0 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,0,0,0|1,0,3]=4 8 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,0,0,0|0,0,4]=4 9 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 CC(=O)C1=CSCCN1 CNP0003045.0 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,0,0,0|0,0,4]=4 12 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,0,0|1,0,2]=3 17 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,0,0|1,0,2]=3 21 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,0,0|1,0,2]=3 23 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,0,0|3,1,0]=4 32 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,0,0|3,0,0]=3 39 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,0,0|2,0,0]=2 42 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,0,0|2,0,0]=2 44 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|0,0,1]=2 62 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|0,0,0]=1 83 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|1,0,2]=4 88 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|1,1,0]=3 89 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|1,1,1]=4 90 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|0,1,1]=3 91 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|1,1,1]=4 92 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|1,0,2]=4 93 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|1,0,2]=4 94 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|2,0,0]=3 95 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|0,0,0]=1 105 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,0|1,0,1]=3 106 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.13 CC(=O)C1=CNC(=O)CC1 CNP0234990.0 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,0,0|1,0,2]=4 118 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,0|1,0,1]=3 146 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,0|0,0,1]=2 150 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,1,0,0,0,0|2,0,1]=4 152 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,0|2,0,0]=3 163 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|1,0,2]=4 169 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,0|1,0,1]=3 171 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,0|1,0,1]=3 172 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,1,0,0,0,0|2,0,1]=4 173 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,1,0,0,0,0|2,0,1]=4 178 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|1,0,2]=4 180 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|1,0,2]=4 181 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|1,0,0]=2 186 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,0|1,0,1]=3 190 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|1,0,2]=4 193 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|1,0,2]=4 194 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|1,0,2]=4 195 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,1,0,0,0,0|2,0,1]=4 197 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,1,0,0,0,0|1,0,2]=4 198 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,0,0|1,0,0]=2 209 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,0,0|2,0,1]=4 210 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,0,0|1,1,1]=4 211 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,1,0,0,0,0|1,0,2]=4 219 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,1,0,0,0,0|1,0,2]=4 220 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,0,0|1,0,1]=3 234 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,0|0,0,0]=1 248 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,0|0,0,0]=1 251 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,0,0|1,0,0]=2 254 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,1,0,0,0,0|1,0,2]=4 256 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,0,0|3,0,0]=4 257 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,0|2,0,0]=3 258 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,0|2,0,0]=3 259 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,1,0,0,0,0|2,0,1]=4 261 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.113 CC1=CC=CC(=N1)C(Br)Br CNP0382790.0 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,1,0,0,0,0|3,0,0]=4 267 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,1,0,0,0,0|3,0,0]=4 268 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,1,0,0,0,0|1,0,2]=4 269 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,0,0|3,0,0]=4 270 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,0,0|3,0,0]=4 271 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,0|3,0,0]=4 273 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,0,0|3,0,0]=4 274 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,0,0|3,0,0]=4 275 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,0|2,0,0]=3 276 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,1,0,0,0,0|3,0,0]=4 280 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,0,0|3,0,0]=4 281 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,1,0,0,0,0|3,0,0]=4 283 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,1,0,0,0,0|2,0,1]=4 285 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,1,0,0,0,0|2,0,1]=4 286 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,0|2,0,0]=3 287 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,0|2,0,0]=3 289 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,0|2,0,0]=3 290 