0 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,0,0,0|1,0,2]=3 9 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [0,0,0,0,0,0|1,0,0]=1 15 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [0,0,0,0,0,0|1,0,0]=1 20 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,0,0,0|0,0,2]=2 27 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,0,0,0|1,0,1]=2 28 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,0,0,0|1,0,1]=2 29 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,0,0,0|2,0,1]=3 30 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,0,0,0|0,0,4]=4 31 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,0,0,0|1,0,3]=4 32 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [0,0,0,0,0,0|1,0,1]=2 33 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,0,0,0,0|1,0,1]=2 34 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,0,0,0,0,0|2,0,1]=3 35 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,0,0,0|0,0,4]=4 36 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,0,0,0|1,0,3]=4 37 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,0,0,0|2,0,2]=4 38 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,0,0,0,0|0,0,0]=0 39 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,0,0,0,0|1,0,0]=1 40 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,0,0,0,0|1,0,0]=1 41 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [0,0,0,0,0,0|1,0,0]=1 42 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,0,0,0|0,0,4]=4 43 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,0,0,0|1,0,2]=3 44 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,0,0,0|0,0,4]=4 45 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,0,0,0|0,0,4]=4 46 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,0,0,0|0,0,4]=4 47 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,0,0,0,0,0|0,1,0]=1 48 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [0,0,0,0,0,0|1,1,0]=2 49 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [1,0,0,0,0,0|0,0,0]=1 50 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [1,0,0,0,0,0|1,0,0]=2 51 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [1,0,0,0,0,0|0,1,0]=2 52 B6R1.1 C1=CCC=CC1 CNP0508932.0 [1,0,0,0,0,0|0,0,2]=3 53 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,0,0,0|0,0,2]=3 54 B6R1.1 C1=CCN=CC1 CNP0062927.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,0,0,0|1,0,1]=3 56 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,0,0,0|1,0,1]=3 57 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,0,0,0|1,0,1]=3 58 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.1 C1=CP=PP=C1 CNP0580759.0 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.1 C1=CSSC=C1 CNP0509445.0 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [1,0,0,0,0,0|0,0,1]=2 64 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,1,0,0,0,0|3,0,0]=4 65 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,1,0,0,0,0|2,0,0]=3 69 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,1,0,0,0,0|1,0,2]=4 70 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,1,0,0,0,0|2,0,0]=3 74 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,1,0,0,0,0|1,0,0]=2 77 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,1,0,0,0,0|0,0,0]=1 78 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,1,0,0,0,0|1,0,0]=2 79 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,1,0,0,0,0|1,0,0]=2 80 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,1,0,0,0,0|0,0,1]=2 81 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,1,0,0,0,0|0,1,0]=2 83 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,1,0,0,0,0|2,1,0]=4 84 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,1,0,0,0,0|1,0,0]=2 85 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,1,0,0,0,0|1,0,0]=2 86 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,1,0,0,0,0|1,0,0]=2 91 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,1,0,0,0,0|1,0,0]=2 93 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,1,0,0,0,0|0,0,0]=1 94 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,1,0,0,0,0|0,0,1]=2 95 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,1,0,0,0,0|1,0,1]=3 96 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,0,0,0|0,0,3]=4 97 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,1,0,0,0,0|1,0,1]=3 98 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,1,0,0,0,0|0,0,1]=2 99 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,1,0,0,0,0|1,0,1]=3 100 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,0,0,0|0,0,2]=3 102 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,1,0,0,0,0|0,1,0]=2 105 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,1,0,0,0,0|0,1,0]=2 106 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,1,0,0,0,0|1,1,0]=3 107 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,1,0,0,0,0|1,1,0]=3 108 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,1,0,0,0,0|2,1,0]=4 109 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,1,0,0,0,0|0,0,0]=1 110 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [0,1,0,0,0,0|0,0,1]=2 113 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [0,1,0,0,0,0|0,0,0]=1 118 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [0,1,0,0,0,0|0,1,0]=2 119 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [0,1,0,0,0,0|2,0,0]=3 120 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [0,1,0,0,0,0|1,0,0]=2 121 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [0,1,0,0,0,0|2,0,0]=3 122 