0 B10R1.15 CC(=NO)C1CCCCC1 CNP0071065.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,0,0,0,0,0|2,0,2]=4 2 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,0,0,0,0,0|1,0,2]=3 7 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,0,0,0,0,0|0,0,2]=2 8 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,0,0,0,0,0|0,0,0]=0 9 B10R1.15 COC(=O)C1CSSSC1 CNP0208641.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [1,0,0,0,0,0|0,0,2]=3 13 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [1,0,0,0,0,0|1,0,2]=4 14 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [1,0,0,0,0,0|1,0,1]=3 15 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [1,0,0,0,0,0|0,0,0]=1 16 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [1,0,0,0,0,0|1,0,1]=3 19 B9R1.6 CC(C)N1CCCCC1 CNP0270932.0 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [1,0,0,0,0,0|0,0,2]=3 28 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [1,0,0,0,0,0|1,0,2]=4 30 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [1,0,0,0,0,0|0,0,0]=1 32 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [1,0,0,0,0,0|1,0,2]=4 35 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [1,0,0,0,0,0|0,0,2]=3 42 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,0,0,0,0,0|1,0,2]=4 47 B9R1.8 CC=CC1=NCCCC1 CNP0209420.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,0,0,0|1,0,1]=3 49 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,0,0,0,0,0|2,0,1]=4 53 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [1,0,0,0,0,0|3,0,0]=4 56 B11R1.16 CCCN(C)C1CCCCC1 CNP0578480.0 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,1,0,0,0,0|0,0,0]=1 58 B11R1.16 CNCC(C)C1CCCCC1 CNP0279026.0 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.16 COCC(=O)C1=CCCNC1 CNP0076774.0 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.22 C=C(CO)[C@H]1CC[C@@H](CC1)C CNP0248484.1 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.22 [CH2]OC(=O)C1=CCC(CC1)C CNP0503925.0 [0,1,0,0,0,0|0,0,3]=4 62 B11R1.23 COC(=O)C1=CCCN(C1)C CNP0329745.0 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C CNP0201885.1 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O CNP0041469.1 [0,1,0,0,0,0|1,0,0]=2 65 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,1,0,0,0,0|1,0,1]=3 66 B11R1.23 COC(=O)[C@H]1CCCN(C1)C CNP0201885.2 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.36 CN(C)C(=O)C1CCCCC1 CNP0331998.0 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.878 COC(=O)C1(CCNCC1)N CNP0567140.0 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.878 COC(=O)C1(CCSCC1)N CNP0481809.0 [0,1,0,0,0,0|1,0,0]=2 70 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,0,1,0,0,0|1,0,1]=3 71 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,0,1,0,0,0|2,0,1]=4 72 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,0,1,0,0,0|3,0,0]=4 73 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,0,1,0,0,0|1,0,0]=2 74 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,0,1,0,0,0|3,0,0]=4 75 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,0,1,0,0,0|1,0,0]=2 76 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,0,1,0,0,0|2,0,0]=3 77 B9R0.12 C=CCC(CC)C(=O)CC CNP0001522.0 [0,0,1,0,0,0|1,0,2]=4 78 B9R0.12 CN[C@@H](COC)C(=O)OC CNP0562303.1 [0,0,1,0,0,0|2,0,0]=3 79 B9R0.12 CN[C@H](COC)C(=O)OC CNP0562303.2 [0,0,1,0,0,0|2,0,0]=3 80 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,0,1,0,0,0|1,0,1]=3 81 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,0,1,0,0,0|1,0,2]=4 82 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,0,1,0,0,0|0,0,2]=3 83 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,0,1,0,0,0|0,0,2]=3 84 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,0,1,0,0,0|3,0,0]=4 85 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,0,1,0,0,0|1,0,0]=2 86 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,0,1,0,0,0|2,0,0]=3 87 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,0,1,0,0,0|0,0,0]=1 88 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,0,1,0,0,0|2,0,1]=4 89 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,0,1,0,0,0|1,0,2]=4 90 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,0,1,0,0,0|1,0,1]=3 91 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,0,1,0,0,0|1,0,2]=4 92 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,0,1,0,0,0|2,0,0]=3 93 