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,0,0|3,0,0]=4 292 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,0|3,0,0]=4 293 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,0,1,0,0,0|1,0,2]=4 294 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,0,1,0,0,0|2,0,0]=3 295 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,0,1,0,0,0|1,0,1]=3 296 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,0,1,0,0,0|1,0,1]=3 297 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,0,1,0,0,0|2,0,1]=4 298 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,0,1,0,0,0|1,0,2]=4 299 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,0,1,0,0,0|1,0,2]=4 300 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,0,1,0,0,0|2,0,1]=4 301 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,0,1,0,0,0|3,0,0]=4 302 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|1,0,2]=4 303 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|1,0,2]=4 304 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|2,0,1]=4 305 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|2,0,1]=4 306 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|2,0,1]=4 307 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|2,0,1]=4 308 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|2,0,1]=4 309 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|2,0,1]=4 310 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|1,0,0]=2 311 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|1,0,2]=4 312 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|1,0,2]=4 313 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,1,0|1,0,0]=2 314 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,1,0|0,0,1]=2 315 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,1,0|1,0,0]=2 316 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,1,0|1,0,0]=2 317 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,1,0|1,0,0]=2 318 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,1,0|1,0,0]=2 319 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,1,0|1,0,0]=2 320 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,0,1,0|0,0,3]=4 321 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [0,0,0,0,1,0|1,0,2]=4 322 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,0,1,0|1,0,2]=4 323 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,1,0|1,0,0]=2 324 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,0,1,0|1,0,2]=4 325 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,0,0,1,0|2,0,1]=4 327 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,0,0,0,1,0|2,0,1]=4 328 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,1,0|1,0,2]=4 329 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,1,0|1,0,2]=4 330 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,0,0,1,0|1,1,1]=4 331 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,0,0,0,1,0|3,0,0]=4 332 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,0,0,0,1,0|3,0,0]=4 333 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,1,0|1,0,1]=3 334 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,1,0|2,0,0]=3 335 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,0,1,0|2,0,1]=4 336 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,0,1,0|2,0,0]=3 338 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,1,0|2,0,0]=3 339 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,1,0|1,0,1]=3 340 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,1,0|2,0,0]=3 341 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,0,1,0|2,0,1]=4 342 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,1,0|2,0,0]=3 343 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,1,0|2,0,0]=3 345 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,0,1,0|3,0,0]=4 346 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,1,0|2,0,0]=3 347 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,0,1,0|3,0,0]=4 349 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,0,1,0|2,0,0]=3 350 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,0,1,0|3,0,0]=4 351 B8R1.7 O=[N+]([O-])C1=NC=CN1 CNP0566258.0 [0,0,0,0,1,0|3,0,0]=4 352 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,0,1|3,0,0]=4 353 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,0,1|2,0,0]=3 354 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,0,1|2,0,0]=3 355 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,0,0,0,1|2,0,1]=4 356 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,1|2,0,0]=3 357 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,1|1,0,0]=2 358 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,1|1,0,0]=2 360 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,1|2,0,0]=3 361 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,1|1,0,1]=3 362 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,1|1,1,0]=3 363 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,1|2,0,1]=4 364 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,0,1|1,0,1]=3 365 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,0,0,0,0,1|2,0,1]=4 366 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,0,1|2,0,1]=4 367 B10R1.18 CC(C)NC1=NC=CC=N1 CNP0044861.0 [0,0,0,0,0,1|2,0,1]=4 368 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,1|3,0,0]=4 369 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,1|2,0,1]=4 370 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,1|2,0,1]=4 371 