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [0,1,0,0,0,0|1,0,0]=2 124 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [0,1,0,0,0,0|2,0,0]=3 128 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [0,1,0,0,0,0|1,0,0]=2 130 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [0,1,0,0,0,0|1,0,0]=2 132 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [0,1,0,0,0,0|0,0,0]=1 133 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [0,1,0,0,0,0|0,0,1]=2 138 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,0,0,0|0,0,3]=4 139 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,0,0,0|1,0,2]=4 140 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [0,1,0,0,0,0|0,0,0]=1 143 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [0,1,0,0,0,0|0,0,0]=1 144 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [0,1,0,0,0,0|0,0,0]=1 145 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [0,1,0,0,0,0|0,0,0]=1 146 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [0,1,0,0,0,0|0,0,0]=1 147 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,1,0,0,0,0|1,0,0]=2 153 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,1,0,0,0,0|0,0,0]=1 157 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,1,0,0,0,0|2,0,0]=3 160 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,1,0,0,0,0|1,0,1]=3 161 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,1,0,0,0,0|2,0,0]=3 162 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,1,0,0,0,0|2,0,0]=3 166 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,0,0,0|1,0,2]=4 167 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,1,0,0,0,0|2,0,0]=3 168 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,1,0,0,0,0|1,0,0]=2 169 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,1,0,0,0,0|1,0,0]=2 172 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,1,0,0,0,0|2,0,0]=3 173 B8R1.4 N=C1C=CNC(=N)N1 CNP0079987.0 [0,1,0,0,0,0|3,0,0]=4 174 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,1,0,0,0,0|1,0,0]=2 175 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,1,0,0,0,0|1,0,0]=2 176 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,1,0,0,0,0|0,0,0]=1 177 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,1,0,0,0,0|2,0,0]=3 179 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.4 NC1=CN=CC(=N1)Cl CNP0482214.0 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,0,0,0|0,0,3]=4 184 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,0,0,0|1,0,2]=4 185 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,1,0,0,0,0|2,0,1]=4 187 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,1,0,0,0,0|2,0,1]=4 188 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,1,0,0,0,0|0,0,0]=1 190 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,1,0,0,0,0|0,0,0]=1 191 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,1,0,0,0,0|2,0,0]=3 192 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,1,0,0,0,0|2,0,0]=3 193 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,1,0,0,0,0|2,0,0]=3 194 B8R1.4 OC1=NC=C[C@@H](N1)O CNP0520430.1 [0,1,0,0,0,0|2,0,1]=4 195 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,1,0,0,0,0|0,0,1]=2 196 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,1,0,0,0,0|1,0,1]=3 199 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,0,0,0|1,0,2]=4 200 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,1,0,0,0,0|1,0,0]=2 201 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,1,0,0,0,0|1,0,0]=2 202 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,1,0,0,0,0|1,0,0]=2 203 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,1,0,0,0,0|0,0,0]=1 205 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,1,0,0,0,0|0,1,0]=2 206 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,1,0,0,0,0|1,0,1]=3 208 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,1,0,0,0,0|2,0,0]=3 209 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,1,0,0,0,0|2,0,0]=3 210 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,1,0,0,0,0|2,0,0]=3 211 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,1,0,0,0,0|2,0,0]=3 212 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,1,0,0,0,0|2,0,1]=4 214 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,1,0,0,0,0|1,0,0]=2 215 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,1,0,0,0,0|3,0,0]=4 216 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,1,0,0,0,0|1,0,0]=2 217 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,1,0,0,0,0|1,0,2]=4 218 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,1,0,0,0,0|2,0,0]=3 219 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,1,0,0,0,0|1,0,0]=2 221 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,1,0,0,0,0|0,0,0]=1 222 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,1,0,0,0,0|0,1,0]=2 223 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,1,0,0,0,0|0,0,1]=2 226 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,1,0,0,0,0|0,0,1]=2 227 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,0,0,0|0,0,3]=4 228 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,1,0,0,0,0|1,0,0]=2 229 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,1,0,0,0,0|1,0,0]=2 230 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,0,0,0|0,0,3]=4 231 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,1,0,0,0,0|1,0,0]=2 232 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,1,0,0,0,0|1,0,0]=2 233 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,1,0,0,0,0|0,0,0]=1 234 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,1,0,0,0,0|0,0,0]=1 