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|4,0,0]=4 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|2,0,0]=2 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=CN=CC=N1 CNP0114026.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,0,0|1,0,1]=2 15 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,0,0|0,0,0]=0 30 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,0,0,0|0,0,4]=4 34 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,0,0,0|1,0,3]=4 35 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,0,0,0,0,0|1,0,3]=4 36 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [0,0,0,0,0,0|1,0,2]=3 40 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,0,0,0,0|1,0,3]=4 41 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,0,0,0,0|1,0,3]=4 42 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,0,0,0,0|0,0,4]=4 43 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,0,0|0,1,0]=1 44 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,0,0|0,0,1]=1 45 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,0,0|0,0,1]=1 46 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,0,0|0,0,1]=1 47 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,0,0|1,0,1]=2 48 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,0,0|1,0,1]=2 49 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,0,0|1,0,0]=1 50 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,0,0|1,0,1]=2 51 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,0,0|1,0,0]=1 53 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,0,0|1,0,0]=1 54 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,0,0|1,0,1]=2 55 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|2,0,1]=4 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|3,0,0]=4 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 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|1,0,1]=3 72 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,1]=4 78 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|0,0,0]=1 81 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,0|0,0,2]=3 83 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|1,0,0]=2 84 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|0,0,1]=2 87 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,0,0,0|0,0,3]=4 88 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|1,0,1]=3 89 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|1,0,1]=3 90 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|0,1,0]=2 91 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|0,1,1]=3 92 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|1,1,1]=4 93 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|1,1,1]=4 94 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|0,0,1]=2 95 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|1,0,1]=3 96 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|1,0,0]=2 103 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.13 CC(=O)C1=CC=C(CC1)C CNP0164378.0 [0,1,0,0,0,0|1,0,2]=4 105 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,0,0|1,0,1]=3 116 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,0,0|1,0,1]=3 117 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,0,0|1,0,1]=3 119 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|0,0,1]=2 128 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|0,0,1]=2 129 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|0,0,0]=1 131 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|0,0,0]=1 132 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|0,0,0]=1 134 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|0,1,0]=2 139 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|0,0,1]=2 140 B10R1.13 O=C1CC=C(C=N1)C(=O)O CNP0253562.0 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.15 C#CC(=O)C1=CC=CC=C1 CNP0026110.0 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.15 C=C(C=O)C1=CC=CC=C1 CNP0395069.0 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.15 C=CC(=C)C1=CC=CC=C1 CNP0518579.0 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.15 C=CC(=O)C1=CC=CC=C1 CNP0085771.0 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [0,1,0,0,0,0|1,0,1]=3 148 B10R1.15 C=C[S@+]([O-])C1=CC=CC=C1 CNP0518074.1 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.15 C=C[S@H+]([O-])C1=CC=CC=C1 CNP0479535.1 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.15 CC(=NO)C1=CC=CC=C1 CNP0218225.0 [0,1,0,0,0,0|1,0,0]=2 151 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.15 CN(C=O)C1=CC=CC=C1 CNP0026033.0 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [0,1,0,0,0,0|2,0,0]=3 164 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [0,1,0,0,0,0|0,0,0]=1 166 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,0|0,1,0]=2 171 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [0,1,0,0,0,0|2,0,1]=4 172 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [0,1,0,0,0,0|2,0,1]=4 174 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.15 N#CC(=O)C1=CC=CC=C1 CNP0308967.0 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.15 NC(=NO)C1=CC=CC=C1 CNP0049137.0 [0,1,0,0,0,0|1,0,0]=2 179 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [0,1,0,0,0,0|1,0,1]=3 181 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [0,1,0,0,0,0|1,0,1]=3 182 B10R1.15 NNC(=O)C1=CC=CC=C1 CNP0576891.0 [0,1,0,0,0,0|1,0,0]=2 183 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.15 NNC(=O)C1=CC=NC=C1 CNP0295499.0 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [0,1,0,0,0,0|0,0,0]=1 188 B10R1.15 O=C(NO)C1=CC=CC=C1 CNP0395264.0 [0,1,0,0,0,0|0,0,0]=1 189 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.15 O=CC(=O)C1=CC=CC=C1 CNP0256547.0 [0,1,0,0,0,0|0,0,1]=2 191 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [0,1,0,0,0,0|0,0,1]=2 192 B10R1.15 OC=C(O)C1=CC=CC=C1 CNP0119701.0 [0,1,0,0,0,0|0,0,1]=2 193 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [0,1,0,0,0,0|0,0,2]=3 194 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [0,1,0,0,0,0|0,0,2]=3 195 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.28 CC(C)(C)C1=CC=CC=C1 CNP0125248.0 [0,1,0,0,0,0|2,0,1]=4 198 B10R1.28 CC(C)(O)C1=CC=CC=C1 CNP0423296.0 [0,1,0,0,0,0|1,0,1]=3 199 B10R1.28 C[N+](C)([O-])C1=CC=CC=C1 CNP0569475.0 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 CNP0601518.0 [0,1,0,0,0,0|1,0,1]=3 201 B10R1.28 O=[As](O)(O)C1=CC=CC=C1 CNP0364175.0 [0,1,0,0,0,0|1,0,0]=2 202 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,0|1,0,0]=2 205 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,0|1,0,0]=2 206 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,0,0|1,1,1]=4 212 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,0|0,0,0]=1 214 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,1,0,0,0,0|1,0,1]=3 220 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.61 NC(=O)C1=CNC=CC1=O CNP0612033.0 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.61 NC(=O)C1C=NC=CC1=O CNP0547525.0 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,0|0,0,0]=1 229 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,0|0,0,0]=1 231 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,0|0,0,0]=1 232 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,0|0,0,0]=1 233 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,0|0,0,0]=1 234 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,0|0,0,0]=1 235 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,1,0,0,0,0|1,0,0]=2 236 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,1,0,0,0,0|1,0,0]=2 237 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,1,0,0,0,0|1,0,0]=2 240 