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,0,1,0,0,0|2,0,1]=4 94 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,0,1,0,0,0|2,0,1]=4 95 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,1,0,0|2,0,0]=3 96 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,0,0,1,0|2,0,1]=4 97 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,0,0,0,1,0|1,0,2]=4 98 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,0,1,0|1,0,2]=4 99 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,0,1,0|0,0,2]=3 100 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,0,1,0|1,0,0]=2 101 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,0,0,0,0,1|2,0,0]=3 102 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,0,0,0,0,1|1,0,0]=2 103 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,0,0,0,0,1|2,0,1]=4 104 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [0,0,0,0,0,1|0,0,3]=4 105 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,0,0,0,0,1|0,0,2]=3 106 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,0,0,0,0,1|2,0,0]=3 107 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,1,0,0,0|1,0,1]=4 108 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,0,1,0,0,0|1,0,0]=3 109 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,0,1,0,0,0|1,0,0]=3 110 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,0,1,0,0,0|0,0,0]=2 111 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,0,1,0,0,0|1,0,0]=3 112 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,0,1,0,0,0|2,0,0]=4 113 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,0,1,0,0,0|2,0,0]=4 114 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,1,0,0,0|1,0,1]=4 115 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,1,0,0,0|1,0,1]=4 116 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,0,1,0,0,0|0,0,2]=4 117 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,1,0,0,0|0,0,2]=4 118 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,1,0,0,0|1,0,0]=3 119 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,1,0,0,0|2,0,0]=4 120 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,1,0,0,0|0,0,0]=2 121 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,1,0,0,0|0,1,0]=3 122 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,1,0,0,0|2,0,0]=4 123 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,1,0,0,0|1,0,0]=3 124 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,1,0,0,0|1,0,0]=3 125 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [1,0,1,0,0,0|0,0,2]=4 126 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,0,1,0,0,0|0,0,2]=4 129 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [1,0,1,0,0,0|0,0,2]=4 130 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,0,1,0,0,0|1,0,1]=4 131 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,0,1,0,0,0|1,0,1]=4 132 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,0,1,0,0,0|0,0,2]=4 133 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [1,0,1,0,0,0|0,0,0]=2 134 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [1,0,1,0,0,0|1,0,0]=3 135 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [1,0,1,0,0,0|2,0,0]=4 136 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [1,0,1,0,0,0|1,0,0]=3 137 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,0,1,0,0,0|1,0,1]=4 138 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [1,0,1,0,0,0|1,0,0]=3 139 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [1,0,1,0,0,0|1,0,0]=3 140 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [1,0,1,0,0,0|2,0,0]=4 141 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [1,0,1,0,0,0|2,0,0]=4 142 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [1,0,1,0,0,0|2,0,0]=4 143 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [1,0,1,0,0,0|2,0,0]=4 144 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [1,0,1,0,0,0|1,0,0]=3 145 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [1,0,1,0,0,0|2,0,0]=4 146 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [1,0,1,0,0,0|2,0,0]=4 147 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [1,0,1,0,0,0|2,0,0]=4 148 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [1,0,1,0,0,0|2,0,0]=4 149 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [1,0,1,0,0,0|2,0,0]=4 150 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [1,0,1,0,0,0|2,0,0]=4 151 