235 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,1,0,0,0,0|0,0,0]=1 236 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,1,0,0,0,0|1,0,0]=2 237 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,1,0,0,0,0|1,0,0]=2 238 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,1,0,0,0,0|1,0,0]=2 239 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [0,1,0,0,0,0|1,0,0]=2 240 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,1,0,0,0,0|0,0,0]=1 241 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,1,0,0,0,0|0,0,2]=3 242 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,1,0,0,0,0|0,0,2]=3 243 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,1,0,0,0,0|0,0,2]=3 244 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,1,0,0,0,0|1,0,0]=2 245 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [0,1,0,0,0,0|1,0,1]=3 246 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [0,1,0,0,0,0|1,0,1]=3 247 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [0,1,0,0,0,0|1,0,1]=3 248 B8R1.72 O=S1(=O)C=CC=CN1 CNP0480908.0 [0,1,0,0,0,0|2,0,1]=4 249 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|1,0,0]=2 250 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|2,0,1]=4 251 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|1,0,2]=4 252 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [0,0,1,0,0,0|1,0,0]=2 253 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,0,1,0,0,0|1,0,2]=4 254 B6R0.4 CC=CC=C(C)C CNP0318303.0 [0,0,1,0,0,0|1,0,2]=4 255 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,1,0,0,0|1,0,2]=4 256 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,1,0,0,0|1,0,2]=4 257 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,0,1,0,0,0|1,0,2]=4 261 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|1,0,0]=2 262 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,1,0,0,0|1,0,2]=4 263 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|1,0,2]=4 264 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|0,0,2]=3 265 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|1,0,2]=4 266 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|0,0,2]=3 267 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|2,0,1]=4 268 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|2,0,1]=4 269 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [0,0,0,1,0,0|0,0,2]=3 270 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [0,0,0,1,0,0|1,0,0]=2 271 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [0,0,0,0,1,0|2,0,0]=3 272 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,0,1,0|1,0,2]=4 273 B6R1.2 CC1=CC=CN1 CNP0003130.0 [0,0,0,0,1,0|2,0,0]=3 274 B6R1.2 CC1=CC=CO1 CNP0204821.0 [0,0,0,0,1,0|2,0,0]=3 275 B6R1.2 CC1=CC=CS1 CNP0308280.0 [0,0,0,0,1,0|2,0,0]=3 276 B6R1.2 CC1=CN=CN1 CNP0175437.0 [0,0,0,0,1,0|3,0,0]=4 277 B6R1.2 CC1=CN=CS1 CNP0003129.0 [0,0,0,0,1,0|3,0,0]=4 278 B6R1.2 CC1=CNC=C1 CNP0578230.0 [0,0,0,0,1,0|2,0,0]=3 279 B6R1.2 CC1=CNC=N1 CNP0484047.0 [0,0,0,0,1,0|3,0,0]=4 280 B6R1.2 CC1=CNN=C1 CNP0179752.0 [0,0,0,0,1,0|3,0,0]=4 281 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,0,1,0|2,0,0]=3 282 B6R1.2 CC1=CSC=C1 CNP0153726.0 [0,0,0,0,1,0|2,0,0]=3 283 B6R1.2 CC1=CSC=N1 CNP0121199.0 [0,0,0,0,1,0|3,0,0]=4 284 B6R1.2 CC1=NC=CS1 CNP0611676.0 [0,0,0,0,1,0|3,0,0]=4 285 B6R1.2 CN1C=CC=C1 CNP0084622.0 [0,0,0,0,1,0|2,0,0]=3 286 B6R1.2 CN1C=CN=C1 CNP0492624.0 [0,0,0,0,1,0|3,0,0]=4 287 B6R1.2 IC1=CNN=C1 CNP0529767.0 [0,0,0,0,1,0|3,0,0]=4 288 B6R1.2 N=C1NC=CN1 CNP0546499.0 [0,0,0,0,1,0|3,0,0]=4 289 B6R1.2 N=C1NC=CS1 CNP0292445.0 [0,0,0,0,1,0|3,0,0]=4 290 B6R1.2 NC1=CN=CN1 CNP0269270.0 [0,0,0,0,1,0|3,0,0]=4 291 B6R1.2 NC1=COC=N1 CNP0572216.0 [0,0,0,0,1,0|3,0,0]=4 292 B6R1.2 NC1=NC=CN1 CNP0407827.0 [0,0,0,0,1,0|3,0,0]=4 293 B6R1.2 NC1=NC=CS1 CNP0515899.0 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.2 NC1=NNC=C1 CNP0210263.0 [0,0,0,0,1,0|3,0,0]=4 295 B6R1.2 NN1C=CC=C1 CNP0148646.0 [0,0,0,0,1,0|2,0,0]=3 296 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,0,1,0|0,0,3]=4 297 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,0,1,0|1,0,2]=4 298 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [0,0,0,0,1,0|2,0,1]=4 299 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,0,1,0|2,0,1]=4 300 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,0,1,0|2,0,1]=4 301 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,0,1,0|1,0,2]=4 302 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,0,1,0|2,0,1]=4 303 B6R1.2 OC1=CC=CO1 CNP0600093.0 [0,0,0,0,1,0|1,0,0]=2 304 B6R1.2 OC1=CON=C1 CNP0302207.0 [0,0,0,0,1,0|2,0,0]=3 305 B6R1.2 OC1=NNC=N1 CNP0175966.0 [0,0,0,0,1,0|3,0,0]=4 306 B6R1.2 S=C1C=CSS1 CNP0140042.0 [0,0,0,0,1,0|2,1,0]=4 307 B6R1.2 SC1=CC=CS1 CNP0113015.0 [0,0,0,0,1,0|1,1,0]=3 308 B6R1.2 SC1=CSC=C1 CNP0208450.0 [0,0,0,0,1,0|1,1,0]=3 309 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,0,0,0,1|0,0,1]=2 310 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,1]=4 311 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,1]=4 312 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|1,0,1]=4 313 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|1,0,1]=4 314 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|2,0,0]=4 315 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|2,0,0]=4 316 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|0,0,0]=2 318 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,1]=3 319 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|0,0,2]=4 320 