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,0|0,0,1]=2 242 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,0|0,0,1]=2 243 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,0|0,0,1]=2 244 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,0|0,0,1]=2 245 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,1,0,0,0,0|1,0,1]=3 246 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,1,0,0,0,0|2,0,0]=3 250 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,1,0,0,0,0|1,0,0]=2 251 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,1,0,0,0,0|1,0,0]=2 252 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,1,0,0,0,0|3,0,0]=4 255 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [0,1,0,0,0,0|3,0,0]=4 256 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,1,0,0,0,0|1,0,1]=3 258 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,1,0,0,0,0|1,0,0]=2 259 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,1,0,0,0,0|1,0,0]=2 260 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,1,0,0,0,0|1,0,0]=2 261 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,1,0,0,0,0|0,0,0]=1 262 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,1,0,0,0,0|1,0,1]=3 264 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,1,0,0,0,0|3,0,0]=4 265 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [0,1,0,0,0,0|1,0,0]=2 266 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|1,0,1]=3 268 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [0,1,0,0,0,0|1,0,1]=3 269 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,1,0,0,0,0|1,0,1]=3 270 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [0,1,0,0,0,0|2,0,0]=3 271 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [0,1,0,0,0,0|2,0,0]=3 272 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [0,1,0,0,0,0|1,0,0]=2 273 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [0,1,0,0,0,0|1,0,0]=2 274 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.113 C[N+]1=CC=CC(=C1)[N+](=O)[O-] CNP0526184.0 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.113 N=C1C=CC[C@@H](N1)C(=O)O CNP0181839.1 [0,1,0,0,0,0|1,0,2]=4 278 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.113 NC(=O)C1=CC=C[N+](=C1)[O-] CNP0508767.0 [0,1,0,0,0,0|2,0,0]=3 283 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.113 NC1=CC=CC(=C1)B(O)O CNP0479159.0 [0,1,0,0,0,0|1,0,1]=3 285 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [0,1,0,0,0,0|0,0,0]=1 286 B10R1.113 NC1=CC=CC(=C1)[N+](=O)[O-] CNP0574552.0 [0,1,0,0,0,0|1,0,1]=3 287 B10R1.113 NC1=NC=CC(=N1)C(=O)O CNP0302261.0 [0,1,0,0,0,0|2,0,0]=3 288 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,1,0,0,0,0|0,0,2]=3 289 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,1,0,0,0,0|0,0,2]=3 290 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [0,1,0,0,0,0|1,0,0]=2 291 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [0,1,0,0,0,0|0,0,0]=1 292 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [0,1,0,0,0,0|0,0,0]=1 293 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [0,1,0,0,0,0|0,0,0]=1 294 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,1,0,0,0,0|0,0,2]=3 295 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,0,1,0,0,0|1,0,2]=4 298 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,0,1,0,0,0|2,0,1]=4 299 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,0,1,0,0,0|1,0,2]=4 300 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,0,1,0,0,0|1,0,2]=4 301 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,0,1,0,0,0|0,0,2]=3 302 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,0,1,0,0,0|1,0,1]=3 303 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,0,1,0,0,0|1,0,1]=3 304 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,0,1,0,0,0|0,0,2]=3 305 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,0,1,0,0,0|1,0,2]=4 306 B8R0.15 C=CC(=CC=O)C(=O)O CNP0182283.0 [0,0,1,0,0,0|1,0,0]=2 307 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,0|1,0,1]=3 308 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,0|1,0,1]=3 309 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|2,0,1]=4 310 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|2,0,1]=4 311 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|2,0,1]=4 312 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|2,0,1]=4 313 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|2,0,1]=4 314 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|2,0,1]=4 315 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|1,0,0]=2 316 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|1,0,1]=3 317 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|1,0,1]=3 318 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,0,1,0|2,0,0]=3 319 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,0,1,0|2,0,0]=3 320 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,0,1,0|2,0,0]=3 321 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,0,1,0|2,0,0]=3 322 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,0,1,0|2,0,0]=3 323 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,0,1,0|3,0,0]=4 324 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,0,1,0|2,0,0]=3 326 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [0,0,0,0,1,0|3,0,0]=4 327 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,0,1,0|2,0,1]=4 328 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,0,0,0,1,0|2,0,1]=4 329 B8R1.7 N=C(N)C1=CNC=C1 CNP0175119.0 [0,0,0,0,1,0|3,0,0]=4 330 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [0,0,0,0,1,0|3,0,0]=4 331 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,0,1,0|2,0,0]=3 332 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,0,1,0|2,0,0]=3 333 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,0,1,0|3,0,0]=4 334 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,0,1,0|3,0,0]=4 335 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,0,1,0|3,0,0]=4 336 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,0,1,0|2,0,0]=3 337 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,0,1,0|1,0,0]=2 338 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,0,1,0|1,0,0]=2 339 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,0,1,0|2,0,0]=3 340 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,0,1,0|1,0,0]=2 341 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,0,1,0|2,0,0]=3 342 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,0,1,0|1,0,0]=2 343 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,0,1,0|2,0,0]=3 344 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,0,1,0|1,0,0]=2 345 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,0,1,0|2,0,0]=3 346 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,0,1,0|3,0,0]=4 347 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,0,1,0|2,0,0]=3 348 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,0,1,0|1,0,2]=4 349 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,0,1,0|1,0,2]=4 350 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,0,1,0|0,0,3]=4 351 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,0,1,0|2,0,1]=4 352 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,0,1|2,0,0]=3 353 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(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,0,1|2,0,0]=3 356 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,0,1|1,0,0]=2 357 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,0,1|1,0,0]=2 358 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,0,1|1,0,0]=2 359 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,0,1|2,0,0]=3 360 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,0,1|2,0,1]=4 