0 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,0,0,0,0,0|1,0,3]=4 1 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,0,0,0|1,0,3]=4 2 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,0,0,0|1,0,2]=3 3 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,0,0,0,0,0|1,0,3]=4 4 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,0,0,0|1,0,3]=4 5 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,0,0,0,0|2,0,2]=4 6 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,0|1,0,1]=2 7 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,0|1,0,3]=4 11 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,0,0,0|1,0,1]=2 12 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,0,0,0|1,0,3]=4 13 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,0,0,0|1,0,3]=4 16 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,0,0,0,0,0|1,0,3]=4 19 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,0,0,0,0,0|1,0,3]=4 20 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,0,0,0,0,0|1,0,3]=4 23 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,0,0,0,0,0|2,0,2]=4 25 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,0,0,0|1,0,3]=4 29 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,0,0,0|0,0,2]=2 30 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,0,0,0|1,0,2]=3 31 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,0,0,0|1,0,2]=3 32 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,0,0,0|2,0,1]=3 33 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,0,0|0,0,0]=0 34 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,0,0,0,0,0|1,0,2]=3 36 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,0,0,0,0|1,0,2]=3 37 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,0,0,0|0,0,2]=2 39 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,0,0,0|1,0,1]=2 40 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,0,0,0|0,0,2]=2 42 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,0,0,0|1,0,1]=2 43 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,0,0,0|1,0,1]=2 44 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,0,0,0|1,0,2]=3 45 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,0,0,0|2,0,1]=3 46 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,0,0|2,0,1]=3 47 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,0,0,0,0|0,0,4]=4 48 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,0,0,0,0|1,0,3]=4 49 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,0,0,0,0|1,0,3]=4 50 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,0,0,0,0,0|1,0,3]=4 51 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,0,0|0,0,2]=2 52 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,0,0,0|1,0,1]=2 53 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,0,0,0|1,0,2]=3 54 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,0,0,0|0,0,4]=4 55 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,0,0,0|0,0,4]=4 56 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,0,0,0|0,0,2]=2 57 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,0,0,0|0,0,2]=2 58 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,0,0,0,0|2,1,1]=4 59 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,0,0,0,0,0|0,1,3]=4 60 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [0,0,0,0,0,0|1,1,2]=4 61 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [1,0,0,0,0,0|0,0,3]=4 63 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [1,0,0,0,0,0|1,0,2]=4 64 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [1,0,0,0,0,0|0,1,2]=4 65 B6R1.1 C1=CCC=CC1 CNP0508932.0 [1,0,0,0,0,0|0,0,3]=4 66 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,0,0,0|0,0,1]=2 67 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,0,0,0|0,0,1]=2 68 B6R1.1 C1=CCN=CC1 CNP0062927.0 [1,0,0,0,0,0|1,0,2]=4 69 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,0,0,0|1,0,1]=3 70 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,0,0,0|1,0,1]=3 73 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [1,0,0,0,0,0|2,0,1]=4 74 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,0,0,0|1,0,0]=2 75 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,0,0,0|1,0,0]=2 77 B6R1.1 C1=CP=PP=C1 CNP0580759.0 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.1 C1=CSSC=C1 CNP0509445.0 [1,0,0,0,0,0|2,0,1]=4 79 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,0,0,0|1,0,1]=3 81 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,0,0,0|0,0,3]=4 82 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,0,0,0|1,0,2]=4 83 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,0,0,0|1,0,2]=4 84 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,0,0,0|2,0,1]=4 85 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.1 C1CSSSC1 CNP0124260.0 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,0,0,0|0,0,1]=2 88 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [1,0,0,0,0,0|0,0,3]=4 89 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,0,0,0|1,0,1]=3 90 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,0,0,0|1,0,1]=3 91 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,0,0,0|1,0,1]=3 93 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,0,0,0|0,0,2]=3 94 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,0,0,0|1,0,2]=4 95 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,1,0,0,0,0|0,0,3]=4 96 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,1,0,0,0,0|1,0,2]=4 97 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,0,0,0|0,0,1]=2 98 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,1,0,0,0,0|1,0,2]=4 99 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,0,0,0|0,0,1]=2 100 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,0,0,0|0,0,3]=4 101 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,0,0,0|0,0,3]=4 102 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,0,0,0|1,0,2]=4 103 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,1,0,0,0,0|0,0,3]=4 104 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,0,0,0|1,0,2]=4 106 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,0,0,0|0,0,2]=3 107 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,0,0,0|0,0,2]=3 108 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,0,0,0|0,0,2]=3 109 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,0,0,0|0,0,3]=4 110 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,1,0,0,0,0|0,0,3]=4 111 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,0,0,0|0,0,2]=3 112 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,0,0,0|1,0,2]=4 113 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,0,0,0|0,0,2]=3 114 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,0,0,0|1,0,1]=3 115 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,1,0,0,0,0|0,0,3]=4 118 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,0,0,0|0,0,1]=2 119 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,0,0,0|1,0,0]=2 122 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,0,0,0|0,0,3]=4 123 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,0,0,0|1,0,2]=4 124 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,0,0,0|1,0,2]=4 125 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,0,0,0|1,0,2]=4 126 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,0,0,0|0,0,0]=1 127 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,0,0,0|1,0,0]=2 128 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,0,0,0|0,0,2]=3 132 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,0,0,0|1,0,1]=3 133 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,0,0,0|0,0,2]=3 