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|0,0,2]=4 321 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,1,0,0,0|0,0,2]=4 322 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|1,0,1]=4 323 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|0,0,2]=4 324 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|1,0,1]=4 325 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,1]=4 326 B5R0.3 C=C[S+]([O-])C=C CNP0547152.0 [1,0,1,0,0,0|1,0,1]=4 327 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,1,0,0,0|2,0,0]=4 328 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|1,0,0]=3 329 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,1,1,0,0,0|1,0,1]=4 330 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [0,1,1,0,0,0|1,0,1]=4 331 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,1,0,0,0|1,0,0]=3 332 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|1,0,1]=4 333 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|1,0,0]=3 334 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|0,0,2]=4 335 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|1,0,0]=3 336 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [0,1,1,0,0,0|1,0,1]=4 337 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [0,1,1,0,0,0|2,0,0]=4 341 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|1,0,0]=3 344 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|1,0,0]=3 345 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|1,0,0]=3 347 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,1,0,0,0|0,0,2]=4 348 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|0,0,2]=4 349 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|0,0,2]=4 350 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,1,0,0,0|0,0,2]=4 351 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,1,1,0,0,0|0,0,1]=3 352 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|0,0,1]=3 353 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,1,0,0,1,0|2,0,0]=4 354 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,1,0,0,1,0|2,0,0]=4 355 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,1,0,0,1,0|2,0,0]=4 356 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,1,0,0,1,0|2,0,0]=4 357 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,0,1,0|2,0,0]=4 358 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,1,0,0,1,0|2,0,0]=4 359 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,1,0,0,1,0|2,0,0]=4 360 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,1,0,0,1,0|1,0,0]=3 361 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,1,0,0,1,0|1,0,0]=3 362 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,1,0,0,1,0|1,0,1]=4 363 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,1,0,0,1,0|1,1,0]=4 364 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,1,0,0,1,0|2,0,0]=4 365 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,1,0,0,1,0|2,0,0]=4 366 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,1,0,0,1,0|2,0,0]=4 367 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,1,0,0,1,0|1,0,1]=4 368 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,1,0,0,1,0|1,0,1]=4 369 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,1,0,0,1,0|1,0,1]=4 370 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,1,0,0,1,0|1,0,1]=4 371 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,1,0,0,1,0|1,0,1]=4 372 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,1,0,0,1,0|1,0,1]=4 373 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,1,0,0,1,0|1,0,0]=3 374 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,1,0,0,1,0|1,0,0]=3 375 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,1,0,0,1,0|1,0,0]=3 376 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,1,0,0,1,0|1,0,0]=3 377 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,1,0,0,1,0|1,1,0]=4 378 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,1,0,0,1,0|1,1,0]=4 379 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,1,0,0,1,0|1,0,1]=4 380 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,1,0,0,1,0|1,1,0]=4 381 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,1,0,0,1,0|1,1,0]=4 382 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,1,0,0,1,0|2,0,0]=4 383 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,1,0,0,1,0|2,0,0]=4 384 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,1,0,0,1,0|2,0,0]=4 385 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,1,0,0,1,0|2,0,0]=4 386 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,1,0,0,1,0|2,0,0]=4 387 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,1,0,0,1,0|2,0,0]=4 388 B7R1.2 N=C1C=C[C@H](N1)O CNP0200378.1 [0,1,0,0,1,0|1,0,1]=4 389 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,0,1,0|1,0,1]=4 390 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,1,0,0,1,0|0,0,2]=4 391 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,1,0,0,1,0|1,0,1]=4 392 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,1,0,0,1,0|1,0,1]=4 393 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,0,1,0|0,0,2]=4 394 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,1,0,0,1,0|1,0,1]=4 395 B7R1.2 OC1=NC(C=C1)O CNP0132128.0 [0,1,0,0,1,0|1,0,1]=4 396 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,1,0,0,1,0|2,0,0]=4 397 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,1,0,0,1,0|1,1,0]=4 398 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,1,0,0,1,0|1,1,0]=4 399 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,1,0,0,1,0|2,0,0]=4 400 