361 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,0,1|1,1,0]=3 362 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,0,1|2,0,1]=4 363 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,0,1|2,0,1]=4 364 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,0,1|3,0,0]=4 365 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,0,1|2,0,1]=4 366 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,0,1|2,0,1]=4 367 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,0,1|2,0,1]=4 368 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,0,1|2,0,1]=4 369 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,0,0,0,0,1|3,0,0]=4 370 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,0,1|2,0,0]=3 371 B10R1.18 N=C(N)NC1=CC=CN=C1 CNP0217944.0 [0,0,0,0,0,1|3,0,0]=4 372 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,0,1|1,1,0]=3 373 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,0,1|1,0,0]=2 374 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,0,1|2,0,0]=3 375 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,0,1|1,0,0]=2 376 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,0,1|2,1,0]=4 377 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,0,1|1,1,0]=3 378 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,0,1|1,0,0]=2 379 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,0,1|1,0,0]=2 380 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,0,1|0,0,0]=1 381 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,0,1|1,0,0]=2 382 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,0,1|1,0,0]=2 383 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|1,0,1]=4 384 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,1]=4 385 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,1]=4 386 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|0,0,2]=4 387 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,0,0]=3 388 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,1]=4 389 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|1,0,1]=4 390 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|0,0,1]=3 391 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,0,1,0,0,0|1,0,1]=4 392 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,1,0,0,0|1,0,0]=3 393 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,1,0,0,0|1,0,1]=4 394 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 395 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,1]=3 396 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,1]=3 397 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,1]=4 398 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,1]=4 399 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,1]=4 400 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,1]=4 401 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 402 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 403 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 404 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 405 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 406 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 407 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 408 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 409 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 410 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,1]=3 411 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,0]=3 412 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,0]=3 413 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [2,0,0,0,0,0|2,0,0]=4 414 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,0]=3 415 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,0]=3 416 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|2,0,0]=4 417 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 418 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 419 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 420 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 421 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 422 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 423 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|2,0,0]=4 424 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,1,1,0,0,0|0,0,0]=2 425 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,1,1,0,0,0|0,0,2]=4 426 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,1,1,0,0,0|0,0,2]=4 427 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,1,1,0,0,0|1,0,0]=3 428 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,1,1,0,0,0|1,0,0]=3 429 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|0,0,0]=2 433 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|0,0,1]=3 434 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|0,0,0]=2 449 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|0,0,1]=3 456 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|0,0,1]=3 457 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|1,0,1]=4 458 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 460 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|0,0,0]=2 461 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,1]=4 462 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|1,0,1]=4 465 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,1]=4 466 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|0,0,0]=2 474 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|0,0,0]=2 475 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|0,0,1]=3 476 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|0,0,1]=3 477 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|1,0,0]=3 478 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|1,0,0]=3 479 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|1,0,1]=4 484 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|1,0,1]=4 485 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|1,0,1]=4 486 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|0,0,1]=3 487 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|0,1,1]=4 488 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|1,1,0]=4 489 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,1,0,0,0,0|1,0,1]=4 490 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,1,0,0,0,0|1,0,1]=4 491 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,1,0,0,0,0|1,0,1]=4 492 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|1,0,1]=4 493 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,1,0,0,0,0|1,0,1]=4 494 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|0,0,0]=2 495 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|0,0,0]=2 496 B9R1.8 O=CNC1=NC=CC=N1 CNP0027071.0 [1,1,0,0,0,0|2,0,0]=4 497 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|0,0,0]=2 498 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|0,0,0]=2 499 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|0,0,1]=3 500 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|0,0,0]=2 501 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,1,0,0,0,0|0,0,1]=3 502 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,1,0,0,0,0|0,1,1]=4 503 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|0,1,1]=4 504 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|1,0,0]=3 505 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|1,0,0]=3 506 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|0,0,0]=2 508 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|0,0,1]=3 510 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,0,0]=3 511 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|2,0,0]=4 512 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,1]=4 