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,1|2,0,1]=4 372 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,1|2,0,1]=4 373 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,1|3,0,0]=4 374 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,0,1|2,1,0]=4 375 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,1|2,0,0]=3 376 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,0,1|3,0,0]=4 377 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,1|2,0,0]=3 378 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,1|1,1,0]=3 379 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,0,1|2,1,0]=4 380 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,1|2,0,0]=3 381 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,1|2,0,0]=3 382 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,1|2,0,0]=3 383 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,1|3,0,0]=4 384 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,1|2,0,0]=3 385 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|1,0,1]=4 386 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,0]=3 387 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,0]=3 388 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|1,0,1]=4 389 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,0,0]=3 390 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,1]=4 391 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|1,0,1]=4 392 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|0,0,1]=3 393 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|1,0,1]=4 394 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,1,0,0,0|2,0,0]=4 395 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,1,0,0,0|1,0,1]=4 396 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|2,0,0]=4 397 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|1,0,0]=3 398 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|1,0,0]=3 399 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|0,0,0]=2 400 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|1,0,1]=4 401 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|2,0,0]=4 402 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|2,0,0]=4 403 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|1,0,0]=3 404 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|1,0,1]=4 405 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|1,0,0]=3 406 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 407 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 408 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|2,0,0]=4 410 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|2,0,0]=4 411 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [2,0,0,0,0,0|2,0,0]=4 412 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|2,0,0]=4 413 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|1,0,0]=3 414 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [2,0,0,0,0,0|2,0,0]=4 415 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|1,0,0]=3 416 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|0,0,1]=3 417 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,0]=3 418 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [2,0,0,0,0,0|1,0,1]=4 419 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|2,0,0]=4 420 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|2,0,0]=4 421 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|1,0,1]=4 422 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|1,0,1]=4 423 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|0,0,1]=3 424 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|1,1,0]=4 425 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|0,1,0]=3 426 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|2,0,0]=4 427 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,1,1,0,0,0|2,0,0]=4 428 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,1,1,0,0,0|1,0,1]=4 429 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,1,1,0,0,0|2,0,0]=4 430 B9R0.2 C=CC=CCCC=C(C)C CNP0185816.0 [0,1,1,0,0,0|2,0,0]=4 431 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,1,1,0,0,0|2,0,0]=4 432 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,1,1,0,0,0|1,0,1]=4 433 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,1,0,0,0|1,0,1]=4 434 B9R0.47 C=CC=CCC(=C(C)C)C CNP0608385.0 [0,1,1,0,0,0|2,0,0]=4 435 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,1,1,0,0,0|2,0,0]=4 436 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,1,1,0,0,0|2,0,0]=4 437 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,1,1,0,0,0|2,0,0]=4 438 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|1,0,1]=4 447 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|0,0,1]=3 449 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|0,0,2]=4 463 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|1,0,1]=4 464 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|1,0,0]=3 469 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|0,0,1]=3 470 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|0,0,1]=3 473 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|1,0,1]=4 474 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [1,1,0,0,0,0|2,0,0]=4 481 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,0]=3 484 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|1,0,1]=4 487 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|1,0,1]=4 488 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|2,0,0]=4 