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,1,0,0,1,0|2,0,0]=4 401 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,1,0,0,1,0|2,0,0]=4 402 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,1,0,0,1,0|0,0,2]=4 403 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,0,1,0|0,0,2]=4 404 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,0,1,0|1,0,1]=4 405 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,1,0,0,1,0|1,0,0]=3 406 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,1,0,0,0,1|0,0,0]=2 407 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,1,0,0,0,1|1,0,0]=3 408 B9R1.148 CC1(C=CC=CC=C1)C CNP0497867.0 [0,1,0,0,0,1|1,0,1]=4 409 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,2,0,0,0,0|1,0,0]=3 410 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,2,0,0,0,0|0,0,0]=2 411 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,2,0,0,0,0|1,0,0]=3 412 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,2,0,0,0,0|0,0,1]=3 413 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,2,0,0,0,0|0,0,1]=3 415 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,2,0,0,0,0|0,0,1]=3 416 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,2,0,0,0,0|1,0,0]=3 418 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,2,0,0,0,0|1,0,0]=3 419 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,2,0,0,0,0|1,0,0]=3 420 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,2,0,0,0,0|0,0,0]=2 421 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,2,0,0,0,0|2,0,0]=4 422 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,2,0,0,0,0|0,0,0]=2 426 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,2,0,0,0,0|0,0,0]=2 427 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,2,0,0,0,0|0,0,0]=2 428 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,2,0,0,0,0|0,0,0]=2 429 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,2,0,0,0,0|2,0,0]=4 430 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [0,2,0,0,0,0|1,0,0]=3 431 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [0,2,0,0,0,0|0,0,0]=2 432 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [0,2,0,0,0,0|0,0,0]=2 433 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [0,2,0,0,0,0|0,0,1]=3 434 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,2,0,0,0,0|0,0,1]=3 435 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,2,0,0,0,0|0,0,0]=2 436 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,2,0,0,0,0|0,0,0]=2 437 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,2,0,0,0,0|1,0,1]=4 438 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,2,0,0,0,0|0,0,1]=3 439 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,2,0,0,0,0|1,0,1]=4 440 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,2,0,0,0,0|1,0,1]=4 441 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,2,0,0,0,0|0,0,0]=2 442 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,2,0,0,0,0|0,0,0]=2 443 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,2,0,0,0,0|1,0,0]=3 444 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [0,2,0,0,0,0|0,0,1]=3 445 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,2,0,0,0,0|1,0,0]=3 446 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,2,0,0,0,0|0,0,1]=3 447 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,2,0,0,0,0|1,0,0]=3 448 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,2,0,0,0,0|2,0,0]=4 449 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,2,0,0,0,0|1,0,1]=4 450 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,2,0,0,0,0|1,0,1]=4 452 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,2,0,0,0,0|1,0,0]=3 454 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,2,0,0,0,0|0,0,0]=2 455 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,2,0,0,0,0|1,0,1]=4 457 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,2,0,0,0,0|1,0,0]=3 461 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,2,0,0,0,0|0,0,0]=2 462 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,2,0,0,0,0|0,0,0]=2 463 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,2,0,0,0,0|0,0,0]=2 464 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,2,0,0,0,0|0,0,0]=2 465 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [0,2,0,0,0,0|1,0,0]=3 469 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [0,2,0,0,0,0|0,0,0]=2 470 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,2,0,0,0,0|0,0,0]=2 471 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,2,0,0,0,0|0,0,1]=3 472 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,2,0,0,0,0|0,0,0]=2 473 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,2,0,0,0,0|0,0,0]=2 474 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,2,0,0,0,0|0,0,0]=2 475 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,2,0,0,0,0|1,0,0]=3 476 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,2,0,0,0,0|0,0,1]=3 478 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,2,0,0,0,0|1,0,1]=4 479 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,2,0,0,0,0|1,0,1]=4 480 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,2,0,0,0,0|1,0,1]=4 481 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,2,0,0,0,0|1,0,0]=3 482 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,2,0,0,0,0|2,0,0]=4 483 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,2,0,0,0,0|2,0,0]=4 484 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,2,0,0,0,0|1,0,0]=3 485 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,2,0,0,0,0|2,0,0]=4 486 