136 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,0,0,0|0,0,0]=1 137 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,0,0,0|1,0,1]=3 138 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,0,0,0|0,0,2]=3 140 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,0,0,0|1,0,1]=3 141 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,0,0,0|1,0,0]=2 142 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,0,0,0|0,0,2]=3 143 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,0,0,0|0,0,0]=1 146 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,0,0,0|1,0,0]=2 147 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,1,0,0,0,0|2,0,1]=4 148 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,1,0,0,0,0|2,0,1]=4 149 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,0,0,0|2,0,0]=3 152 B8R1.4 OC1=NC(=NCC1)O CNP0488616.0 [0,1,0,0,0,0|2,0,1]=4 153 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,0,0,0|0,0,2]=3 155 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,0,0,0|1,0,1]=3 156 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,0,0,0|0,0,2]=3 157 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,0,0,0|1,0,1]=3 159 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,1,0,0,0,0|0,0,3]=4 160 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,0,0,0|0,0,2]=3 161 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,1,0,0,0,0|1,0,2]=4 163 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,1,0,0,0,0|1,0,2]=4 164 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,0,0,0|0,0,0]=1 165 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,0,0,0|0,0,1]=2 166 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,0,0,0|0,0,2]=3 167 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,1,0,0,0,0|1,0,2]=4 168 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,0,0,0|0,0,2]=3 171 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,0,0,0|0,0,2]=3 172 B8R1.72 O=S1(=O)CCCSC1 CNP0151119.0 [0,1,0,0,0,0|2,0,1]=4 173 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [0,0,1,0,0,0|2,0,1]=4 174 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,1,0,0,0|1,0,2]=4 176 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,1,0,0,0|0,0,0]=1 177 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,1,0,0,0|1,0,0]=2 178 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|2,0,1]=4 179 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,1,0,0,0|0,0,2]=3 180 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,1,0,0,0|0,0,2]=3 181 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,1,0,0,0|3,0,0]=4 182 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|1,0,1]=3 184 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|0,0,0]=1 185 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,1,0,0,0|1,0,0]=2 186 B6R0.1 CC=CS(=S)OC CNP0560483.0 [0,0,1,0,0,0|2,1,0]=4 187 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,1,0,0,0|1,0,1]=3 188 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,1,0,0,0|2,0,1]=4 190 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,1,0,0,0|3,0,0]=4 191 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,1,0,0,0|1,0,1]=3 192 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,1,0,0,0|1,0,0]=2 193 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,1,0,0,0|0,0,2]=3 194 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,1,0,0,0|1,0,1]=3 195 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,1,0,0,0|1,0,1]=3 196 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,1,0,0,0|1,0,1]=3 197 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,1,0,0,0|1,0,1]=3 199 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,1,0,0,0|2,0,1]=4 200 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,1,0,0,0|2,0,0]=3 201 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,1,0,0,0|1,0,1]=3 202 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,1,0,0,0|2,0,1]=4 203 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,1,0,0,0|1,0,1]=3 205 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,1,0,0,0|2,0,1]=4 206 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,1,0,0,0|2,0,0]=3 207 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,1,0,0,0|2,0,0]=3 208 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,0,1,0,0,0|3,0,0]=4 209 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,1,0,0,0|2,0,1]=4 210 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,1,0,0,0|2,0,1]=4 211 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,1,0,0,0|2,0,1]=4 212 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,0,1,0,0,0|2,0,1]=4 214 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,0,1,0,0,0|1,0,2]=4 215 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,0,1,0,0,0|0,0,2]=3 216 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,0,1,0,0,0|1,0,1]=3 217 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,0,1,0,0,0|1,0,1]=3 218 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,0,1,0,0,0|1,0,2]=4 219 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,0,1,0,0,0|1,0,2]=4 220 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,0,1,0,0,0|1,0,2]=4 223 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,0,1,0,0,0|2,0,1]=4 225 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,0,1,0,0,0|2,0,1]=4 226 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,0,1,0,0,0|2,0,1]=4 229 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,1,0,0,0|1,0,1]=3 230 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,1,0,0,0|1,0,2]=4 231 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,1,0,0,0|0,0,0]=1 232 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,1,0,0,0|1,0,0]=2 233 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,1,0,0,0|0,0,2]=3 234 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,0,1,0,0,0|0,0,2]=3 235 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,0,1,0,0,0|1,0,1]=3 236 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,0,1,0,0,0|1,0,1]=3 237 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,0,1,0,0,0|1,0,1]=3 238 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,0,1,0,0,0|1,0,1]=3 239 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,0,1,0,0,0|1,0,1]=3 240 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,0,1,0,0,0|1,0,1]=3 241 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,0,1,0,0,0|2,0,1]=4 242 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,0,1,0,0,0|2,0,1]=4 243 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,0,1,0,0,0|2,0,1]=4 245 B6R0.4 COCC=C(C)C CNP0493784.0 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,1,0,0,0|2,0,0]=3 248 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,0,1,0,0,0|1,0,2]=4 249 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,0,1,0,0,0|2,0,1]=4 250 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,0,1,0,0,0|2,0,1]=4 251 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,0,1,0,0,0|2,0,1]=4 252 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,0,1,0,0,0|2,0,1]=4 253 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [0,0,1,0,0,0|2,0,1]=4 254 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [0,0,1,0,0,0|2,0,1]=4 255 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [0,0,1,0,0,0|2,0,1]=4 256 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,0,1,0,0,0|2,0,0]=3 257 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,0,1,0,0,0|2,0,0]=3 258 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,0,1,0,0,0|2,0,0]=3 259 