516 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|2,0,0]=4 519 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|2,0,0]=4 520 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|2,0,0]=4 521 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|2,0,0]=4 522 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|0,0,0]=2 523 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|0,0,1]=3 524 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 526 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [1,1,0,0,0,0|1,0,1]=4 527 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|0,0,0]=2 528 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|0,0,0]=2 529 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|0,0,1]=3 530 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|0,1,1]=4 531 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,0,1,0|2,0,0]=4 533 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,0,1,0|2,0,0]=4 534 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,1,0|2,0,0]=4 535 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,1,0|2,0,0]=4 536 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,1,0|2,0,0]=4 537 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,0,1,0|1,0,0]=3 538 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,0,1,0|1,0,0]=3 539 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,1,0,0,1,0|1,0,0]=3 540 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,1,0,0,1,0|2,0,0]=4 541 B9R1.11 COC(=O)N1C=CN=C1 CNP0310678.0 [0,1,0,0,1,0|2,0,0]=4 542 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,0,1,0|1,1,0]=4 543 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,0,1,0|2,0,0]=4 544 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,0,1,0|1,0,0]=3 545 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,0,1,0|2,0,0]=4 546 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,0,1,0|2,0,0]=4 547 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,0,1,0|2,0,0]=4 548 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,0,1,0|2,0,0]=4 549 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,0,1,0|1,0,0]=3 550 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,0,1,0|2,0,0]=4 551 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,0,1,0|1,0,0]=3 552 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,0,1,0|2,0,0]=4 553 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,0,1,0|1,0,0]=3 554 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,0,1,0|1,0,0]=3 555 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,0,1,0|2,0,0]=4 556 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,0,1,0|2,0,0]=4 557 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,0,1,0|2,0,0]=4 558 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,0,1,0|2,0,0]=4 559 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,0,1,0|1,0,0]=3 560 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,1,0|1,0,0]=3 561 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,0,1,0|1,0,0]=3 562 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,1,0|1,0,0]=3 563 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,1,0,0,1,0|2,0,0]=4 564 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,1,0,0,1,0|1,0,1]=4 565 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,0,1,0|2,0,0]=4 566 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,0,1,0|0,0,0]=2 567 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,1,0|2,0,0]=4 568 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,0,1,0|2,0,0]=4 569 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,1,0|2,0,0]=4 570 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,0,1,0|2,0,0]=4 571 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,0,1,0|2,0,0]=4 572 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,0,1,0|1,0,0]=3 573 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,0,1,0|1,0,0]=3 574 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,1,0,0,1,0|2,0,0]=4 575 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,0,1,0|1,0,0]=3 576 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,0,1,0|1,0,0]=3 577 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,1,0,0,1,0|2,0,0]=4 578 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,1,0,0,1,0|2,0,0]=4 579 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,1,0,0,1,0|2,0,0]=4 580 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,0,1|1,0,0]=3 583 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,0,1|1,0,0]=3 584 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,0,1|1,0,0]=3 585 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,0,1|1,0,0]=3 586 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,0,1|1,0,0]=3 587 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,0,1|1,0,0]=3 589 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,0,1|1,0,0]=3 590 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,1,0,0,0,1|2,0,0]=4 592 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,1,0,0,0,1|1,1,0]=4 596 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,0,1|0,0,0]=2 597 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,0,1|0,0,0]=2 598 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,0,1|0,0,0]=2 599 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,0,1|0,0,0]=2 600 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,0,1|0,0,1]=3 601 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,0,1|0,0,1]=3 602 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,0,1|0,0,0]=2 605 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,0,1|1,0,1]=4 606 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,0,1|1,0,1]=4 607 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,0,1|0,0,0]=2 608 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,0,1|1,0,1]=4 609 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,0,1|1,0,1]=4 610 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,0,1|1,0,0]=3 611 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,0,1|1,0,0]=3 612 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,0,1|0,0,0]=2 615 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,0,1|1,0,0]=3 616 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,0,1|0,0,0]=2 617 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,0,1|0,0,2]=4 619 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,0,1|0,0,0]=2 621 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,0,1|0,0,0]=2 622 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,0,1|0,0,0]=2 623 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|0,0,0]=2 630 B11R1.40 COC(=S)NC1=CC=CC=C1 CNP0050030.0 [0,1,0,0,0,1|0,1,0]=3 631 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|1,0,0]=3 633 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [0,1,0,0,0,1|1,0,1]=4 634 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [0,1,0,0,0,1|1,0,1]=4 635 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [0,1,0,0,0,1|1,0,1]=4 636 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [0,1,0,0,0,1|1,0,1]=4 637 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [0,1,0,0,0,1|1,0,1]=4 638 B11R1.40 NNC(=O)NC1=CC=CC=C1 CNP0536638.0 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.40 NOC(=O)NC1=CC=CC=C1 CNP0579392.0 [0,1,0,0,0,1|0,0,0]=2 640 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [0,1,0,0,0,1|1,0,1]=4 641 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [0,1,0,0,0,1|1,0,1]=4 642 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [0,1,0,0,0,1|0,0,0]=2 643 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [0,1,0,0,0,1|0,0,0]=2 