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,2,0,0,0,0|1,0,0]=3 487 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,2,0,0,0,0|0,0,0]=2 488 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,2,0,0,0,0|1,0,0]=3 489 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,2,0,0,0,0|0,0,0]=2 490 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,2,0,0,0,0|0,0,1]=3 491 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,2,0,0,0,0|1,0,0]=3 492 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,2,0,0,0,0|1,1,0]=4 493 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,2,0,0,0,0|0,0,1]=3 494 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,2,0,0,0,0|1,0,1]=4 495 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,2,0,0,0,0|1,0,1]=4 496 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,2,0,0,0,0|1,0,1]=4 497 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,2,0,0,0,0|1,1,0]=4 498 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,2,0,0,0,0|1,0,1]=4 499 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,2,0,0,0,0|1,0,1]=4 500 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,2,0,0,0,0|1,0,1]=4 501 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,2,0,0,0,0|0,0,0]=2 502 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,2,0,0,0,0|1,0,0]=3 503 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,2,0,0,0,0|1,0,0]=3 504 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,2,0,0,0,0|1,0,0]=3 505 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,2,0,0,0,0|0,0,1]=3 507 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,2,0,0,0,0|0,0,1]=3 508 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,2,0,0,0,0|0,0,1]=3 509 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,2,0,0,0,0|0,0,1]=3 510 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,2,0,0,0,0|1,0,1]=4 511 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,2,0,0,0,0|1,0,1]=4 512 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,2,0,0,0,0|1,0,0]=3 513 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,2,0,0,0,0|0,0,1]=3 514 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,2,0,0,0,0|0,0,0]=2 515 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,2,0,0,0,0|0,0,0]=2 516 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,2,0,0,0,0|0,0,0]=2 517 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,2,0,0,0,0|0,0,0]=2 518 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,2,0,0,0,0|1,0,0]=3 519 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [0,2,0,0,0,0|0,0,0]=2 520 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [0,2,0,0,0,0|0,1,0]=3 521 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,2,0,0,0,0|1,0,0]=3 522 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,2,0,0,0,0|1,0,0]=3 524 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,2,0,0,0,0|1,0,0]=3 528 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,2,0,0,0,0|0,0,0]=2 529 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,2,0,0,0,0|1,0,0]=3 530 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,2,0,0,0,0|1,0,0]=3 531 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,2,0,0,0,0|0,0,0]=2 532 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,2,0,0,0,0|0,1,0]=3 533 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,2,0,0,0,0|0,1,0]=3 534 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,2,0,0,0,0|1,1,0]=4 535 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,2,0,0,0,0|1,0,0]=3 536 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [0,2,0,0,0,0|0,1,0]=3 537 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,2,0,0,0,0|1,0,0]=3 538 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,2,0,0,0,0|1,0,0]=3 539 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,2,0,0,0,0|1,0,0]=3 540 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,2,0,0,0,0|0,0,1]=3 541 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [0,2,0,0,0,0|0,0,1]=3 542 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [0,2,0,0,0,0|0,0,0]=2 543 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [0,2,0,0,0,0|0,0,1]=3 544 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,2,0,0,0,0|0,0,0]=2 545 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [0,2,0,0,0,0|0,0,0]=2 546 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,2,0,0,0,0|0,0,0]=2 547 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [0,2,0,0,0,0|0,1,0]=3 548 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,2,0,0,0,0|0,1,0]=3 549 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,2,0,0,0,0|1,0,0]=3 550 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,2,0,0,0,0|0,0,0]=2 551 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,2,0,0,0,0|1,0,0]=3 552 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,2,0,0,0,0|0,0,1]=3 553 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,2,0,0,0,0|1,0,0]=3 554 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,2,0,0,0,0|0,0,0]=2 555 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,2,0,0,0,0|0,0,1]=3 556 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,2,0,0,0,0|1,0,0]=3 559 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,2,0,0,0,0|0,0,0]=2 562 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,2,0,0,0,0|0,1,0]=3 563 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,2,0,0,0,0|2,0,0]=4 566 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,2,0,0,0,0|0,0,0]=2 567 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,2,0,0,0,0|0,0,0]=2 568 