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,0,1,0,0,0|2,0,0]=3 260 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,0,1,0,0,0|2,0,0]=3 261 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,0,1,0,0,0|2,0,1]=4 263 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,0,1,0,0,0|3,0,0]=4 264 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|1,0,2]=4 265 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,1,0,0,0|1,0,0]=2 266 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|1,0,1]=3 267 B6R0.6 C=CCCCC#N CNP0287374.0 [0,0,1,0,0,0|1,0,1]=3 268 B6R0.6 C=CCCCC=C CNP0115869.0 [0,0,1,0,0,0|1,0,0]=2 269 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,1,0,0,0|1,0,1]=3 270 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,1,0,0,0|0,0,2]=3 271 B6R0.6 C=CCCN=C=S CNP0107519.0 [0,0,1,0,0,0|1,1,1]=4 272 B6R0.6 C=CCCSC#N CNP0532187.0 [0,0,1,0,0,0|2,0,1]=4 273 B6R0.6 C=CCNCC=C CNP0443858.0 [0,0,1,0,0,0|2,0,0]=3 274 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,1,0,0,0|1,0,2]=4 275 B6R0.6 C=CCSCC=C CNP0303954.0 [0,0,1,0,0,0|2,0,0]=3 276 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,1,0,0,0|2,0,1]=4 277 B6R0.6 C=COCCCC CNP0077236.0 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|0,0,2]=3 279 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|1,0,1]=3 280 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|2,0,1]=4 281 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,1,0,0,0|0,0,2]=3 282 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,1,0,0,0|1,0,1]=3 283 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,1,0,0,0|2,0,1]=4 284 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|2,0,1]=4 285 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,1,0,0,0|2,0,0]=3 286 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|0,0,2]=3 288 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,1,0,0,0|0,0,2]=3 289 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,1,0,0,0|1,0,1]=3 290 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,1,0,0,0|2,0,1]=4 291 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|0,0,0]=1 292 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,1,0,0,0|0,0,2]=3 293 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,1,0,0,0|1,0,1]=3 294 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,1,0,0,0|0,0,2]=3 295 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,1,0,0,0|1,0,2]=4 296 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,1,0,0,0|0,0,2]=3 297 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,1,0,0,0|1,0,1]=3 298 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,1,0,0,0|1,0,1]=3 299 B6R0.6 CCCCON=O CNP0003508.0 [0,0,1,0,0,0|2,0,1]=4 300 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,1,0,0,0|1,0,1]=3 301 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,1,0,0,0|1,0,1]=3 302 B6R0.6 O=CCCCC=O CNP0204417.0 [0,0,1,0,0,0|1,0,0]=2 303 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,1,0,0|1,0,2]=4 304 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,1,0,0|1,0,1]=3 305 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,0,1,0|2,0,1]=4 306 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,0,1,0|1,0,0]=2 307 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,0,1,0|1,0,1]=3 308 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,0,1,0|2,0,1]=4 309 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,0,1,0|2,0,1]=4 310 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,0,1,0|2,0,1]=4 311 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,0,1,0|1,0,0]=2 312 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,0,1,0|2,0,0]=3 313 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,0,1,0|2,0,0]=3 314 B6R1.2 CC1=CCSS1 CNP0166363.0 [0,0,0,0,1,0|3,0,0]=4 315 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,0,1,0|2,0,1]=4 316 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,0,1,0|2,0,1]=4 317 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,0,1,0|2,0,0]=3 318 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,0,1,0|2,0,1]=4 319 B6R1.2 CC1=CSSC1 CNP0310441.0 [0,0,0,0,1,0|3,0,0]=4 320 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,0,1,0|3,0,0]=4 321 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,0,1,0|3,0,0]=4 322 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,0,1,0|3,0,0]=4 323 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,0,1,0|2,0,1]=4 324 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,0,1,0|1,0,2]=4 325 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,0,1,0|2,0,1]=4 326 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,0,1,0|2,0,1]=4 327 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,0,1,0|2,0,1]=4 328 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,0,1,0|2,0,1]=4 329 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,0,1,0|2,0,0]=3 330 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,0,1,0|3,0,0]=4 331 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,0,1,0|3,0,0]=4 332 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,0,1,0|2,0,1]=4 333 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,1,0|0,0,0]=1 334 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,1,0|1,0,0]=2 335 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,0,1,0|2,0,0]=3 336 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,0,1,0|2,0,0]=3 337 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,0,1,0|2,0,0]=3 338 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,1,0|1,0,1]=3 339 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,0,1,0|0,0,1]=2 340 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,0,1,0|1,0,0]=2 341 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,0,1,0|1,0,0]=2 342 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,0,1,0|1,0,0]=2 343 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,0,1,0|2,0,0]=3 344 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,0,1,0|1,0,1]=3 345 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,0,1,0|2,0,0]=3 346 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,0,1,0|1,0,1]=3 347 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,0,1,0|2,0,0]=3 348 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,0,1,0|2,0,0]=3 349 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,0,1,0|2,0,1]=4 350 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,0,1,0|1,0,2]=4 351 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,0,1,0|1,0,1]=3 352 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,0,1,0|2,0,1]=4 353 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,0,1,0|0,0,3]=4 354 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,0,1,0|2,1,0]=4 355 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,0,1,0|2,1,0]=4 356 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,0,1,0|2,1,0]=4 357 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,0,1,0|1,1,1]=4 358 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,0,1,0|1,1,1]=4 359 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,0,1,0|2,1,0]=4 360 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,0,1,0|0,1,2]=4 361 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,0,1,0|1,1,1]=4 362 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,0,1,0|1,0,1]=3 363 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,0,0,1|1,0,2]=4 364 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,0,0,1|1,0,2]=4 365 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,0,0,0,1|0,0,3]=4 366 