644 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [0,1,0,0,0,1|0,0,2]=4 646 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [0,1,0,0,0,1|0,0,2]=4 647 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [0,1,0,0,0,1|0,1,0]=3 648 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,0,1|2,0,0]=4 649 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,0,1|2,0,0]=4 650 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,1|1,0,0]=3 654 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,1|1,0,0]=3 655 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,1|1,0,0]=3 656 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,0,1|2,0,0]=4 657 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,0,1|1,0,0]=3 658 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,1|0,0,0]=2 659 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,1|0,0,0]=2 660 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,0,1|1,0,0]=3 661 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,0,1|1,0,0]=3 662 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,0,1|1,0,0]=3 663 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,0,1|2,0,0]=4 666 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,0,1|1,0,0]=3 667 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,0,1|1,0,0]=3 668 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,0,1|0,0,0]=2 669 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,0,1|0,0,0]=2 670 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,0,1|1,0,1]=4 671 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,0,1|1,0,1]=4 672 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,0,1|1,0,0]=3 673 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,0,1|1,0,0]=3 675 B11R1.852 COC(=O)C1=CC=CC=CO1 CNP0163197.0 [0,1,0,0,0,1|0,0,0]=2 676 B11R1.3 C#CC1=CC=C(C=C1)[N+](=O)[O-] CNP0576680.0 [0,2,0,0,0,0|1,0,1]=4 677 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,2,0,0,0,0|0,0,0]=2 679 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|1,0,0]=3 681 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,2,0,0,0,0|0,0,0]=2 683 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,2,0,0,0,0|1,0,1]=4 684 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,2,0,0,0,0|1,0,0]=3 685 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,2,0,0,0,0|0,0,0]=2 686 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,2,0,0,0,0|0,0,0]=2 690 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,2,0,0,0,0|1,0,1]=4 691 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,2,0,0,0,0|1,0,1]=4 692 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,2,0,0,0,0|2,0,0]=4 697 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,2,0,0,0,0|0,0,0]=2 699 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,2,0,0,0,0|1,0,0]=3 700 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,2,0,0,0,0|0,0,0]=2 701 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,2,0,0,0,0|0,0,0]=2 702 B11R1.3 O=C(O)C1=CN=C(C=N1)CO CNP0383390.0 [0,2,0,0,0,0|2,0,0]=4 703 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,2,0,0,0,0|0,0,0]=2 704 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [0,2,0,0,0,0|1,0,1]=4 705 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,2,0,0,0,0|0,0,0]=2 706 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,2,0,0,0,0|1,0,0]=3 707 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [0,2,0,0,0,0|1,0,1]=4 708 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)N CNP0170715.0 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O CNP0341593.0 [0,2,0,0,0,0|1,0,0]=3 710 B11R1.19 NC1=CC=C(C=C1)S(=O)(=O)O CNP0300837.0 [0,2,0,0,0,0|1,0,0]=3 711 B11R1.19 NC1=CC=C(C=C1)[As](=O)(O)O CNP0474348.0 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)[Hg] CNP0505241.0 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|1,0,0]=3 718 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|1,0,0]=3 719 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.21 CC(=O)C1=CC=C(C(=O)O1)C CNP0144436.0 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [0,2,0,0,0,0|1,0,1]=4 722 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [0,2,0,0,0,0|1,0,1]=4 723 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|0,0,0]=2 724 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|0,0,0]=2 726 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [0,2,0,0,0,0|1,0,1]=4 727 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|0,0,0]=2 728 B11R1.21 CC1=CN=C(C=[N+]1[O-])C(=O)O CNP0490875.0 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [0,2,0,0,0,0|1,0,0]=3 731 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.21 NC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0484931.0 [0,2,0,0,0,0|1,0,1]=4 734 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|0,0,0]=2 735 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|0,0,0]=2 736 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|0,0,0]=2 737 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|0,0,0]=2 739 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|0,0,0]=2 740 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|0,0,0]=2 741 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [0,2,0,0,0,0|0,0,2]=4 742 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [0,2,0,0,0,0|1,0,0]=3 743 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,2,0,0,0,0|1,0,1]=4 746 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,2,0,0,0,0|1,0,1]=4 747 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,2,0,0,0,0|1,0,0]=3 748 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,2,0,0,0,0|0,0,0]=2 749 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|1,0,1]=4 750 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [0,2,0,0,0,0|1,0,1]=4 751 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|1,0,0]=3 752 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|1,0,0]=3 753 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|1,0,0]=3 755 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|0,0,0]=2 756 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|0,0,0]=2 757 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|0,0,0]=2 758 B11R1.22 COC(=O)C1=COC(=O)C=C1 CNP0038303.0 [0,2,0,0,0,0|1,0,0]=3 759 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|1,0,1]=4 760 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,2,0,0,0,0|1,0,1]=4 761 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|1,0,1]=4 763 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|1,0,1]=4 764 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|0,0,0]=2 768 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,2,0,0,0,0|0,0,0]=2 769 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,2,0,0,0,0|0,0,1]=3 770 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|0,0,2]=4 771 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|0,0,2]=4 772 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|1,0,0]=3 778 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.166 CC1=CC(=CC=C1[N+](=O)[O-])N CNP0541671.0 [0,2,0,0,0,0|1,0,1]=4 780 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O CNP0491726.0 [0,2,0,0,0,0|1,0,0]=3 781 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|0,0,0]=2 783 B11R1.166 CC1=CC=C(C(=C1)N)[N+](=O)[O-] CNP0575477.0 [0,2,0,0,0,0|1,0,1]=4 784 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,2,0,0,0,0|1,0,0]=3 785 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,2,0,0,0,0|2,0,0]=4 786 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.166 NC1=CC(=CC=C1[N+](=O)[O-])Cl CNP0590572.0 [0,2,0,0,0,0|1,0,1]=4 789 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,2,0,0,0,0|0,0,0]=2 