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [1,0,1,0,0,0|2,0,0]=4 152 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [1,0,1,0,0,0|0,0,2]=4 153 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [1,0,1,0,0,0|1,0,1]=4 154 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,0,1,0,0,0|1,0,0]=3 155 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.20 CCC(CC)C(=O)OC CNP0406940.0 [1,0,1,0,0,0|0,0,0]=2 157 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [1,0,1,0,0,0|1,0,0]=3 158 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,0,1,0,0,0|1,0,1]=4 159 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,0,1,0,0,0|1,0,0]=3 160 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,1,0,0,0|1,0,1]=4 162 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,0,1,0,0,0|2,0,0]=4 163 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,0,1,0,0,0|2,0,0]=4 164 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,1,0,0,0|1,0,1]=4 165 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,1,0,0,0|1,0,1]=4 166 B8R0.4 CCCCCCCOO CNP0566054.0 [1,0,1,0,0,0|1,0,1]=4 167 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,1,0,0,0|2,0,0]=4 168 B8R0.4 CCCCCCSSC CNP0510251.0 [1,0,1,0,0,0|1,1,0]=4 169 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,0,1,0,0,0|1,0,0]=3 170 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,0,1,0,0,0|0,0,2]=4 171 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,0,1,0,0,0|2,0,0]=4 172 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,0,1,0,0,0|0,0,2]=4 173 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,0,1,0,0,0|0,0,2]=4 174 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,1,0,0,0|0,0,2]=4 175 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,0,1,0,0,0|0,0,2]=4 176 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,1,0,0,0|0,0,2]=4 177 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,0,1,0,0,0|0,0,2]=4 178 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,0,1,0,0,0|1,0,1]=4 179 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,0,1,0,0,0|0,0,2]=4 180 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,0,1,0,0,0|0,0,0]=2 181 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,0,1,0,0,0|1,0,0]=3 182 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,0,1,0,0,0|1,0,0]=3 183 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,0,1,0,0,0|0,0,0]=2 184 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,0,1,0,0,0|1,0,1]=4 185 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,0,1,0,0,0|1,0,1]=4 186 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,0,1,0,0,0|0,0,2]=4 187 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,0,1,0,0,0|1,0,1]=4 188 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,0,1,0,0,0|0,0,2]=4 189 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,0,1,0,0,0|1,0,0]=3 190 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,0,1,0,0,0|1,0,1]=4 191 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,0,1,0,0,0|1,0,0]=3 192 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,0,1,0,0,0|1,0,0]=3 193 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,0,1,0,0,0|1,0,0]=3 194 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,0,1,0,0,0|2,0,0]=4 195 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,0,1,0,0,0|2,0,0]=4 196 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,0,1,0,0,0|1,0,0]=3 197 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,0,1,0,0,0|1,0,0]=3 198 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,0,1,0,0,0|1,0,1]=4 199 B8R1.2 CCC1CCCCC1 CNP0300322.0 [2,0,0,0,0,0|0,0,1]=3 200 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [2,0,0,0,0,0|1,0,1]=4 201 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 CNC1CCCCC1 CNP0474937.0 [2,0,0,0,0,0|1,0,0]=3 203 B8R1.2 COC1=CCCCC1 CNP0354574.0 [2,0,0,0,0,0|0,0,2]=4 204 B8R1.2 NCC1CCCCC1 CNP0581484.0 [2,0,0,0,0,0|1,0,1]=4 205 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [2,0,0,0,0,0|0,0,2]=4 206 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [2,0,0,0,0,0|0,0,2]=4 207 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [2,0,0,0,0,0|0,0,0]=2 208 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [2,0,0,0,0,0|2,0,0]=4 211 B8R1.2 OCC1CCCCN1 CNP0335046.0 [2,0,0,0,0,0|1,0,1]=4 212 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [2,0,0,0,0,0|1,0,1]=4 213 