0 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,0,0,0,0,0|1,0,0]=1 1 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,0,0,0,0,0|1,0,2]=3 3 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,0,0,0,0,0|0,0,0]=0 4 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [1,0,0,0,0,0|1,0,2]=4 6 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [1,0,0,0,0,0|1,0,0]=2 7 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [1,0,0,0,0,0|1,0,1]=3 10 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [1,0,0,0,0,0|2,0,1]=4 11 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,0,0,0,0,0|1,1,1]=4 14 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,0,0,0,0,0|0,0,2]=3 15 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,0,0,0,0,0|1,0,1]=3 16 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,1,0,0,0,0|2,0,1]=4 17 B11R0.177 CCOC(=O)C(O)C(=O)OCC CNP0135851.0 [0,1,0,0,0,0|0,0,0]=1 18 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,0,0,1,0,0|1,0,2]=4 19 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,0,0,1,0,0|1,0,2]=4 20 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,0,0,1,0,0|1,0,2]=4 21 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,0,0,0,1,0|2,0,0]=3 22 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,0,0,0,1,0|2,0,0]=3 23 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,0,0,0,1,0|2,0,1]=4 24 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,0,0,0,1,0|0,0,0]=1 25 B11R0.62 CCOC(=O)C=CC(=O)OCC CNP0127859.0 [0,0,0,0,0,1|0,0,1]=2 26 B11R0.62 CCOC(=O)CCC(=O)OCC CNP0115480.0 [0,0,0,0,0,1|0,0,0]=1 27 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [2,0,0,0,0,0|1,0,1]=4 28 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [2,0,0,0,0,0|0,0,1]=3 29 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [2,0,0,0,0,0|0,1,1]=4 31 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [2,0,0,0,0,0|1,0,0]=3 32 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [2,0,0,0,0,0|1,0,1]=4 33 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [2,0,0,0,0,0|1,0,1]=4 35 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [2,0,0,0,0,0|1,0,1]=4 36 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [2,0,0,0,0,0|1,0,1]=4 37 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [2,0,0,0,0,0|1,0,0]=3 38 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [2,0,0,0,0,0|1,0,0]=3 39 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [2,0,0,0,0,0|1,0,1]=4 40 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [2,0,0,0,0,0|0,0,0]=2 41 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [2,0,0,0,0,0|1,0,0]=3 42 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [2,0,0,0,0,0|0,0,0]=2 43 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [2,0,0,0,0,0|1,0,1]=4 44 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [2,0,0,0,0,0|0,1,1]=4 45 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [2,0,0,0,0,0|1,0,1]=4 46 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [2,0,0,0,0,0|0,0,2]=4 47 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [2,0,0,0,0,0|0,0,2]=4 48 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [2,0,0,0,0,0|2,0,0]=4 49 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [2,0,0,0,0,0|2,0,0]=4 50 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [2,0,0,0,0,0|1,0,1]=4 52 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [2,0,0,0,0,0|1,0,1]=4 53 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [2,0,0,0,0,0|1,0,1]=4 54 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [2,0,0,0,0,0|1,0,1]=4 55 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [2,0,0,0,0,0|1,0,1]=4 56 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [2,0,0,0,0,0|1,0,0]=3 57 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [2,0,0,0,0,0|1,0,1]=4 58 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [2,0,0,0,0,0|0,0,2]=4 59 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [2,0,0,0,0,0|2,0,0]=4 60 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [2,0,0,0,0,0|0,0,0]=2 61 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [2,0,0,0,0,0|1,0,0]=3 62 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [1,1,0,0,0,0|1,0,0]=3 63 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [1,1,0,0,0,0|1,0,1]=4 64 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [1,1,0,0,0,0|1,0,1]=4 65 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [1,1,0,0,0,0|1,0,1]=4 66 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [1,1,0,0,0,0|1,0,1]=4 67 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [1,1,0,0,0,0|1,0,1]=4 69 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [1,1,0,0,0,0|1,0,1]=4 71 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [1,1,0,0,0,0|1,0,1]=4 72 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [1,1,0,0,0,0|1,0,1]=4 73 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [1,1,0,0,0,0|1,0,1]=4 74 B10R0.7 CCOC(=O)C[C@](C)(O)CC CNP0284617.1 [1,1,0,0,0,0|0,0,2]=4 75 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [1,1,0,0,0,0|1,0,0]=3 76 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [1,1,0,0,0,0|1,0,1]=4 77 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [1,1,0,0,0,0|1,0,1]=4 78 B10R0.46 COC(=O)CC(=O)C(=O)OC CNP0261519.0 [1,1,0,0,0,0|2,0,0]=4 79 B10R0.33 CCCC(=NO)C(=O)OCC CNP0134909.0 [0,1,0,0,1,0|1,0,1]=4 80 B12R0.69 C=C(CC(=O)OCC)C(=O)OCC CNP0201560.0 [0,1,0,0,0,1|0,0,0]=2 81 B12R0.69 CCOC(=O)C[C@@H](O)C(=O)OCC CNP0137916.1 [0,1,0,0,0,1|0,0,0]=2 82 B12R0.69 CCOC(=O)C[C@H](O)C(=O)OCC CNP0137916.2 [0,1,0,0,0,1|0,0,0]=2 83 B12R0.101 CCCNC(=O)NNC(=O)OCC CNP0027764.0 [0,1,0,0,0,1|2,0,0]=4 84 B12R0.103 CCOCC(=O)OC(=O)COCC CNP0181935.0 [0,2,0,0,0,0|1,0,0]=3 85 B12R0.103 NCCNC(=O)CC(=O)NCCN CNP0470683.0 [0,2,0,0,0,0|2,0,0]=4 86 B12R0.239 CCCCOC(=O)CC(=O)OCC CNP0203043.0 [0,2,0,0,0,0|0,0,0]=2 87 B12R0.8 CCOC(=O)C(OC)C(=O)OCC CNP0173280.0 [0,2,0,0,0,0|0,0,0]=2 88 B12R0.22 CCOC(=O)CC(OCC)OCC CNP0175330.0 [0,2,0,0,0,0|0,0,2]=4 89 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [1,0,0,1,0,0|1,0,0]=3 90 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [1,0,0,1,0,0|1,0,1]=4 91 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [1,0,0,1,0,0|1,0,1]=4 92 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [1,0,0,1,0,0|1,0,1]=4 93 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|1,0,1]=4 94 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,0,0,1,1,0|2,0,0]=4 95 B10R1.118 CC1=C[C@@H]([C@H](OC1=O)C)C CNP0135336.1 [0,0,0,1,1,0|2,0,0]=4 96 B12R1.318 CCCC(=O)N[C@H]1CCOC1=O CNP0186467.1 [0,0,0,1,0,1|1,0,0]=3 97 B12R2.2899 C[C@H]1C[C@H]2C[C@@H](O1)CC(=O)O2 CNP0172956.1 [0,0,0,2,0,0|1,0,1]=4 98 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,0,0,0,1,0|1,0,1]=4 99 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,0,0,0,1,0|2,0,0]=4 100 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,0,0,0,1,0|1,0,0]=3 101 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,0,0,0,1,0|0,0,0]=2 102 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [1,0,0,0,1,0|1,0,1]=4 103 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [1,0,0,0,1,0|1,0,1]=4 104 B12R0.285 CCCC(=O)OCOC(=O)CCC CNP0154947.0 [0,0,0,0,0,2|2,0,0]=4 105 B12R0.285 CCOC(=O)CCCC(=O)OCC CNP0480241.0 [0,0,0,0,0,2|0,0,0]=2