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,2,0,0,0,0|0,0,0]=2 569 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,2,0,0,0,0|0,0,1]=3 570 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,2,0,0,0,0|1,0,0]=3 571 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,2,0,0,0,0|1,0,0]=3 573 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,2,0,0,0,0|1,0,0]=3 574 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,2,0,0,0,0|2,0,0]=4 575 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,2,0,0,0,0|0,0,0]=2 576 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,2,0,0,0,0|0,0,1]=3 577 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,2,0,0,0,0|0,0,0]=2 578 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,2,0,0,0,0|0,0,0]=2 579 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,2,0,0,0,0|1,0,0]=3 580 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,2,0,0,0,0|1,0,1]=4 581 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,2,0,0,0,0|0,0,1]=3 582 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,2,0,0,0,0|0,0,0]=2 583 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,2,0,0,0,0|1,0,0]=3 584 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,2,0,0,0,0|0,0,0]=2 585 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,2,0,0,0,0|0,1,0]=3 586 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,2,0,0,0,0|0,0,0]=2 592 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,2,0,0,0,0|0,0,0]=2 595 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,2,0,0,0,0|1,0,0]=3 597 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,2,0,0,0,0|0,0,0]=2 598 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,2,0,0,0,0|1,0,0]=3 599 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,2,0,0,0,0|0,0,1]=3 600 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,2,0,0,0,0|0,0,2]=4 601 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,2,0,0,0,0|1,0,0]=3 603 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,2,0,0,0,0|1,0,0]=3 604 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,2,0,0,0,0|1,0,0]=3 605 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,2,0,0,0,0|1,0,0]=3 606 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,2,0,0,0,0|1,0,0]=3 607 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,2,0,0,0,0|0,0,0]=2 608 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,2,0,0,0,0|1,0,0]=3 609 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,2,0,0,0,0|1,0,0]=3 610 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,2,0,0,0,0|1,0,0]=3 611 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,2,0,0,0,0|0,0,0]=2 612 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,2,0,0,0,0|1,0,0]=3 613 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,2,0,0,0,0|1,0,0]=3 614 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,2,0,0,0,0|1,0,0]=3 615 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,2,0,0,0,0|1,0,0]=3 616 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,2,0,0,0,0|0,0,0]=2 617 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,2,0,0,0,0|0,1,0]=3 618 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,2,0,0,0,0|0,0,0]=2 619 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,2,0,0,0,0|0,0,0]=2 620 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,2,0,0,0,0|1,0,0]=3 622 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,2,0,0,0,0|1,0,0]=3 624 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,2,0,0,0,0|1,0,0]=3 625 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,2,0,0,0,0|1,0,0]=3 626 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,2,0,0,0,0|1,0,0]=3 627 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,2,0,0,0,0|0,0,0]=2 628 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,2,0,0,0,0|1,0,0]=3 629 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,2,0,0,0,0|1,0,0]=3 630 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,2,0,0,0,0|0,0,0]=2 631 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,2,0,0,0,0|1,0,0]=3 636 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,2,0,0,0,0|1,0,0]=3 639 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,2,0,0,0,0|0,0,0]=2 640 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,2,0,0,0,0|1,0,0]=3 641 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,2,0,0,0,0|0,0,0]=2 642 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,2,0,0,0,0|0,1,0]=3 643 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,2,0,0,0,0|1,0,0]=3 644 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,2,0,0,0,0|0,0,0]=2 645 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,2,0,0,0,0|1,0,0]=3 646 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,2,0,0,0,0|1,0,0]=3 647 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,2,0,0,0,0|1,0,0]=3 649 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,2,0,0,0,0|0,0,0]=2 650 B9R1.69 O=C1C=CN(C(=O)N1)O CNP0212690.0 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.69 O=C1NC=C(C(=O)N1)O CNP0573977.0 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,2,0,0,0,0|0,0,0]=2 653 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,2,0,0,0,0|0,0,0]=2 654 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,2,0,0,0,0|0,0,0]=2 655 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,2,0,0,0,0|0,0,0]=2 656 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,2,0,0,0,0|0,0,0]=2 657 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,2,0,0,0,0|0,0,0]=2 658 