790 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,2,0,0,0,0|0,0,0]=2 791 B11R1.166 NC1=NC(=O)NC=C1C(=O)O CNP0343495.0 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.166 NC1=NC=C(C(=O)N1)C(=O)O CNP0397783.0 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,2,0,0,0,0|0,0,0]=2 795 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|0,0,0]=2 796 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.166 O=C(O)C1=CN=C(N=C1O)O CNP0502839.0 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.166 O=C(O)C1=CNC(=O)NC1=O CNP0610128.0 [0,2,0,0,0,0|2,0,0]=4 799 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,2,0,0,0,0|1,0,1]=4 800 B11R1.7 C=CC(C)(O)C1=CC=CC=C1 CNP0570138.0 [0,2,0,0,0,0|1,0,1]=4 801 B11R1.7 CC(C)(CO)C1=CC=CC=C1 CNP0520946.0 [0,2,0,0,0,0|1,0,1]=4 802 B11R1.7 CC(C)(OO)C1=CC=CC=C1 CNP0082560.0 [0,2,0,0,0,0|1,0,1]=4 803 B11R1.7 CC(O)(CO)C1=CC=CC=C1 CNP0122921.0 [0,2,0,0,0,0|0,0,2]=4 804 B11R1.12 CC=C(C=O)C1=CC=CC=C1 CNP0164159.0 [0,2,0,0,0,0|1,0,0]=3 805 B11R1.12 COC(=NO)C1=CC=CC=C1 CNP0557037.0 [0,2,0,0,0,0|0,0,1]=3 806 B11R1.12 COC(OC)C1=CC=CC=C1 CNP0042286.0 [0,2,0,0,0,0|0,0,2]=4 807 B11R1.12 COP(OC)C1=CC=CC=C1 CNP0049160.0 [0,2,0,0,0,0|1,0,1]=4 808 B11R1.12 CO[C@H](C#N)C1=CC=CC=C1 CNP0186304.1 [0,2,0,0,0,0|1,0,1]=4 809 B11R1.12 CO[PH](OC)C1=CC=CC=C1 CNP0522233.0 [0,2,0,0,0,0|1,0,1]=4 810 B11R1.12 N#CC(=CCl)C1=CC=CC=C1 CNP0261686.0 [0,2,0,0,0,0|2,0,0]=4 811 B11R1.12 ON=C(NO)C1=CC=CN=C1 CNP0284226.0 [0,2,0,0,0,0|1,0,1]=4 812 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [0,2,0,0,0,0|1,0,1]=4 813 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [0,2,0,0,0,0|1,0,1]=4 814 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [0,2,0,0,0,0|0,0,0]=2 815 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [0,2,0,0,0,0|1,0,1]=4 816 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [0,2,0,0,0,0|1,0,1]=4 817 B11R1.16 CCCC(=O)C1=CC=CC=C1 CNP0079774.0 [0,2,0,0,0,0|1,0,0]=3 818 B11R1.16 CCCC(=S)C1=CC=CC=C1 CNP0467884.0 [0,2,0,0,0,0|1,1,0]=4 819 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [0,2,0,0,0,0|0,0,0]=2 820 B11R1.16 CCOC(=O)C1=CC=CC=N1 CNP0298485.0 [0,2,0,0,0,0|1,0,0]=3 821 B11R1.16 CCOC(=O)C1=CC=CN=C1 CNP0104896.0 [0,2,0,0,0,0|1,0,0]=3 822 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [0,2,0,0,0,0|1,0,1]=4 823 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [0,2,0,0,0,0|2,0,0]=4 824 B11R1.16 CNCC(=O)C1=CC=CC=C1 CNP0199751.0 [0,2,0,0,0,0|1,0,0]=3 825 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [0,2,0,0,0,0|1,0,1]=4 826 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [0,2,0,0,0,0|1,0,1]=4 827 B11R1.16 COCC(=O)C1=CC=CC=C1 CNP0505302.0 [0,2,0,0,0,0|0,0,0]=2 828 B11R1.16 N#CCC(=O)C1=CC=CC=C1 CNP0039912.0 [0,2,0,0,0,0|1,0,0]=3 829 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [0,2,0,0,0,0|0,1,0]=3 830 B11R1.16 O=C(NCO)C1=CC=CN=C1 CNP0259715.0 [0,2,0,0,0,0|1,0,0]=3 831 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [0,2,0,0,0,0|0,0,0]=2 832 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [0,2,0,0,0,0|0,0,1]=3 833 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [0,2,0,0,0,0|0,0,2]=4 834 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [0,2,0,0,0,0|0,0,2]=4 835 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [0,2,0,0,0,0|1,0,1]=4 836 B11R1.23 CC(=NO)C1=CC(=CC=N1)C CNP0162908.0 [0,2,0,0,0,0|2,0,0]=4 837 B11R1.23 CC(=NO)C1=CC=CC(=N1)C CNP0153650.0 [0,2,0,0,0,0|2,0,0]=4 838 B11R1.23 CNC(=O)C1=CC=CC(=C1)N CNP0065493.0 [0,2,0,0,0,0|1,0,0]=3 839 B11R1.23 COC(=O)C1=CC=CC(=C1)Br CNP0260377.0 [0,2,0,0,0,0|0,0,0]=2 840 B11R1.23 COC(=O)C1=CC=CC(=C1)C CNP0189828.0 [0,2,0,0,0,0|0,0,0]=2 841 B11R1.23 COC(=O)C1=CC=CC(=C1)N CNP0145729.0 [0,2,0,0,0,0|0,0,0]=2 842 B11R1.23 COC(=O)C1=CC=CC(=C1)O CNP0301417.0 [0,2,0,0,0,0|0,0,0]=2 843 B11R1.23 N#C[C@@H](O)C1=CC=CC(=C1)O CNP0135364.1 [0,2,0,0,0,0|1,0,1]=4 844 B11R1.23 NNC(=O)C1=CC=CC(=C1)Br CNP0017923.0 [0,2,0,0,0,0|1,0,0]=3 845 B11R1.23 NNC(=O)C1=CC=CC(=C1)N CNP0088265.0 [0,2,0,0,0,0|1,0,0]=3 846 B11R1.23 NNC(=O)C1=CC=CC(=C1)O CNP0218227.0 [0,2,0,0,0,0|1,0,0]=3 847 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,2,0,0,0,0|1,0,0]=3 848 B11R1.222 CC1=CC=NC=C1C(=O)NN CNP0243010.0 [0,2,0,0,0,0|2,0,0]=4 849 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|1,0,0]=3 850 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,2,0,0,0,0|0,0,0]=2 851 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,2,0,0,0,0|0,0,0]=2 852 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,2,0,0,0,0|0,0,0]=2 853 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,2,0,0,0,0|1,0,0]=3 854 B11R1.222 COC(=O)C1=CN=CC=C1N CNP0157135.0 [0,2,0,0,0,0|1,0,0]=3 855 B11R1.222 NNC(=O)C1=CC=CC=C1Cl CNP0255519.0 [0,2,0,0,0,0|1,0,0]=3 856 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,2,0,0,0,0|0,0,0]=2 857 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,2,0,0,0,0|0,0,0]=2 858 B11R1.87 CC1=CC=CC=C1S(=O)(=O)N CNP0258970.0 [0,2,0,0,0,0|1,0,1]=4 859 B11R1.87 CC1=CC=NC=C1S(=O)(=O)O CNP0476444.0 [0,2,0,0,0,0|2,0,0]=4 860 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,2,0,0,0,0|1,0,0]=3 861 B11R1.87 NC1=CC=CC=C1S(=O)(=O)N CNP0271391.0 [0,2,0,0,0,0|1,0,1]=4 862 B11R1.87 O=P(O)(O)C1=CC=CC=C1O CNP0471602.0 [0,2,0,0,0,0|1,0,0]=3 863 B11R1.87 O=S(=O)(O)C1=CC=CC=C1O CNP0450543.0 [0,2,0,0,0,0|1,0,0]=3 864 B11R1.155 CC1=CC=CC(=C1)C(C)(C)O CNP0612226.0 [0,2,0,0,0,0|1,0,1]=4 865 B11R1.155 NC1=CC=CC(=C1)S(=O)(=O)O CNP0197644.0 [0,2,0,0,0,0|1,0,0]=3 866 B11R1.155 O=P(O)(O)C1=CC=CC(=C1)O CNP0441003.0 [0,2,0,0,0,0|1,0,0]=3 867 B11R1.155 O=S(=O)(O)C1=CC=CC(=C1)O CNP0166325.0 [0,2,0,0,0,0|1,0,0]=3 868 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,2,0,0,0,0|2,0,0]=4 869 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,2,0,0,0,0|2,0,0]=4 870 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,2,0,0,0,0|1,0,0]=3 871 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [0,2,0,0,0,0|1,0,1]=4 872 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,2,0,0,0,0|2,0,0]=4 873 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,2,0,0,0,0|1,0,0]=3 874 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,2,0,0,0,0|0,0,0]=2 875 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,2,0,0,0,0|0,0,0]=2 876 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [0,2,0,0,0,0|1,0,0]=3 877 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [0,2,0,0,0,0|1,0,0]=3 878 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,2,0,0,0,0|1,0,0]=3 879 B11R1.53 NC(=O)C1=CC=CC=C1NO CNP0577643.0 [0,2,0,0,0,0|1,0,0]=3 880 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [0,2,0,0,0,0|1,0,0]=3 881 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,2,0,0,0,0|0,0,0]=2 882 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,2,0,0,0,0|0,0,0]=2 883 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,2,0,0,0,0|0,0,0]=2 884 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,2,0,0,0,0|0,0,0]=2 885 B11R1.53 O=[N+]([O-])C1=CC=CC=C1SCl CNP0516221.0 [0,2,0,0,0,0|1,0,1]=4 886 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,2,0,0,0,0|2,0,0]=4 887 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|1,0,0]=3 888 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,2,0,0,0,0|1,0,0]=3 889 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,2,0,0,0,0|1,0,0]=3 890 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,2,0,0,0,0|0,0,0]=2 891 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,2,0,0,0,0|0,0,0]=2 892 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,2,0,0,0,0|0,0,0]=2 893 B11R1.156 