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,0,0,1|0,0,0]=1 367 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,0,0,1|0,0,2]=3 368 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,0,0,1|0,0,2]=3 369 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,0,0,1|0,0,2]=3 370 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,0,0,1|1,0,1]=3 371 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,0,0,1|0,0,3]=4 372 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,1,0,0,0|2,0,0]=4 373 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,0]=3 374 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|1,0,0]=3 375 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,1,0,0,0|2,0,0]=4 376 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,1,0,0,0|0,0,1]=3 377 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,1]=4 378 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|0,0,2]=4 379 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,0,1,0,0,0|1,0,1]=4 380 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|1,0,1]=4 381 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|1,0,1]=4 382 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|2,0,0]=4 383 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,1,0,0,0|2,0,0]=4 384 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,1,0,0,0|2,0,0]=4 385 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,1,0,0,0|2,0,0]=4 386 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,1,0,0,0|1,0,1]=4 388 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,1,0,0,0|2,0,0]=4 389 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,1,0,0,0|1,1,0]=4 390 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|0,0,0]=2 391 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,0,1,0,0,0|1,0,0]=3 392 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,0,1,0,0,0|1,0,0]=3 393 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|1,0,0]=3 394 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,1,0,0,0|1,0,0]=3 395 B5R0.1 CC=CC(=S)N CNP0219494.0 [1,0,1,0,0,0|1,1,0]=4 396 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|1,0,1]=4 397 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,0,2]=4 398 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|1,0,0]=3 399 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,0,1]=3 400 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,1,0,0,0|0,0,1]=3 401 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,1,0,0,0|1,0,0]=3 402 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,1,0,0,0|1,0,0]=3 403 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,1,0,0,0|1,0,0]=3 404 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,1,0,0,0|1,0,0]=3 405 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,1,0,0,0|1,0,0]=3 406 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,1,0,0,0|2,0,0]=4 407 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,1,0,0,0|2,0,0]=4 408 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,1,0,0,0|1,0,0]=3 409 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,1,0,0,0|1,0,0]=3 410 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,1,0,0,0|2,0,0]=4 411 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,1,0,0,0|2,0,0]=4 412 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,1,0,0,0|2,0,0]=4 413 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,1,0,0,0|1,0,1]=4 414 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,1,0,0,0|2,0,0]=4 415 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,1,0,0,0|1,0,1]=4 416 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,1,0,0,0|2,0,0]=4 417 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,1,0,0,0|2,0,0]=4 418 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,1,0,0,0|2,0,0]=4 419 B5R0.1 NC(=O)C=CI CNP0204270.0 [1,0,1,0,0,0|2,0,0]=4 420 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,1,0,0,0|2,0,0]=4 421 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|2,0,0]=4 422 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|2,0,0]=4 423 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|2,0,0]=4 424 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,1,0,0,0|2,0,0]=4 425 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,1,0,0,0|2,0,0]=4 426 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,1,0,0,0|0,0,2]=4 427 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,2]=4 428 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|0,0,1]=3 429 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 430 B5R0.2 C=CCCC#N CNP0248596.0 [1,0,1,0,0,0|1,0,1]=4 431 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,1,0,0,0|0,0,1]=3 432 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,1,0,0,0|0,0,0]=2 433 B5R0.2 C=CCCCC CNP0264947.0 [1,0,1,0,0,0|0,0,1]=3 434 B5R0.2 C=CCCCO CNP0003396.0 [1,0,1,0,0,0|0,0,1]=3 435 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|1,0,1]=4 436 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|1,0,0]=3 437 B5R0.2 C=CCSCC CNP0261096.0 [1,0,1,0,0,0|1,0,1]=4 438 B5R0.2 C=CSSCC CNP0003136.0 [1,0,1,0,0,0|2,0,0]=4 439 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,1,0,0,0|1,0,1]=4 440 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|1,0,1]=4 441 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|0,0,1]=3 442 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 443 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|0,0,1]=3 444 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|1,0,1]=4 445 B5R0.2 CC=CSSC CNP0214071.0 [1,0,1,0,0,0|2,0,0]=4 446 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,1,0,0,0|1,0,1]=4 447 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,0]=2 448 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|0,0,2]=4 449 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|1,0,0]=3 450 B5R0.2 CCC=CSO CNP0458289.0 [1,0,1,0,0,0|1,0,1]=4 451 B5R0.2 CCC=NNC CNP0543863.0 [1,0,1,0,0,0|2,0,0]=4 452 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,1]=3 453 B5R0.2 CCCC=NO CNP0071145.0 [1,0,1,0,0,0|1,0,1]=4 454 B5R0.2 CCCCC=O CNP0361186.0 [1,0,1,0,0,0|0,0,1]=3 455 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,1,0,0,0|1,0,1]=4 456 B5R0.2 CCCOC=O CNP0326097.0 [1,0,1,0,0,0|1,0,0]=3 457 B5R0.2 COC=COC CNP0416791.0 [1,0,1,0,0,0|2,0,0]=4 458 B5R0.2 CSC=CSC CNP0075985.0 [1,0,1,0,0,0|2,0,0]=4 459 B5R0.2 CSCCC=O CNP0136743.0 [1,0,1,0,0,0|1,0,1]=4 460 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,1,0,0,0|1,0,1]=4 461 B5R0.2 NCCCC=O CNP0359033.0 [1,0,1,0,0,0|1,0,0]=3 462 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|1,0,0]=3 463 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,1,0,0,0|1,0,0]=3 464 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|2,0,0]=4 465 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,1]=4 466 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|0,0,0]=2 467 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|1,0,0]=3 468 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,1,0,0,0|0,0,2]=4 469 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,1,0,0,0|0,0,2]=4 470 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|1,0,0]=3 471 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|2,0,0]=4 472 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|2,0,0]=4 473 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,1,0,0,0|1,0,0]=3 474 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,1,0,0,0|0,0,1]=3 475 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,1,0,0,0|1,0,1]=4 476 