490 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.8 CC=CC1CC=CC=N1 CNP0077182.0 [1,1,0,0,0,0|0,0,2]=4 492 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|0,0,1]=3 494 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,1,0,0,0,0|1,0,1]=4 495 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|1,0,1]=4 496 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|1,0,1]=4 497 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|1,0,1]=4 499 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|1,0,1]=4 500 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|1,0,0]=3 502 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [1,1,0,0,0,0|2,0,0]=4 503 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,1,0,0,0,0|1,0,0]=3 507 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|1,0,0]=3 509 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|1,0,0]=3 517 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|2,0,0]=4 518 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,1]=4 523 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|0,0,1]=3 525 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,1,0,0,0,0|1,0,1]=4 526 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|2,0,0]=4 527 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|2,0,0]=4 528 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|2,0,0]=4 529 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|1,0,0]=3 530 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 531 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|1,0,0]=3 534 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|1,0,0]=3 537 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,0,1,0|0,0,2]=4 539 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,0,1,0|1,0,1]=4 540 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,1,0|0,0,1]=3 541 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,1,0|1,0,0]=3 542 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,1,0|1,0,0]=3 543 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,1,0,0,1,0|1,0,0]=3 544 B9R1.11 CCC(=O)N1C=CN=C1 CNP0053427.0 [0,1,0,0,1,0|2,0,0]=4 545 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,0,1,0|0,0,1]=3 546 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,0,1,0|1,0,0]=3 547 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,1,0,0,1,0|1,0,0]=3 548 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,1,0,0,1,0|1,0,0]=3 550 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,1,0,0,1,0|2,0,0]=4 551 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,0,1,0|1,0,0]=3 552 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,0,1,0|2,0,0]=4 553 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,0,1,0|1,0,0]=3 554 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,1,0|1,0,0]=3 555 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,1,0|1,0,0]=3 556 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,1,0|1,0,0]=3 557 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,1,0|1,0,0]=3 558 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,0,1,0|2,0,0]=4 559 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,0,1,0|1,0,0]=3 560 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,0,1,0|2,0,0]=4 561 B9R1.35 CC1=CC(=NO1)C(=O)N CNP0222722.0 [0,1,0,0,1,0|2,0,0]=4 562 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,0,1,0|2,0,0]=4 563 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,1,0|2,0,0]=4 564 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,0,1,0|2,0,0]=4 565 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,1,0|1,0,1]=4 566 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,1,0|2,0,0]=4 567 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,1,0,0,1,0|2,0,0]=4 568 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,1,0|1,0,1]=4 569 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,1,0|1,0,1]=4 570 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,1,0|2,0,0]=4 571 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,1,0|1,0,1]=4 572 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,1,0|1,0,1]=4 573 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,1,0|1,0,1]=4 574 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,1,0|2,0,0]=4 575 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,0,1,0|2,0,0]=4 576 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,1,0|1,0,0]=3 577 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,1,0|1,0,0]=3 578 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,0,1,0|1,0,0]=3 579 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,1,0|1,0,0]=3 580 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,0,1,0|0,0,1]=3 581 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,0,1,0|1,0,0]=3 582 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,0,1,0|2,0,0]=4 583 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,0,1,0|1,0,1]=4 584 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,0,1,0|2,0,0]=4 585 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,0,1,0|2,0,0]=4 586 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,1,0,0,1,0|2,0,0]=4 587 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,1,0,0,1,0|2,0,0]=4 588 B9R1.41 NC(=O)C1=C(NC=N1)N CNP0545145.0 [0,1,0,0,1,0|2,0,0]=4 589 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,1|2,0,0]=4 591 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,1|0,0,0]=2 