NC(=O)C1=C(C=CC=C1Cl)Cl CNP0189889.0 [0,2,0,0,0,0|1,0,0]=3 894 B11R1.156 NC(=S)C1=C(C=CC=C1Cl)Cl CNP0067522.0 [0,2,0,0,0,0|1,1,0]=4 895 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,2,0,0,0,0|0,0,0]=2 896 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [0,2,0,0,0,0|1,0,0]=3 897 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,2,0,0,0,0|2,0,0]=4 898 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|1,0,0]=3 899 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,2,0,0,0,0|0,0,0]=2 900 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,2,0,0,0,0|0,0,0]=2 901 B11R1.159 NC(=O)C1=CC=CC(=C1N)O CNP0129939.0 [0,2,0,0,0,0|1,0,0]=3 902 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,2,0,0,0,0|1,0,0]=3 903 B11R1.159 NC1=C(C=CC=C1C(=O)O)Cl CNP0150804.0 [0,2,0,0,0,0|0,0,0]=2 904 B11R1.159 NC1=C(C=CC=C1C(=O)O)O CNP0324729.0 [0,2,0,0,0,0|0,0,0]=2 905 B11R1.159 NC1=CC=CC(=C1N)C(=O)O CNP0140316.0 [0,2,0,0,0,0|0,0,0]=2 906 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,2,0,0,0,0|0,0,0]=2 907 B11R1.159 N[C@@H]1C(=CC=C[C@H]1O)C(=O)O CNP0161245.1 [0,2,0,0,0,0|0,0,2]=4 908 B11R1.159 N[C@H]1C(=CC=C[C@@H]1O)C(=O)O CNP0161245.2 [0,2,0,0,0,0|0,0,2]=4 909 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,2,0,0,0,0|1,0,0]=3 910 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,2,0,0,0,0|0,0,0]=2 911 B11R1.159 O=C(O)C1=CC=CC(=O)C1=O CNP0189448.0 [0,2,0,0,0,0|0,0,0]=2 912 B11R1.159 O=C(O)C1=CC=C[C@@H]([C@H]1O)O CNP0176375.1 [0,2,0,0,0,0|0,0,2]=4 913 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,2,0,0,0,0|1,0,0]=3 914 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,2,0,0,0,0|0,0,1]=3 915 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|1,0,0]=3 916 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|1,0,0]=3 917 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|1,0,0]=3 918 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,2,0,0,0,0|1,0,0]=3 919 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,2,0,0,0,0|0,0,0]=2 920 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,2,0,0,0,0|0,0,0]=2 924 B11R1.167 CC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0495474.0 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.167 CC1=CC=[N+](C=C1C(=O)N)[O-] CNP0497301.0 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.167 CC1=CC=[N+](C=C1C(=O)O)[O-] CNP0577851.0 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.167 CN1C=CC(=O)C(=C1)C(=O)N CNP0212515.0 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,2,0,0,0,0|0,0,0]=2 929 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,2,0,0,0,0|0,0,0]=2 930 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Br CNP0575206.0 [0,2,0,0,0,0|1,0,1]=4 931 B11R1.167 NC1=CC=C(C=C1[N+](=O)[O-])Cl CNP0583325.0 [0,2,0,0,0,0|1,0,1]=4 932 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,2,0,0,0,0|0,0,0]=2 933 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,2,0,0,0,0|1,0,0]=3 934 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,2,0,0,0,0|1,0,1]=4 935 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.74 CC(=O)C1=CC(=CC(=C1)O)O CNP0352952.0 [0,2,0,0,0,0|1,0,0]=3 938 B11R1.74 CC(=O)C1=CC(=NC(=C1)O)C CNP0546674.0 [0,2,0,0,0,0|2,0,0]=4 939 B11R1.74 CC(=O)C1=CC(=O)NC(=C1)C CNP0143897.0 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.74 CC1=CC(=CC(=C1)C(=N)N)C CNP0455721.0 [0,2,0,0,0,0|2,0,0]=4 941 B11R1.74 CC1=CC(=CC(=C1)C(=O)Cl)C CNP0063069.0 [0,2,0,0,0,0|1,0,0]=3 942 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)C CNP0469512.0 [0,2,0,0,0,0|0,0,0]=2 943 B11R1.74 CC1=CC(=CC(=C1)C(=O)O)N CNP0441939.0 [0,2,0,0,0,0|0,0,0]=2 944 B11R1.74 CC1=CC(=CC(=C1)[N+](=O)[O-])C CNP0484897.0 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.74 CC1=CC(=CC(=O)N1)C(=O)O CNP0398097.0 [0,2,0,0,0,0|1,0,0]=3 946 B11R1.74 NC(=O)C1=CC(=CC(=C1)O)O CNP0282728.0 [0,2,0,0,0,0|1,0,0]=3 947 B11R1.74 NC1=CC(=CC(=C1)C(=O)O)O CNP0285554.0 [0,2,0,0,0,0|0,0,0]=2 948 B11R1.74 O=C(O)C1=CC(=CC(=C1)O)O CNP0151632.0 [0,2,0,0,0,0|0,0,0]=2 949 B11R1.74 O=C(O)C1=CC(=NC(=C1)Cl)Cl CNP0611630.0 [0,2,0,0,0,0|1,0,0]=3 950 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)O CNP0569904.0 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.74 O=C(O)C1=CC(=NC(=N1)O)[O-] CNP0579704.0 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.74 O=C(O)C1=CC(=O)NC(=O)N1 CNP0403686.0 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.74 O=C1C=C(CC(=O)O1)C(=O)O CNP0095523.0 [0,2,0,0,0,0|1,0,1]=4 954 B11R1.74 O=[N+]([O-])C1=CC(=CC(=C1)O)O CNP0561927.0 [0,2,0,0,0,0|1,0,1]=4 955 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,2,0,0,0,0|1,0,0]=3 956 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,2,0,0,0,0|1,0,0]=3 957 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,2,0,0,0,0|1,0,0]=3 959 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,2,0,0,0,0|1,0,0]=3 960 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,2,0,0,0,0|0,0,0]=2 961 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,2,0,0,0,0|0,0,0]=2 962 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,2,0,0,0,0|0,0,0]=2 963 B11R1.266 O=CC1=CC=CC(=C1)[N+](=O)[O-] CNP0576459.0 [0,2,0,0,0,0|1,0,1]=4 964 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,0,1,1,0,0|1,0,1]=4 965 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,1,1,0,0|1,0,1]=4 966 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,1,1,0,0|1,0,1]=4 967 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,1,1,0,0|1,0,1]=4 968 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|2,0,0]=4 969 B9R1.22 C=CC1=C[C@H](OC1=O)O CNP0420562.1 [0,0,1,1,0,0|1,0,1]=4 970 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|1,0,1]=4 971 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,0,1|2,0,0]=4 972 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,0,1|1,0,0]=3 973 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,0,1|1,1,0]=4 974 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,0,1|1,0,0]=3 975 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,0,1|1,1,0]=4 976 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,0,0,1,0,1|2,0,0]=4 977 B11R2.10 N=C1N=C2C=CC=CN2O1 CNP0411538.0 [0,0,0,1,0,1|2,0,0]=4 978 B11R2.10 N=C1N=C2C=CNC=C2O1 CNP0061872.0 [0,0,0,1,0,1|2,0,0]=4 979 B11R2.10 N=C1NC2=CC=CC=C2N1 CNP0097810.0 [0,0,0,1,0,1|2,0,0]=4 980 B11R2.10 NC1=NC2=CC=CC=C2N1 CNP0568172.0 [0,0,0,1,0,1|2,0,0]=4 981 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,0,0,1,0,1|1,1,0]=4 982 B11R2.10 NC1=NC2=CC=CN=C2O1 CNP0001317.0 [0,0,0,1,0,1|2,0,0]=4 983 B11R2.10 NC1=NC2=CC=NC=C2O1 CNP0001315.0 [0,0,0,1,0,1|2,0,0]=4 984 B11R2.10 NC1=NC2=CN=CC=C2O1 CNP0001331.0 [0,0,0,1,0,1|2,0,0]=4 985 B11R2.10 NC1=NC2=NC=CC=C2O1 CNP0095068.0 [0,0,0,1,0,1|2,0,0]=4 986 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,0,1|1,0,0]=3 987 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,0,1|1,0,0]=3 988 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,0,1|0,0,1]=3 989 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,1|1,0,0]=3 990 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,1|0,0,0]=2 991 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,0,1|0,0,0]=2 992 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,0,1|0,1,0]=3 993 B11R2.10 O=C1NC2=CC=CN=C2N1 CNP0001340.0 [0,0,0,1,0,1|2,0,0]=4 994 B11R2.10 O=C1NC2=CC=NC=C2N1 CNP0001335.0 [0,0,0,1,0,1|2,0,0]=4 995 B11R2.10 O=C1NC2C=CC=CC2O1 CNP0086322.0 [0,0,0,1,0,1|0,0,2]=4 996 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,0,1|1,0,0]=3 997 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,0,1|0,0,1]=3 998 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,1,0,1|0,1,0]=3 