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,1,0,0,0|2,0,0]=4 477 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,1,0,0,0|1,0,0]=3 478 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,1,0,0,0|1,0,0]=3 479 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,1,0,0,0|2,0,0]=4 480 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,1,0,0,0|2,0,0]=4 481 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,1,0,0,0|2,0,0]=4 482 B7R0.2 C=CC(=O)NC(C)C CNP0414888.0 [0,1,1,0,0,0|1,0,0]=3 483 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,1,0,0,0|1,0,1]=4 484 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [0,1,1,0,0,0|1,0,1]=4 485 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,1,0,0,0|1,0,0]=3 486 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,1,0,0,0|2,0,0]=4 487 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,1,0,0,0|0,0,0]=2 488 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,1,0,0,0|1,0,1]=4 489 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,1,0,0,0|0,0,2]=4 490 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,1,0,0,0|1,0,0]=3 491 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.2 CNC(=O)NC(=O)C CNP0066396.0 [0,1,1,0,0,0|2,0,0]=4 493 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,1,1,0,0,0|2,0,0]=4 494 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [0,1,1,0,0,0|1,0,0]=3 495 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [0,1,1,0,0,0|1,0,1]=4 496 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,1,0,0,0|1,0,1]=4 498 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,1,0,0,0|1,0,1]=4 499 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,1,0,0,0|1,0,1]=4 500 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,1,0,0,0|1,0,1]=4 501 B7R0.2 O=C(C=C(Br)Br)CBr CNP0357798.0 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,1,0,0,0|2,0,0]=4 503 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,1,1,0,0,0|1,0,1]=4 504 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,1,0,0,0|1,0,0]=3 505 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,1,0,0,0|0,0,0]=2 506 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,1,0,0,0|1,0,0]=3 507 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,1,0,0,0|1,0,1]=4 508 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,1,0,0,0|1,0,1]=4 509 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,1,1,0,0,0|1,0,1]=4 510 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,1,0,0,0|0,0,2]=4 511 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,1,0,0,0|0,0,2]=4 512 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,1,0,0,0|0,0,1]=3 513 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,1,0,0,0|0,0,2]=4 514 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,1,0,0,0|1,0,1]=4 515 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,1,0,0,0|0,0,0]=2 516 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,1,0,0,0|1,0,1]=4 517 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,1,0,0,0|0,0,2]=4 518 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,1,0,0,0|1,0,1]=4 519 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,1,0,0,0|0,0,2]=4 520 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,1,0,0,0|1,0,1]=4 521 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,1,0,0,0|2,0,0]=4 522 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,1,0,0,0|0,0,2]=4 523 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [0,1,1,0,0,0|1,0,0]=3 524 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [0,1,1,0,0,0|1,0,1]=4 525 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,1,0,0,0|1,0,1]=4 526 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,1,0,0,0|1,0,0]=3 527 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,1,0,0,0|1,0,0]=3 528 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,1,0,0,0|1,0,1]=4 529 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,1,0,0,0|1,0,0]=3 530 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,1,0,0,0|1,0,0]=3 531 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,1,0,0,0|1,0,1]=4 532 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,1,1,0,0,0|1,0,1]=4 533 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,1,0,0,0|0,0,1]=3 534 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,1,0,0,0|1,0,0]=3 535 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,1,0,0,0|1,0,0]=3 536 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,1,0,0,0|0,0,2]=4 537 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,1,0,0,0|0,0,2]=4 538 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,1,0,0,0|0,0,2]=4 539 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,1,0,0,0|1,0,1]=4 540 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,1,0,0,0|1,0,1]=4 541 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,1,0,0,0|1,0,1]=4 542 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,1,0,0,0|1,0,1]=4 543 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,1,0,0,0|1,0,1]=4 544 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,1,0,0,0|2,0,0]=4 545 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|1,0,1]=4 546 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,1,0,0,0|1,0,0]=3 547 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,1,0,0,0|2,0,0]=4 548 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,1,0,0,0|2,0,0]=4 549 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,1,0,0,0|0,0,0]=2 550 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,1,1,0,0,0|1,0,1]=4 551 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,1,0,0,0|0,0,0]=2 552 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,1,0,0,0|1,0,1]=4 553 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,1,0,0,0|0,0,2]=4 554 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,1,0,0,0|1,0,1]=4 555 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,1,0,0,0|0,0,2]=4 556 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,1,0,0,0|0,0,2]=4 557 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,1,0,0,0|1,0,0]=3 558 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,1,0,0,0|1,0,0]=3 559 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,1,0,0,0|1,0,0]=3 560 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,1,0,0,0|1,0,1]=4 561 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,1,0,0,0|1,0,1]=4 562 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,1,0,0,0|1,0,1]=4 563 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,1,0,0,0|1,0,1]=4 564 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,1,0,0,0|2,0,0]=4 565 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,1,0,0,0|0,0,0]=2 566 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|1,0,1]=4 567 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,1,0,0,0|0,0,0]=2 568 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [0,1,1,0,0,0|1,0,0]=3 569 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,1,0,0,0|1,0,0]=3 570 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,1,0,0,0|0,0,1]=3 571 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,1,0,0,0|0,0,2]=4 572 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,1,0,0,0|0,0,2]=4 573 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,1,0,0,0|1,0,1]=4 574 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,1,0,0,0|1,0,1]=4 575 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,1,0,0,0|1,0,1]=4 576 B7R0.10 CNC(=O)C(=O)NC CNP0130900.0 [0,1,1,0,0,0|2,0,0]=4 577 B7R0.10 COC(=O)C(=CBr)Br CNP0300706.0 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.10 