597 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,1|1,0,0]=3 598 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,1|2,0,0]=4 601 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,0,1|2,0,0]=4 602 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,0,1|2,0,0]=4 607 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,1|2,0,0]=4 608 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,1|2,0,0]=4 609 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.36 CC(C)C(=O)C1=CC=CC=N1 CNP0492975.0 [0,1,0,0,0,1|1,0,1]=4 611 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,1|2,0,0]=4 613 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,0,1|2,0,0]=4 614 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,1|2,0,0]=4 615 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,1|2,0,0]=4 616 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [0,1,0,0,0,1|1,0,0]=3 624 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [0,1,0,0,0,1|1,0,0]=3 625 B11R1.40 CCC(=O)NC1=CC=CC=C1 CNP0215971.0 [0,1,0,0,0,1|1,0,0]=3 626 B11R1.40 CCC(=O)OC1=CC=CC=C1 CNP0392371.0 [0,1,0,0,0,1|1,0,0]=3 627 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [0,1,0,0,0,1|1,0,0]=3 629 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [0,1,0,0,0,1|1,0,0]=3 630 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,1|1,1,0]=4 631 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [0,1,0,0,0,1|1,0,1]=4 632 B11R1.40 N#CC(=O)CC1=CC=CC=C1 CNP0017972.0 [0,1,0,0,0,1|1,0,1]=4 633 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,1|1,0,0]=3 637 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,0,1|2,0,0]=4 639 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,0,1|2,0,0]=4 640 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,1|1,0,0]=3 641 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,1|1,0,0]=3 643 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,0,1|2,0,0]=4 647 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,0,1|2,0,0]=4 648 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.157 CC(=CC1=CC(=CC=N1)C)C CNP0513587.0 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,1|1,0,0]=3 654 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,1|1,0,0]=3 655 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,1|0,0,0]=2 656 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,1|1,0,0]=3 657 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,0,1|2,0,0]=4 659 B11R1.157 CC1=CC=CC(=N1)NC(=S)N CNP0391288.0 [0,1,0,0,0,1|1,1,0]=4 660 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,0,1|2,0,0]=4 661 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,1|2,0,0]=4 662 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,2,0,0,0,0|2,0,0]=4 665 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|1,0,0]=3 666 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,2,0,0,0,0|2,0,0]=4 667 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.3 CCC1=CN=C(C=N1)C(=O)C CNP0280983.0 [0,2,0,0,0,0|1,0,0]=3 669 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,2,0,0,0,0|2,0,0]=4 671 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,2,0,0,0,0|2,0,0]=4 673 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,2,0,0,0,0|2,0,0]=4 674 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.3 COC1=CN=C(C=N1)C(=O)C CNP0256640.0 [0,2,0,0,0,0|1,0,0]=3 676 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.3 NNC1=CC=C(N=N1)C(=O)N CNP0496492.0 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,2,0,0,0,0|2,0,0]=4 680 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,2,0,0,0,0|2,0,0]=4 682 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,2,0,0,0,0|2,0,0]=4 688 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,2,0,0,0,0|1,0,0]=3 693 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,2,0,0,0,0|2,0,0]=4 695 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|2,0,0]=4 696 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,2,0,0,0,0|2,0,0]=4 705 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|1,0,0]=3 721 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|1,0,0]=3 727 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|1,0,0]=3 728 B11R1.166 CC(=O)C1=CC=C(OC1O)C CNP0457804.0 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,2,0,0,0,0|1,0,0]=3 730 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.220 CC(=O)C1(C=CC(=CC1)O)O CNP0554269.0 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|1,1,0]=4 749 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,2,0,0,0,0|1,0,0]=3 750 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,2,0,0,0,0|0,0,0]=2 751 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|1,0,0]=3 754 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,2,0,0,0,0|1,0,0]=3 756 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,2,0,0,0,0|1,0,1]=4 757 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,2,0,0,0,0|0,0,1]=3 761 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,2,0,0,0,0|0,0,1]=3 762 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,2,0,0,0,0|1,0,1]=4 771 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|1,0,0]=3 772 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,2,0,0,0,0|2,0,0]=4 776 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,2,0,0,0,0|2,0,0]=4 778 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,2,0,0,0,0|2,0,0]=4 779 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,2,0,0,0,0|1,0,0]=3 