,0,0,0,1,0|2,0,1]=4 22 B9R0.15 CCOC(OCC)C(Br)Br CNP0102403.0 [0,0,0,0,1,0|2,0,0]=3 23 B9R0.15 CCOC(OCC)C(C)C CNP0285387.0 [0,0,0,0,1,0|0,0,0]=1 24 B9R0.15 CCOC(OCC)C(C)O CNP0581267.0 [0,0,0,0,1,0|1,0,0]=2 25 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [2,0,0,0,0,0|1,0,1]=4 27 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [2,0,0,0,0,0|1,0,0]=3 28 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [2,0,0,0,0,0|0,0,2]=4 30 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [2,0,0,0,0,0|0,0,0]=2 31 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.16 COC(CC(=O)C)OC CNP0151886.0 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [2,0,0,0,0,0|0,0,0]=2 34 B8R0.22 CCCC(CO)CCC CNP0538708.0 [2,0,0,0,0,0|2,0,0]=4 35 B8R0.22 CCOC(C#N)OCC CNP0261292.0 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.22 CCOC(CC)OCC CNP0017880.0 [2,0,0,0,0,0|0,0,0]=2 37 B10R0.87 CCCCC(CC)CN(C)C CNP0554123.0 [1,1,0,0,0,0|2,0,0]=4 38 B10R0.90 CCCCC(OCC)OCC CNP0384522.0 [1,1,0,0,0,0|0,0,0]=2 39 B10R0.90 CCOC(CCC#N)OCC CNP0252730.0 [1,1,0,0,0,0|0,0,1]=3 40 B10R0.90 CCOC(CCSC)OCC CNP0137752.0 [1,1,0,0,0,0|0,0,0]=2 41 B10R0.107 CCOP(=O)(CCN)OCC CNP0339146.0 [1,1,0,0,0,0|2,0,0]=4 42 B10R0.107 CCOP(=O)(OCC)OCC CNP0443301.0 [1,1,0,0,0,0|2,0,0]=4 43 B12R0.12 CCCC[C@@H](CCC)CCC(C)C CNP0102907.1 [0,1,0,0,0,1|2,0,0]=4 44 B12R0.12 CCCC[C@H](CCC)CCC(C)C CNP0102907.2 [0,1,0,0,0,1|2,0,0]=4 45 B12R0.159 CCOC(OCC)[C@H](O)CC(C)C CNP0102456.1 [0,1,0,0,0,1|0,0,0]=2 46 B12R0.740 CCOP(=O)(CCN(C)C)OCC CNP0017900.0 [0,1,0,0,0,1|2,0,0]=4 47 B12R0.10 CCCCC(CCC)CC(C)CC CNP0584359.0 [0,2,0,0,0,0|2,0,0]=4 48 B12R0.243 CCCCC(CCCC)CC(C)C CNP0393216.0 [0,2,0,0,0,0|2,0,0]=4 49 B12R0.742 CCOP(=O)(OCC)C(=O)C(C)C CNP0067852.0 [0,2,0,0,0,0|1,0,1]=4 50 B12R0.22 CCOC(=O)CC(OCC)OCC CNP0175330.0 [0,2,0,0,0,0|1,0,1]=4 51 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [1,0,0,1,0,0|1,0,0]=3 52 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [1,0,0,1,0,0|2,0,0]=4 53 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [1,0,0,1,0,0|2,0,0]=4 54 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [1,0,0,1,0,0|2,0,0]=4 55 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [1,0,0,1,0,0|2,0,0]=4 56 B10R1.10 CCOC1CN(CCO1)C CNP0000083.0 [1,0,0,1,0,0|1,0,0]=3 57 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [1,0,0,1,0,0|1,0,1]=4 58 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,0,0,1,0,0|1,0,0]=3 59 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [1,0,0,1,0,0|2,0,0]=4 61 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [1,0,0,1,0,0|2,0,0]=4 62 B10R1.171 COC1C[N+](CCO1)(C)C CNP0526598.0 [1,0,0,1,0,0|1,0,0]=3 63 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [0,0,0,1,1,0|2,0,0]=4 64 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,0,0,1,1,0|2,0,0]=4 65 B12R1.101 CC(C)CC1NC(SC(S1)C)C CNP0002497.0 [0,1,0,1,0,0|1,1,0]=4 66 B12R1.101 CC(C)CC1SC(NC(S1)C)C CNP0009096.0 [0,1,0,1,0,0|0,2,0]=4 67 B12R1.392 CC(=O)CC1OCCC1C(C)C CNP0611355.0 [0,1,0,1,0,0|1,0,1]=4 68 B12R1.1821 CC(=O)OC1C[N+](CCO1)(C)C CNP0579930.0 [0,1,0,1,0,0|1,0,1]=4 69 B12R1.1821 CC(C)OC1C[N+](CCO1)(C)C CNP0511139.0 [0,1,0,1,0,0|1,0,0]=3 70 B12R1.66 CC[C@@H]1OC(O[C@H]1C)CC(C)C CNP0085368.1 [0,1,0,1,0,0|0,0,0]=2 71 B12R1.887 C#CCOC1C[N+](CCO1)(C)C CNP0526089.0 [0,1,0,1,0,0|1,0,1]=4 72 B12R1.887 CCCOC1C[N+](CCO1)(C)C CNP0530598.0 [0,1,0,1,0,0|1,0,0]=3 73 B12R1.4566 CCOP(=O)(OCC)[C@@H]1O[C@@H]1C CNP0319034.1 [0,1,0,1,0,0|2,0,0]=4 74 B12R2.246 C[C@@H]1C[C@H]2CCCN2[C@@H](C1)C CNP0246355.1 [0,0,0,2,0,0|2,0,0]=4 75 B12R2.1153 C[C@H]1C[C@H]2CCC[C@](O2)(O1)C CNP0404483.1 [0,0,0,2,0,0|2,0,0]=4 76 B12R2.1661 CC(C)CC1CC2CCC1C2 CNP0076028.0 [0,0,0,2,0,0|2,0,0]=4 77 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [1,0,0,0,1,0|1,0,0]=3 78 B8R0.15 CC[C@@H](CCO)C(C)C CNP0310807.1 [1,0,0,0,1,0|2,0,0]=4 79 B8R0.15 CC[C@H](CCO)C(C)C CNP0310807.2 [1,0,0,0,1,0|2,0,0]=4 80 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [1,0,0,0,0,1|1,0,0]=3