COC(=O)C(=CCl)Cl CNP0234657.0 [0,1,1,0,0,0|2,0,0]=4 579 B7R0.10 COC(=O)C(=CI)I CNP0239828.0 [0,1,1,0,0,0|2,0,0]=4 580 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [0,1,1,0,0,0|2,0,0]=4 581 B7R0.10 O=C(CBr)C(=CBr)Br CNP0108777.0 [0,1,1,0,0,0|2,0,0]=4 582 B7R0.10 O=C(CBr)C(=CBr)Cl CNP0017695.0 [0,1,1,0,0,0|2,0,0]=4 583 B7R0.10 O=C(CCl)C(=CBr)Br CNP0341376.0 [0,1,1,0,0,0|2,0,0]=4 584 B7R0.10 O=C(CI)C(=CBr)Br CNP0111575.0 [0,1,1,0,0,0|2,0,0]=4 585 B7R0.11 CC=CS(=O)(=O)SC CNP0192483.0 [0,1,1,0,0,0|2,0,0]=4 586 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.12 C=NC(=COC)CC CNP0213287.0 [0,1,1,0,0,0|2,0,0]=4 588 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,1,0,0,0|1,0,1]=4 589 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,1,0,0,0|1,0,1]=4 590 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,1,0,0,0|1,0,1]=4 592 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,1,0,0,0|0,0,2]=4 593 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,1,1,0,0,0|1,0,0]=3 594 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,1,0,0,0|0,0,1]=3 596 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,1,0,0,0|1,0,1]=4 597 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,1,0,0,0|0,0,2]=4 599 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,1,0,0,0|0,0,2]=4 600 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,1,0,0,0|0,0,2]=4 601 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|0,0,1]=3 602 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|1,0,1]=4 603 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,1,0,0,0|1,0,1]=4 604 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|0,0,0]=2 605 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,1,0,0,0|1,0,0]=3 606 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,1,1,0,0,0|2,0,0]=4 607 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,1,0,0,0|0,0,0]=2 608 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,1,0,0,0|1,0,0]=3 609 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,1,0,0,0|0,0,2]=4 610 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,1,0,0,0|1,0,1]=4 611 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,1,0,0,0|1,0,1]=4 612 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,1,0,0,0|1,0,1]=4 613 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,1,0,0,0|0,0,2]=4 614 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,1,1,0,0,0|1,0,1]=4 615 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,1,1,0,0,0|1,0,1]=4 616 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,1,0,0,0|0,0,2]=4 617 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,1,0,0,0|1,0,1]=4 618 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,1,0,0,0|1,0,1]=4 619 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,1,0,0,0|0,0,2]=4 620 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,1,1,0,0,0|1,0,1]=4 621 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,1,1,0,0,0|1,0,1]=4 622 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,1,1,0,0,0|1,0,1]=4 623 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,1,1,0,0,0|2,0,0]=4 624 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,1,0,0,0|1,0,1]=4 625 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,1,0,0,0|1,0,1]=4 626 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,1,1,0,0,0|2,0,0]=4 627 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,1,0,0,0|1,0,1]=4 628 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,1,1,0,0,0|2,0,0]=4 629 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,1,1,0,0,0|1,0,0]=3 630 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,1,1,0,0,0|0,0,2]=4 631 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [0,1,1,0,0,0|1,0,1]=4 632 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [0,1,1,0,0,0|0,0,1]=3 633 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,1,1,0,0,0|1,0,1]=4 634 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,1,1,0,0,0|0,0,0]=2 635 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,1,0,0,0|0,0,2]=4 636 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,1,0,0,0|1,0,1]=4 637 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,1,0,0,0|1,0,1]=4 638 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,1,1,0,0,0|1,0,1]=4 639 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,1,1,0,0,0|1,0,0]=3 640 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,1,1,0,0,0|1,0,0]=3 641 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,1,1,0,0,0|1,0,1]=4 642 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,1,0,0,0|1,0,1]=4 643 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,1,1,0,0,0|1,0,1]=4 644 B7R0.6 CC(O)C=CC(C)O CNP0301514.0 [0,1,1,0,0,0|0,0,2]=4 645 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,1,1,0,0,0|1,0,1]=4 646 B7R0.8 CS(=O)(=O)C=CCO CNP0185981.0 [0,1,1,0,0,0|2,0,0]=4 647 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,1,1,0,0,0|1,0,1]=4 648 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|1,0,1]=4 649 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|1,0,1]=4 650 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,1,1,0,0,0|1,0,1]=4 651 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,1,0,0,0|1,0,0]=3 652 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,1,1,0,0,0|1,0,0]=3 653 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,1,1,0,0,0|1,0,0]=3 654 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,1,0,0,0|1,0,1]=4 655 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,1,0,0,0|0,0,2]=4 656 B7R0.1 C=CCCCN=C=S CNP0144953.0 [0,1,1,0,0,0|0,1,1]=4 657 B7R0.1 C=CCCN=CC=S CNP0091885.0 [0,1,1,0,0,0|0,1,1]=4 658 B7R0.1 C=CCSSCC=C CNP0311793.0 [0,1,1,0,0,0|2,0,0]=4 659 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,1,0,0,0|1,0,0]=3 660 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,1,1,0,0,0|1,0,1]=4 661 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,1,0,0,0|1,0,1]=4 662 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,1,0,0,0|1,0,1]=4 663 B7R0.1 CC=CSSCCC CNP0421889.0 [0,1,1,0,0,0|2,0,0]=4 664 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|0,0,1]=3 665 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,1,0,0,0|1,0,1]=4 666 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|0,0,2]=4 667 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,1,0,0,0|0,0,2]=4 668 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,1,0,0,0|1,0,1]=4 669 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,1,0,0,0|1,0,1]=4 670 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,1,0,0,0|0,0,1]=3 671 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,1,0,0,0|0,0,0]=2 672 B7R0.1 CCCC=CCCC CNP0541880.0 [0,1,1,0,0,0|1,0,1]=4 673 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,1,0,0,0|0,0,2]=4 674 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,1,0,0,0|0,0,0]=2 675 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,1,0,0,0|0,0,2]=4 676 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,1,0,0,0|0,0,2]=4 677 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,1,0,0,0|0,0,2]=4 678 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,1,1,0,0,0|0,1,1]=4 679 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,1,1,0,0,0|0,1,1]=4 680 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|0,0,2]=4 681 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,0,1,0|1,0,0]=3 682 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,0,1,0|1,0,1]=4 684 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,0,1,0|1,0,1]=4 