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,2,0,0,0,0|0,0,0]=2 659 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [0,2,0,0,0,0|2,0,0]=4 660 B9R1.69 OC1C=CC(=CC1O)Br CNP0083764.0 [0,2,0,0,0,0|0,0,2]=4 661 B9R1.69 OC1C=CC(=CC1O)Cl CNP0158763.0 [0,2,0,0,0,0|0,0,2]=4 662 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,2,0,0,0,0|1,0,1]=4 663 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,2,0,0,0,0|1,0,0]=3 664 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,2,0,0,0,0|1,0,0]=3 665 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,2,0,0,0,0|1,0,0]=3 666 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,2,0,0,0,0|1,0,1]=4 667 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,2,0,0,0,0|0,0,0]=2 668 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,2,0,0,0,0|1,0,0]=3 669 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,2,0,0,0,0|1,0,0]=3 670 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,2,0,0,0,0|0,0,0]=2 671 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,2,0,0,0,0|1,0,0]=3 672 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,2,0,0,0,0|1,0,0]=3 673 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,2,0,0,0,0|1,0,0]=3 674 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,2,0,0,0,0|1,0,0]=3 675 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,2,0,0,0,0|0,0,0]=2 676 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,2,0,0,0,0|1,0,0]=3 677 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,2,0,0,0,0|0,0,0]=2 678 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,2,0,0,0,0|0,0,0]=2 679 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,2,0,0,0,0|0,0,0]=2 680 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,2,0,0,0,0|0,1,0]=3 681 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,2,0,0,0,0|0,0,1]=3 682 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,2,0,0,0,0|2,0,0]=4 683 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,2,0,0,0,0|2,0,0]=4 684 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,2,0,0,0,0|2,0,0]=4 685 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,2,0,0,0,0|1,0,0]=3 686 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,2,0,0,0,0|1,0,0]=3 687 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [0,2,0,0,0,0|1,0,0]=3 688 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,2,0,0,0,0|0,0,0]=2 689 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,2,0,0,0,0|0,0,0]=2 690 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,2,0,0,0,0|0,0,0]=2 691 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,2,0,0,0,0|0,0,0]=2 692 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,2,0,0,0,0|0,0,0]=2 693 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,2,0,0,0,0|0,0,0]=2 694 B9R1.3 OC1C=CC=C(C1O)Br CNP0118456.0 [0,2,0,0,0,0|0,0,2]=4 695 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,2,0,0,0,0|1,0,0]=3 696 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,2,0,0,0,0|1,0,0]=3 697 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,2,0,0,0,0|1,0,0]=3 698 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,2,0,0,0,0|1,0,0]=3 699 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,2,0,0,0,0|1,0,0]=3 700 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,2,0,0,0,0|1,0,0]=3 701 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,2,0,0,0,0|0,0,0]=2 702 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,2,0,0,0,0|0,0,0]=2 703 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,2,0,0,0,0|0,1,0]=3 704 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,2,0,0,0,0|1,0,0]=3 705 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,2,0,0,0,0|2,0,0]=4 706 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,2,0,0,0,0|1,0,0]=3 707 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,2,0,0,0,0|2,0,0]=4 708 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,2,0,0,0,0|1,0,0]=3 709 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,2,0,0,0,0|1,0,1]=4 710 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,2,0,0,0,0|1,1,0]=4 711 B9R1.34 ClC1=CC(=CC(=C1)Cl)Cl CNP0491812.0 [0,2,0,0,0,0|1,0,0]=3 712 B9R1.34 NC1=CC(=CC(=C1)N)N CNP0518662.0 [0,2,0,0,0,0|1,0,0]=3 713 B9R1.34 NC1=CC(=CC(=N1)Cl)Cl CNP0352551.0 [0,2,0,0,0,0|2,0,0]=4 714 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [0,2,0,0,0,0|0,0,0]=2 715 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [0,2,0,0,0,0|0,0,0]=2 716 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,1,1,0,0|1,0,0]=3 717 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,1,1,0,0|2,0,0]=4 718 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|1,0,0]=3 719 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|1,0,1]=4 720 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,1,0,1,0,0|1,0,0]=3 721 B5R1.1 C1=CCC=C1 CNP0588646.0 [1,0,0,0,1,0|0,0,1]=3 722 B5R1.1 C1=CNC=C1 CNP0578490.0 [1,0,0,0,1,0|1,0,0]=3 723 B5R1.1 C1=CNC=N1 CNP0593616.0 [1,0,0,0,1,0|2,0,0]=4 724 B5R1.1 C1=CNN=C1 CNP0583187.0 [1,0,0,0,1,0|2,0,0]=4 725 B5R1.1 C1=COC=C1 CNP0601420.0 [1,0,0,0,1,0|1,0,0]=3 726 B5R1.1 C1=CON=C1 CNP0611744.0 [1,0,0,0,1,0|2,0,0]=4 727 B5R1.1 C1=CSC=C1 CNP0604134.0 [1,0,0,0,1,0|1,0,0]=3 728 B5R1.1 C1=CSC=N1 CNP0495876.0 [1,0,0,0,1,0|2,0,0]=4 729 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [1,0,0,0,1,0|2,0,0]=4 730 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,0,0,0,2|1,0,1]=4 731 B9R1.50 C[C@@H]1/C=C/C=C/C=C/C1 CNP0322489.1 [0,0,0,0,0,2|1,0,1]=4 732 B9R1.50 C[C@@H]1/C=C\C=C/C=C\C1 CNP0322489.2 [0,0,0,0,0,2|1,0,1]=4