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [2,0,0,0,0,0|1,0,1]=4 214 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [2,0,0,0,0,0|1,0,1]=4 215 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [2,0,0,0,0,0|1,0,1]=4 216 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [2,0,0,0,0,0|1,0,1]=4 217 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,1,1,0,0,0|1,0,0]=3 218 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,1,1,0,0,0|1,0,0]=3 219 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,1,1,0,0,0|2,0,0]=4 220 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,1,1,0,0,0|1,0,0]=3 221 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,1,1,0,0,0|1,0,0]=3 222 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,1,1,0,0,0|2,0,0]=4 223 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,1,1,0,0,0|1,0,0]=3 224 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,1,1,0,0,0|0,0,0]=2 225 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,1,1,0,0,0|1,0,0]=3 226 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,1,1,0,0,0|1,0,0]=3 227 B10R0.85 CN[C@@H](CCSC)C(=O)OC CNP0087048.1 [0,1,1,0,0,0|1,0,0]=3 228 B10R0.54 COC(=O)[C@H](CC(=O)C)OC CNP0311272.1 [0,1,1,0,0,0|1,0,1]=4 229 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,1,0,0,0|0,0,2]=4 230 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,1,0,0,0|2,0,0]=4 231 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,1,0,0,0|0,0,2]=4 232 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,1,0,0,0|1,0,0]=3 233 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,1,0,0,0|0,0,0]=2 234 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,1,0,0,0|2,0,0]=4 235 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,1,0,0,0|1,0,0]=3 236 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,1,1,0,0,0|0,0,1]=3 237 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [0,1,1,0,0,0|1,0,1]=4 238 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [0,1,1,0,0,0|0,0,2]=4 239 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,1,1,0,0,0|0,0,1]=3 240 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,1,1,0,0,0|1,0,1]=4 241 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,1,1,0,0,0|0,0,0]=2 242 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,1,1,0,0,0|1,0,1]=4 243 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,1,1,0,0,0|1,0,1]=4 244 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,1,1,0,0,0|0,0,1]=3 245 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,1,1,0,0,0|0,0,1]=3 246 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,1,1,0,0,0|0,0,1]=3 247 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,1,1,0,0,0|0,0,1]=3 248 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,1,1,0,0,0|1,0,0]=3 249 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,1,1,0,0,0|0,0,0]=2 250 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,1,1,0,0,0|1,0,0]=3 251 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,1,1,0,0,0|0,1,0]=3 252 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,1,1,0,0,0|1,0,1]=4 253 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,1,1,0,0,0|1,0,0]=3 254 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,1,1,0,0,0|2,0,0]=4 255 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,1,1,0,0,0|2,0,0]=4 256 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,1,1,0,0,0|1,0,1]=4 257 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [1,1,0,0,0,0|1,0,1]=4 258 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.13 C=C1CCC(CC1)C(=C)C CNP0372229.0 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [1,1,0,0,0,0|1,0,1]=4 262 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [1,1,0,0,0,0|1,0,1]=4 264 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [1,1,0,0,0,0|0,0,2]=4 265 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [1,1,0,0,0,0|1,0,1]=4 266 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [1,1,0,0,0,0|0,0,2]=4 267 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [1,1,0,0,0,0|0,0,2]=4 268 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [1,1,0,0,0,0|0,0,2]=4 269 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [1,1,0,0,0,0|1,0,1]=4 272 B10R1.13 CN1CCN(CC1)C(=O)O CNP0510233.0 [1,1,0,0,0,0|2,0,0]=4 273 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [1,1,0,0,0,0|0,0,2]=4 274 