685 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,0,1,0|1,0,1]=4 686 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,0,1,0|1,0,1]=4 687 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,0,1,0|1,0,1]=4 688 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,0,1,0|1,0,1]=4 689 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,0,1,0|1,0,1]=4 690 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,0,1,0|0,0,0]=2 691 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,1,0,0,1,0|1,0,0]=3 692 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,0,1,0|1,0,0]=3 693 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,1,0,0,1,0|0,1,0]=3 694 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,1,0,0,1,0|2,0,0]=4 695 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,0,1,0|1,0,1]=4 696 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,0,1,0|0,0,1]=3 697 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,0,1,0|1,0,0]=3 698 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,0,1,0|1,1,0]=4 699 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,0,1,0|0,0,1]=3 700 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,0,1,0|1,0,0]=3 701 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,0,1,0|1,0,0]=3 702 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,0,1,0|2,0,0]=4 703 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,0,1,0|1,0,0]=3 704 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,0,1,0|1,0,0]=3 705 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,0,1,0|1,0,0]=3 706 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,0,1,0|1,0,0]=3 707 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,1,0,0,1,0|2,0,0]=4 709 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,0,1,0|1,0,0]=3 710 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,0,1,0|0,0,1]=3 711 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,0,1,0|1,0,1]=4 712 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,0,1,0|1,0,1]=4 713 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,0,1,0|0,0,0]=2 714 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,0,1,0|1,0,0]=3 715 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,0,1,0|1,0,0]=3 716 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,0,1,0|0,0,1]=3 717 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,0,1,0|1,0,0]=3 718 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,0,1,0|1,0,0]=3 719 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,0,1,0|1,0,0]=3 720 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,0,1,0|1,0,0]=3 721 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,1,0,0,1,0|2,0,0]=4 722 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,1,0,0,1,0|2,0,0]=4 723 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,1,0,0,1,0|2,0,0]=4 724 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,0,1,0|1,0,0]=3 725 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,0,1,0|1,0,0]=3 726 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,0,1,0|1,0,0]=3 727 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,0,1,0|1,0,0]=3 728 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,0,1,0|1,0,1]=4 729 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,0,1,0|1,0,1]=4 730 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,0,1,0|1,0,0]=3 731 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,0,1,0|1,0,0]=3 732 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,0,1,0|1,1,0]=4 733 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,1,0,0,1,0|1,1,0]=4 734 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,0,1,0|0,0,0]=2 735 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,0,1,0|1,0,0]=3 736 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,0,1,0|2,0,0]=4 737 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,0,1,0|1,0,1]=4 738 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,0,1,0|1,0,1]=4 739 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,0,1,0|1,0,0]=3 740 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,0,1,0|1,0,0]=3 741 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,0,1,0|0,0,1]=3 742 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,0,1,0|1,0,0]=3 743 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,0,1,0|1,0,1]=4 744 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,0,1,0|0,0,1]=3 745 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,0,1,0|1,0,0]=3 746 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,0,1,0|1,0,1]=4 747 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,0,1,0|1,0,0]=3 748 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,0,1,0|2,0,0]=4 749 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,0,1,0|1,0,0]=3 750 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,0,1,0|1,0,0]=3 751 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,0,1,0|2,0,0]=4 752 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,0,1,0|0,0,1]=3 753 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,0,1,0|0,0,0]=2 754 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,0,1,0|0,0,0]=2 755 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,0,1,0|1,0,1]=4 756 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,0,1,0|1,0,0]=3 757 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,0,1,0|1,0,0]=3 758 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,1,0,0,1,0|1,0,1]=4 759 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,0,0,1|0,0,2]=4 760 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,0,0,1|0,0,2]=4 761 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,0,0,1|0,0,2]=4 762 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,0,0,1|0,0,0]=2 763 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,0,0,1|0,0,2]=4 764 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,0,0,1|0,0,2]=4 765 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,0,0,1|0,0,1]=3 766 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,0,0,1|0,0,1]=3 767 B9R1.48 O=C1CCCNC(=O)N1 CNP0110595.0 [0,1,0,0,0,1|1,0,0]=3 768 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [0,2,0,0,0,0|1,0,1]=4 769 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,2,0,0,0,0|0,0,2]=4 770 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,2,0,0,0,0|1,0,1]=4 771 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,2,0,0,0,0|0,0,2]=4 772 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,2,0,0,0,0|1,0,1]=4 773 B9R1.2 CC1=CC(=NO)CCC1 CNP0170779.0 [0,2,0,0,0,0|0,0,1]=3 774 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,2,0,0,0,0|1,0,1]=4 775 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,2,0,0,0,0|0,0,0]=2 776 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,2,0,0,0,0|1,0,0]=3 777 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,2,0,0,0,0|1,0,1]=4 778 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,2,0,0,0,0|0,0,1]=3 779 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,2,0,0,0,0|1,0,1]=4 780 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,2,0,0,0,0|2,0,0]=4 781 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,2,0,0,0,0|1,0,1]=4 782 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,2,0,0,0,0|0,0,1]=3 783 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,2,0,0,0,0|1,0,1]=4 784 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,2,0,0,0,0|1,0,1]=4 785 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,2,0,0,0,0|2,0,0]=4 786 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,2,0,0,0,0|1,0,1]=4 787 