780 B11R1.87 CC(C)(C)C1=NC=CC=C1O CNP0517568.0 [0,2,0,0,0,0|1,0,1]=4 781 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,2,0,0,0,0|2,0,0]=4 787 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,2,0,0,0,0|2,0,0]=4 788 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,2,0,0,0,0|2,0,0]=4 789 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [0,2,0,0,0,0|2,0,0]=4 790 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,2,0,0,0,0|2,0,0]=4 794 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,2,0,0,0,0|2,0,0]=4 795 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|1,0,0]=3 796 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,2,0,0,0,0|2,0,0]=4 800 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,2,0,0,0,0|2,0,0]=4 801 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [0,2,0,0,0,0|2,0,0]=4 802 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,2,0,0,0,0|2,0,0]=4 807 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,2,0,0,0,0|2,0,0]=4 808 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,2,0,0,0,0|2,0,0]=4 809 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,2,0,0,0,0|2,0,0]=4 810 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,2,0,0,0,0|2,0,0]=4 812 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,2,0,0,0,0|2,0,0]=4 813 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,2,0,0,0,0|2,0,0]=4 815 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,2,0,0,0,0|2,0,0]=4 816 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,2,0,0,0,0|1,0,0]=3 817 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,2,0,0,0,0|2,0,0]=4 818 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|1,0,0]=3 819 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|1,0,0]=3 820 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,2,0,0,0,0|2,0,0]=4 823 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,2,0,0,0,0|2,0,0]=4 825 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,2,0,0,0,0|2,0,0]=4 826 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,2,0,0,0,0|2,0,0]=4 827 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,2,0,0,0,0|2,0,0]=4 828 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,2,0,0,0,0|1,0,0]=3 830 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,2,0,0,0,0|2,0,0]=4 831 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,2,0,0,0,0|2,0,0]=4 832 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,2,0,0,0,0|2,0,0]=4 833 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,2,0,0,0,0|2,0,0]=4 834 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,2,0,0,0,0|2,0,0]=4 835 B11R1.74 CC1=CC(=CC(=N1)N(C)C)N CNP0535941.0 [0,2,0,0,0,0|2,0,0]=4 836 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,2,0,0,0,0|2,0,0]=4 839 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [0,2,0,0,0,0|2,0,0]=4 840 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [0,2,0,0,0,0|2,0,0]=4 841 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,2,0,0,0,0|1,0,0]=3 842 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,2,0,0,0,0|1,0,0]=3 843 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [0,2,0,0,0,0|1,0,0]=3 844 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,2,0,0,0,0|2,0,0]=4 846 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,2,0,0,0,0|2,0,0]=4 847 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,2,0,0,0,0|2,0,0]=4 848 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,2,0,0,0,0|2,0,0]=4 850 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,1,1,0,0|1,0,1]=4 851 B9R1.13 CC(=O)NC1=NC=CS1 CNP0054817.0 [0,0,1,1,0,0|2,0,0]=4 852 B9R1.13 CC(=O)NC1=NNC=C1 CNP0230807.0 [0,0,1,1,0,0|2,0,0]=4 853 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,1,1,0,0|2,0,0]=4 854 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,1,1,0,0|1,0,1]=4 855 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,1]=4 856 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|1,0,1]=4 857 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,0,1|2,0,0]=4 858 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,0,1|1,0,1]=4 859 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,0,1|1,1,0]=4 860 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,0,1|1,0,1]=4 861 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,0,1|1,1,0]=4 862 B11R2.10 CC1=NC2=CC=NN=C2O1 CNP0278179.0 [0,0,0,1,0,1|2,0,0]=4 863 B11R2.10 CC1=NC2=CN=CN=C2O1 CNP0180716.0 [0,0,0,1,0,1|2,0,0]=4 864 B11R2.10 CC1=NC2=COC=NC2=N1 CNP0127260.0 [0,0,0,1,0,1|2,0,0]=4 865 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,0,0,1,0,1|1,0,1]=4 866 B11R2.10 CC1=NC2=NC=COC2=N1 CNP0145883.0 [0,0,0,1,0,1|2,0,0]=4 867 B11R2.10 CC1=NC2=NC=NC=C2O1 CNP0001304.0 [0,0,0,1,0,1|1,0,1]=4 868 B11R2.10 CC1=NC2=NN=CC=C2O1 CNP0125142.0 [0,0,0,1,0,1|1,0,1]=4 869 B11R2.10 CC1=NC2=NOC=CC2=N1 CNP0372558.0 [0,0,0,1,0,1|2,0,0]=4 870 B11R2.10 NC1=NC2=CC=CN=C2O1 CNP0001317.0 [0,0,0,1,0,1|2,0,0]=4 871 B11R2.10 NC1=NC2=NC=CC=C2O1 CNP0095068.0 [0,0,0,1,0,1|1,0,1]=4 872 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,0,1|1,0,1]=4 873 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,0,1|2,0,0]=4 874 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,1|1,0,0]=3 875 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,1|1,0,0]=3 876 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,0,1|2,0,0]=4 877 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,0,1|2,0,0]=4 