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [1,1,0,0,0,0|0,0,0]=2 275 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [1,1,0,0,0,0|0,0,0]=2 279 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [1,1,0,0,0,0|1,0,0]=3 280 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.28 O=P(O)(O)[C@@H]1CCCCN1 CNP0454666.1 [1,1,0,0,0,0|2,0,0]=4 282 B10R1.28 O=P(O)(O)[C@H]1CCCCN1 CNP0454666.2 [1,1,0,0,0,0|2,0,0]=4 283 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [1,1,0,0,0,0|1,0,0]=3 285 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [1,1,0,0,0,0|1,0,1]=4 288 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [1,1,0,0,0,0|1,0,1]=4 289 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [1,1,0,0,0,0|1,0,0]=3 292 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [1,1,0,0,0,0|1,0,0]=3 303 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [1,1,0,0,0,0|1,0,0]=3 306 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [1,1,0,0,0,0|2,0,0]=4 307 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [1,1,0,0,0,0|2,0,0]=4 311 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [1,1,0,0,0,0|2,0,0]=4 314 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [1,1,0,0,0,0|0,0,1]=3 315 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [1,1,0,0,0,0|1,0,1]=4 316 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.363 NC1(CCSCC1)C(=O)O CNP0563448.0 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [1,1,0,0,0,0|1,0,1]=4 324 B10R1.1 CON=C1CCC(CC1)C CNP0492431.0 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.4 C/C=C/[C@@H]1OCCC[C@H]1O CNP0426580.1 [1,1,0,0,0,0|2,0,0]=4 326 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.4 COCC1CCCC[C@@H]1N CNP0344437.1 [1,1,0,0,0,0|0,0,1]=3 328 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [1,1,0,0,0,0|2,0,0]=4 333 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,1,0,0,0,0|1,0,1]=4 334 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,0,1,0|1,0,0]=3 335 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,0,1,0|1,0,0]=3 336 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,0,1,0|1,0,1]=4 337 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,0,1,0|1,0,1]=4 338 B10R1.14 COC(=O)[C@@H]1CS[S@@+](C1)[O-] CNP0482624.1 [0,1,0,0,1,0|2,0,0]=4 339 B10R1.14 COC(=O)[C@@H]1CS[S@@H+](C1)[O-] CNP0496688.1 [0,1,0,0,1,0|2,0,0]=4 340 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,0,1,0|1,0,1]=4 341 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,0,1,0|1,0,1]=4 342 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,0,1,0|1,0,0]=3 343 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [0,1,0,0,1,0|1,0,0]=3 344 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,0,1,0|0,0,0]=2 345 B10R1.411 COC(=O)[C@@]1(CCSC1)N CNP0515749.2 [0,1,0,0,1,0|1,0,0]=3 346 B10R1.411 COC(=O)[C@]1(CCSC1)N CNP0515749.1 [0,1,0,0,1,0|1,0,0]=3 347 B12R1.32 CCCC(=O)C[C@H]1CCCCN1 CNP0276525.1 [0,1,0,0,0,1|2,0,0]=4 348 B12R1.32 CCCC(=O)OC1CCCCC1 CNP0321594.0 [0,1,0,0,0,1|1,0,0]=3 349 B12R1.32 CCOC(=O)CC1CCCCC1 CNP0076528.0 [0,1,0,0,0,1|0,0,0]=2 350 B12R1.32 CCOC(=O)CN1CCNCC1 CNP0516329.0 [0,1,0,0,0,1|2,0,0]=4 351 B12R1.43 C=C(C)C(=O)OC1CCCCC1 CNP0086107.0 [0,1,0,0,0,1|1,0,0]=3 352 B12R1.371 CCC(=O)C[C@H]1CCCCN1C CNP0321034.1 [0,1,0,0,0,1|2,0,0]=4 353 B12R1.1564 CCSC(=O)N1CCCCCC1 CNP0035361.0 [0,1,0,0,0,1|1,1,0]=4 354 B12R1.475 CO[Si](C)(OC)C1CCCCC1 CNP0086224.0 [0,2,0,0,0,0|0,1,1]=4 355 B12R1.478 CC=C(C(=O)O)C1CCCCC1 CNP0540343.0 [0,2,0,0,0,0|1,0,0]=3 356 B12R1.17 CCOC(=O)[C@@H]1CCCN(C1)C CNP0189022.1 [0,2,0,0,0,0|1,0,0]=3 357 B12R1.17 CCOC(=O)[C@H]1CCCN(C1)C CNP0189022.2 [0,2,0,0,0,0|1,0,0]=3 358 B12R1.367 COC(=O)C1=C[C@H]([C@@H](CC1)O)O CNP0531853.1 [0,2,0,0,0,0|0,0,2]=4 359 B12R1.367 COC(=O)C1CCC(=C(C1)C)C CNP0076631.0 [0,2,0,0,0,0|0,0,2]=4 360 B12R1.367 COC(=O)[C@@H]1CC[C@@H]([C@@H](C1)O)O CNP0274343.2 [0,2,0,0,0,0|0,0,0]=2 361 B12R1.367 COC(=O)[C@@H]1CC[C@@H]([C@H](C1)O)O CNP0274343.1 [0,2,0,0,0,0|0,0,0]=2 362 B12R1.3435 COC(=O)C1(CCC(=O)CC1)O CNP0299421.0 [0,2,0,0,0,0|0,0,1]=3 363 B12R1.3435 COC(=O)C1(CCC(CC1)C)N CNP0482598.0 [0,2,0,0,0,0|0,0,0]=2 364 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,0,1,1,0,0|0,0,2]=4 365 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,1,1,0,0|0,0,0]=2 366 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,0,1,1,0,0|2,0,0]=4 367 