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,2,0,0,0,0|1,0,1]=4 788 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,2,0,0,0,0|1,0,1]=4 789 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,2,0,0,0,0|1,0,1]=4 790 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,2,0,0,0,0|0,0,2]=4 791 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,2,0,0,0,0|0,0,2]=4 792 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,2,0,0,0,0|0,0,2]=4 793 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,2,0,0,0,0|0,0,2]=4 794 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,2,0,0,0,0|0,0,2]=4 795 B9R1.15 N#CC1=C(CCCC1)N CNP0339241.0 [0,2,0,0,0,0|1,0,1]=4 796 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,2,0,0,0,0|1,0,1]=4 797 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,2,0,0,0,0|1,0,1]=4 798 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,2,0,0,0,0|1,0,1]=4 799 B9R1.15 O=CC1=C(NCNC1)O CNP0278116.0 [0,2,0,0,0,0|2,0,0]=4 800 B9R1.10 CC1(C=CC(CC1)O)C CNP0533712.0 [0,2,0,0,0,0|0,0,2]=4 801 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,2,0,0,0,0|1,0,1]=4 802 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,2,0,0,0,0|0,0,0]=2 803 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,2,0,0,0,0|1,0,0]=3 805 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,2,0,0,0,0|0,0,2]=4 806 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,2,0,0,0,0|0,0,0]=2 807 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,2,0,0,0,0|1,0,1]=4 808 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,2,0,0,0,0|2,0,0]=4 809 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,2,0,0,0,0|2,0,0]=4 810 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,2,0,0,0,0|0,0,1]=3 811 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,2,0,0,0,0|1,0,1]=4 812 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,2,0,0,0,0|1,0,1]=4 814 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,2,0,0,0,0|1,0,1]=4 815 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,2,0,0,0,0|1,0,0]=3 816 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,2,0,0,0,0|0,0,0]=2 818 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,2,0,0,0,0|1,0,1]=4 821 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,2,0,0,0,0|1,0,1]=4 822 B9R1.69 OC1C=CC(=CC1O)Br CNP0083764.0 [0,2,0,0,0,0|1,0,1]=4 823 B9R1.69 OC1C=CC(=CC1O)Cl CNP0158763.0 [0,2,0,0,0,0|1,0,1]=4 824 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,2,0,0,0,0|1,0,0]=3 825 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,2,0,0,0,0|0,0,1]=3 826 B9R1.3 CC1CCCC(C1=O)C CNP0612142.0 [0,2,0,0,0,0|0,0,2]=4 827 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,2,0,0,0,0|1,0,1]=4 828 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,2,0,0,0,0|0,0,1]=3 829 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,2,0,0,0,0|1,0,1]=4 830 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,2,0,0,0,0|1,0,1]=4 832 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,2,0,0,0,0|1,0,1]=4 833 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,2,0,0,0,0|1,0,1]=4 834 B9R1.3 OC1C=CC=C(C1O)Br CNP0118456.0 [0,2,0,0,0,0|1,0,1]=4 835 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,2,0,0,0,0|0,0,0]=2 836 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,2,0,0,0,0|1,0,0]=3 837 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,2,0,0,0,0|1,0,1]=4 838 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,2,0,0,0,0|1,0,0]=3 839 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,2,0,0,0,0|1,0,1]=4 840 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,2,0,0,0,0|0,0,2]=4 841 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,2,0,0,0,0|1,0,1]=4 842 B9R1.66 C[C@H]1CC=CC(C1)(C)C CNP0096572.1 [0,2,0,0,0,0|1,0,1]=4 843 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,2,0,0,0,0|1,0,1]=4 844 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,2,0,0,0,0|0,0,0]=2 845 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,1,1,0,0|1,0,1]=4 846 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,1,1,0,0|0,0,2]=4 847 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,1,1,0,0|0,0,2]=4 848 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,1,1,0,0|1,0,1]=4 849 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,1,1,0,0|2,0,0]=4 850 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,1,1,0,0|2,0,0]=4 851 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,1,1,0,0|1,0,0]=3 852 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|1,0,1]=4 853 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,1,0,1|1,0,1]=4 854 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,1,0,1|1,0,1]=4 855 B9R2.21 BrC1=CC2OC2C=C1 CNP0105064.0 [0,0,0,1,0,1|1,0,1]=4 856 B9R2.109 BrC1=CC=CC2C1O2 CNP0107193.0 [0,0,0,1,0,1|1,0,1]=4 857 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,1|0,0,2]=4 858 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,1|0,0,2]=4 859 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,1,0,1|1,0,1]=4 860 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,1,0,1,0,0|0,0,2]=4 861 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [0,1,0,1,0,0|1,0,1]=4 862 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,1,0,1,0,0|1,0,1]=4 863 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,1,0,1,0,0|0,0,2]=4 864 B9R2.19 OC1C=CC2CC1C2 CNP0085871.0 [0,1,0,1,0,0|0,0,2]=4 865 B9R2.25 NC1=NC(=O)N2C1C2 CNP0517914.0 [0,1,0,1,0,0|2,0,0]=4 866 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,1,0,1,0,0|0,0,2]=4 867 B9R2.39 OC1CC2C=CC1C2 CNP0506410.0 [0,1,0,1,0,0|1,0,1]=4 868 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,0,1,0|0,0,1]=3 869 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,0,1,0|0,0,0]=2 870 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,0,1,0|1,0,0]=3 871 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,0,1,0|1,0,1]=4 872 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,0,1,0|1,0,0]=3 873 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,0,1,0|2,0,0]=4 874 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,0,1,0|1,0,1]=4 875 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,0,1,0|1,0,0]=3 876 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,0,1,0|2,0,0]=4 877 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,0,1,0|1,0,1]=4 878 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,0,1,0|1,0,0]=3 879 B5R1.1 C1=CSCS1 CNP0479150.0 [1,0,0,0,1,0|2,0,0]=4 880 B5R1.1 C1=CSSC1 CNP0490976.0 [1,0,0,0,1,0|2,0,0]=4 881 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,0,1,0|1,0,0]=3 882 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,0,1,0|1,0,0]=3 883 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,0,1,0|0,0,2]=4 884 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,0,1,0|1,0,1]=4 885 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,0,1,0|1,0,1]=4 886 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,0,1,0|1,0,1]=4 887 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,0,1,0|1,0,1]=4 888 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,0,1,0|2,0,0]=4 889 B5R1.2 CC1CCC1 CNP0546383.0 [0,0,0,0,2,0|1,0,1]=4 890 B5R1.2 NC1CCC1 CNP0609061.0 [0,0,0,0,2,0|1,0,1]=4 891 B5R1.2 O=C1CCO1 CNP0555602.0 [0,0,0,0,2,0|1,0,0]=3 892 B5R1.2 OC1CCC1 CNP0562500.0 [0,0,0,0,2,0|0,0,2]=4 893 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [0,0,0,0,2,0|1,0,1]=4 894 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,0,0,0,2|1,0,0]=3 895 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,0,0,2|0,0,2]=4