878 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,0,0,1,0,1|1,0,0]=3 879 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,0,1|1,0,1]=4 880 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|1,0,0]=3 881 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,1,0,1,0,0|1,0,1]=4 882 B11R2.1 CC1=C2N=CN=CC2=NO1 CNP0000960.0 [0,1,0,1,0,0|1,0,1]=4 883 B11R2.1 CC1=C2N=COC=C2N=N1 CNP0015629.0 [0,1,0,1,0,0|2,0,0]=4 884 B11R2.1 CC1=C2N=NC=CC2=NO1 CNP0097244.0 [0,1,0,1,0,0|1,0,1]=4 885 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|2,0,0]=4 886 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,1,0,1,0,0|2,0,0]=4 887 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,1,0,1,0,0|1,0,0]=3 888 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,1,0,1,0,0|1,1,0]=4 889 B11R2.1 CC1=NN=C2C1=NC=CO2 CNP0004591.0 [0,1,0,1,0,0|2,0,0]=4 890 B11R2.1 CC1=NN=C2C1=NOC=C2 CNP0147679.0 [0,1,0,1,0,0|2,0,0]=4 891 B11R2.1 CC1=NOC2=CC=NN=C12 CNP0280738.0 [0,1,0,1,0,0|1,0,1]=4 892 B11R2.1 CC1=NOC2=CN=CN=C12 CNP0000856.0 [0,1,0,1,0,0|1,0,1]=4 893 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,1,0,1,0,0|1,0,1]=4 894 B11R2.1 CN1N=CC2=CC=CN=C12 CNP0063093.0 [0,1,0,1,0,0|2,0,0]=4 895 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,1,0,1,0,0|1,0,1]=4 896 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,1,0,1,0,0|1,0,1]=4 897 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,1,0,1,0,0|2,0,0]=4 898 B11R2.1 NC1=NOC2=CC=CN=C12 CNP0053623.0 [0,1,0,1,0,0|1,0,1]=4 899 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,1,0,1,0,0|2,0,0]=4 900 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,1,0,1,0,0|1,0,1]=4 901 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|1,0,0]=3 902 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|1,0,0]=3 903 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|1,0,0]=3 904 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,1,0,1,0,0|1,0,1]=4 905 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|1,0,0]=3 906 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,1,0,1,0,0|1,0,0]=3 907 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,1,0,1,0,0|2,0,0]=4 908 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|1,0,0]=3 909 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,1,0,1,0,0|1,0,1]=4 910 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,1,0,1,0,0|1,0,1]=4 911 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|1,0,0]=3 912 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|1,0,0]=3 913 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,1,0,0|1,0,1]=4 914 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|1,0,0]=3 915 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|1,0,0]=3 916 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|1,0,0]=3 917 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,1,0|1,0,1]=4 919 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,1,0|1,0,1]=4 920 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,1]=4 921 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,1]=4 922 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,1]=4 923 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,1]=4 924 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|1,0,1]=4 925 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|1,0,1]=4 926 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|1,0,1]=4 927 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 928 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|1,0,1]=4 929 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 930 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,1,0|0,0,1]=3 931 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,1,0|1,0,0]=3 932 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,1,0|1,0,0]=3 933 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,1,0|1,0,0]=3 934 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,1,0|1,0,0]=3 935 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,1,0|1,0,0]=3 936 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,2|2,0,0]=4 937 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,2|1,0,0]=3 938 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,2|1,0,0]=3 939 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,2|1,0,0]=3 940 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,2|1,0,0]=3 941 B11R1.91 C[C@@H](O)C#CC1=CC=CC=N1 CNP0483155.1 [0,0,0,0,0,2|0,0,2]=4 942 B11R1.91 C[C@H](O)C#CC1=CC=CC=N1 CNP0483155.2 [0,0,0,0,0,2|0,0,2]=4 943 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,2|2,0,0]=4 944 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,2|2,0,0]=4 945 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,2|2,0,0]=4 946 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,2|2,0,0]=4 947 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,2|2,0,0]=4 948 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,2|2,0,0]=4 949 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,2|2,0,0]=4 950 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,2|2,0,0]=4 951 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,2|2,0,0]=4 952 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,2|2,0,0]=4 953 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,2|2,0,0]=4 954 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,2|2,0,0]=4 955 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,2|2,0,0]=4