999 B11R2.10 OC1=NC2=CNC=CC2=N1 CNP0001211.0 [0,0,0,1,0,1|2,0,0]=4 1000 B11R2.10 OC1=NN2C=CC=CC2=N1 CNP0001217.0 [0,0,0,1,0,1|2,0,0]=4 1001 B11R2.10 ON1N=C2C=CC=CC2=N1 CNP0001267.0 [0,0,0,1,0,1|2,0,0]=4 1002 B11R2.10 S=C1N=C2C=CC=CC2=N1 CNP0444461.0 [0,0,0,1,0,1|1,1,0]=4 1003 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,0,0,1,0,1|0,2,0]=4 1004 B11R2.10 SC1=NC2=CC=CC=C2N1 CNP0475824.0 [0,0,0,1,0,1|1,1,0]=4 1005 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,0,0,1,0,1|0,2,0]=4 1006 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,0,1|1,0,1]=4 1007 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,0,1|1,0,1]=4 1008 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|1,0,0]=3 1009 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [0,1,0,1,0,0|2,0,0]=4 1010 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,1,0,1,0,0|1,1,0]=4 1011 B11R2.1 BrC1=NOC2=NC=CC=C12 CNP0439531.0 [0,1,0,1,0,0|2,0,0]=4 1012 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [0,1,0,1,0,0|2,0,0]=4 1013 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [0,1,0,1,0,0|2,0,0]=4 1014 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|2,0,0]=4 1015 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,1,0,1,0,0|2,0,0]=4 1016 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,1,0,1,0,0|1,1,0]=4 1017 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [0,1,0,1,0,0|2,0,0]=4 1018 B11R2.1 ClC1=NOC2=NC=CC=C12 CNP0066661.0 [0,1,0,1,0,0|2,0,0]=4 1019 B11R2.1 N=C1ON=C2C1=CC=CN2 CNP0272100.0 [0,1,0,1,0,0|2,0,0]=4 1020 B11R2.1 N=C1ON=C2C1=CNC=C2 CNP0283866.0 [0,1,0,1,0,0|2,0,0]=4 1021 B11R2.1 N=C1ON=C2N1C=CC=C2 CNP0197743.0 [0,1,0,1,0,0|2,0,0]=4 1022 B11R2.1 N=C1ONC2=CC=CN=C12 CNP0051116.0 [0,1,0,1,0,0|2,0,0]=4 1023 B11R2.1 N=C1ONC2=CC=NC=C12 CNP0173963.0 [0,1,0,1,0,0|2,0,0]=4 1024 B11R2.1 N=C1ONC2=CN=CC=C12 CNP0352829.0 [0,1,0,1,0,0|2,0,0]=4 1025 B11R2.1 NC1=C2C=CC=NC2=NO1 CNP0001255.0 [0,1,0,1,0,0|2,0,0]=4 1026 B11R2.1 NC1=C2C=CN=CC2=NO1 CNP0293891.0 [0,1,0,1,0,0|2,0,0]=4 1027 B11R2.1 NC1=C2C=NC=CC2=NO1 CNP0277328.0 [0,1,0,1,0,0|2,0,0]=4 1028 B11R2.1 NC1=C2N=CC=CC2=NO1 CNP0001258.0 [0,1,0,1,0,0|2,0,0]=4 1029 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [0,1,0,1,0,0|2,0,0]=4 1030 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,1,0,1,0,0|2,0,0]=4 1031 B11R2.1 NC1=NOC2=CC=CN=C12 CNP0053623.0 [0,1,0,1,0,0|2,0,0]=4 1032 B11R2.1 NC1=NOC2=CC=NC=C12 CNP0001313.0 [0,1,0,1,0,0|2,0,0]=4 1033 B11R2.1 NC1=NOC2=CN=CC=C12 CNP0001314.0 [0,1,0,1,0,0|2,0,0]=4 1034 B11R2.1 NC1=NOC2=NC=CC=C12 CNP0001338.0 [0,1,0,1,0,0|2,0,0]=4 1035 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,1,0,1,0,0|1,1,0]=4 1036 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,1,0,1,0,0|2,0,0]=4 1037 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [0,1,0,1,0,0|1,0,0]=3 1038 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|1,0,0]=3 1039 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|1,0,0]=3 1040 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|0,0,0]=2 1041 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [0,1,0,1,0,0|1,0,0]=3 1042 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|1,0,0]=3 1043 B11R2.1 O=C1NN=C2N1C=CC=C2 CNP0087061.0 [0,1,0,1,0,0|2,0,0]=4 1044 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,1,0,1,0,0|2,0,0]=4 1045 B11R2.1 O=C1NNC2=CN=CC=C12 CNP0001339.0 [0,1,0,1,0,0|2,0,0]=4 1046 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,1,0,1,0,0|2,0,0]=4 1047 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,1,0,1,0,0|0,1,0]=3 1048 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|0,0,0]=2 1049 B11R2.1 OC1=C2C=CC=CN2N=N1 CNP0199539.0 [0,1,0,1,0,0|2,0,0]=4 1050 B11R2.1 OC1=C2C=CNC=C2N=N1 CNP0067928.0 [0,1,0,1,0,0|2,0,0]=4 1051 B11R2.1 OC1=C2NC=CC=C2N=N1 CNP0414140.0 [0,1,0,1,0,0|2,0,0]=4 1052 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [0,1,0,1,0,0|1,0,0]=3 1053 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,1,0,1,0,0|1,0,0]=3 1054 B11R2.1 OC1=NN=C2C1=CNC=C2 CNP0001061.0 [0,1,0,1,0,0|2,0,0]=4 1055 B11R2.1 OC1=NNC2=CC=NC=C12 CNP0001328.0 [0,1,0,1,0,0|2,0,0]=4 1056 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [0,1,0,1,0,0|0,0,1]=3 1057 B11R2.1 ON1N=NC2=CC=CC=C12 CNP0077091.0 [0,1,0,1,0,0|2,0,0]=4 1058 B11R2.1 [O-][N+]1=C2C=CC=CC2=NO1 CNP0580916.0 [0,1,0,1,0,0|1,0,1]=4 1059 B11R2.54 O=C1C(=O)C2=CC=CC=C12 CNP0458247.0 [0,1,0,1,0,0|0,0,1]=3 1060 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|1,0,0]=3 1061 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|1,0,0]=3 1062 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [0,1,0,1,0,0|1,0,0]=3 1063 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,1,0,1,0,0|1,0,1]=4 1064 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|1,0,0]=3 1065 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|1,0,0]=3 1066 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|1,0,0]=3 1067 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|1,0,0]=3 1068 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,1,0|2,0,0]=4 1069 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,1,0|2,0,0]=4 1070 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,1,0|1,0,0]=3 1071 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,1,0|1,0,0]=3 1072 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,1,0|1,0,0]=3 1073 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,1,0|1,0,0]=3 1074 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,1,0|1,0,0]=3 1075 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,1,0|1,0,0]=3 1076 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|1,0,1]=4 1077 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|1,0,1]=4 1078 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|1,0,1]=4 1079 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|1,0,1]=4 1080 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,2|2,0,0]=4 1081 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,2|1,0,0]=3 1082 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,2|1,0,0]=3 1083 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,2|1,0,0]=3 1084 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,2|1,0,0]=3 1085 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,2|1,0,1]=4 1086 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,2|1,0,1]=4 1087 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,2|1,0,0]=3 1088 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,2|1,0,0]=3 1089 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,2|1,0,0]=3 1090 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,2|1,0,0]=3 1091 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,2|1,0,0]=3 1092 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,2|1,1,0]=4 1093 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,2|1,0,0]=3 1094 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,2|1,0,0]=3 1095 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,2|0,0,0]=2 1096 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,2|0,0,0]=2 1097 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,2|1,0,0]=3 1098 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,0,0,0,0,2|0,0,2]=4 1099 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,2|0,0,0]=2 1100 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,2|0,0,0]=2 1101 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,2|0,0,0]=2 1102 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,2|0,0,0]=2 1103 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,2|1,0,1]=4 1104 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,2|1,0,1]=4