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,0,1,1,0,0|0,0,0]=2 368 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,0,1,1,0,0|2,0,0]=4 369 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,0,1,1,0,0|2,0,0]=4 370 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,0,1,1,0,0|2,0,0]=4 371 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,0,1,1,0,0|1,0,0]=3 372 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,1,1,0,0|1,0,0]=3 373 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,1,1,0,0|2,0,0]=4 374 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [1,0,0,1,0,0|1,0,1]=4 375 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [1,0,0,1,0,0|0,0,2]=4 376 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [1,0,0,1,0,0|2,0,0]=4 377 B10R2.351 CC(=C1C2C1CCC2)C CNP0609783.0 [1,0,0,1,0,0|1,0,1]=4 378 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [1,0,0,1,0,0|1,0,0]=3 379 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [1,0,0,1,0,0|1,0,0]=3 380 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [1,0,0,1,0,0|1,0,0]=3 381 B10R2.7 C1CC[C@@H]2CNC[C@H]2C1 CNP0486232.1 [1,0,0,1,0,0|1,0,1]=4 382 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [1,0,0,1,0,0|1,0,1]=4 383 B10R2.7 C1CC[C@H]2CNC[C@@H]2C1 CNP0486232.3 [1,0,0,1,0,0|1,0,1]=4 384 B10R2.7 C1CC[C@H]2CNC[C@H]2C1 CNP0486232.2 [1,0,0,1,0,0|1,0,1]=4 385 B10R2.409 C1CC2CCC1CNC2 CNP0190314.0 [1,0,0,1,0,0|1,0,1]=4 386 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,0,0,1,1,0|2,0,0]=4 387 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,1,1,0|2,0,0]=4 388 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,1,0,1|1,0,1]=4 389 B12R2.24 O=C1CCC2CCCC[C@@H]2O1 CNP0244176.1 [0,0,0,1,0,1|1,0,0]=3 390 B12R2.24 O=C1CCN2CCCC[C@@H]2C1 CNP0465968.2 [0,0,0,1,0,1|2,0,0]=4 391 B12R2.24 O=C1CCN2CCCC[C@H]2C1 CNP0465968.1 [0,0,0,1,0,1|2,0,0]=4 392 B12R2.24 O=C1CC[C@@H]2CCCC[C@@H]2O1 CNP0244176.3 [0,0,0,1,0,1|1,0,0]=3 393 B12R2.24 O=C1CC[C@H]2CCCC[C@@H]2O1 CNP0244176.2 [0,0,0,1,0,1|1,0,0]=3 394 B12R2.2799 C=C1C(=O)OC12CCCCC2 CNP0507820.0 [0,0,0,1,0,1|1,0,1]=4 395 B12R2.2918 O=C1CCC2(C1)CCCCC2 CNP0541943.0 [0,0,0,1,0,1|1,0,0]=3 396 B12R2.1 O/N=C/1\CC[C@@H]2[C@@H]1CCCC2 CNP0118560.1 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,0,1,0|1,0,1]=4 398 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,0,1,0|1,0,0]=3 399 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,0,1,0|2,0,0]=4 400 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,0,1,0|1,0,1]=4 401 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,0,1,0|0,0,2]=4 402 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,0,1,0|2,0,0]=4 403 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,0,1,0|2,0,0]=4 404 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,0,1,0|1,0,1]=4 405 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,0,1,0|0,0,0]=2 406 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,0,1,0|1,0,0]=3 407 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,0,1,0|2,0,0]=4 408 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [1,0,0,0,1,0|2,0,0]=4 409 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,0,1,0|0,0,2]=4 410 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,0,1,0|1,0,1]=4 411 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,0,1,0|1,0,0]=3 412 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,0,1,0|1,0,0]=3 413 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,0,1,0|2,0,0]=4 414 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,0,1,0|2,0,0]=4 415 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,0,1,0|1,0,0]=3 416 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,0,1,0|1,0,0]=3 417 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,0,1,0|1,0,0]=3 418 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,0,1,0|2,0,0]=4 419 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,0,1,0|2,0,0]=4 420 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,0,1,0|1,0,1]=4 421 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,0,1,0|1,0,1]=4 422 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,0,1,0|1,0,1]=4 423 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,0,0,1|0,0,0]=2 424 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [1,0,0,0,0,1|0,0,0]=2 425 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [1,0,0,0,0,1|0,0,0]=2