0 B8R1.18 BrC1=NC(=C(N1)Br)Br CNP0018157.0 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,0,0,0,0,0|1,1,0]=2 4 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,0,0,0,0,0|1,0,1]=2 5 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,0,0,0,0,0|3,0,1]=4 11 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,0,0,0,0,0|3,0,1]=4 14 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,0,0,0,0,0|0,0,0]=0 15 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,0,0,0,0,0|0,1,0]=1 16 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,0,0,0,0,0|0,0,2]=2 17 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,0,0,0,0,0|0,1,2]=3 18 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,0,0,0|3,0,1]=4 20 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,0,0,0,0,0|1,0,3]=4 22 B8R1.18 CN1CC(=NC1=N)O CNP0479644.0 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.18 CN1CC(=NC1=O)O CNP0592460.0 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.18 CN1CC(=O)N=C1N CNP0309599.0 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.18 C[C@@H]1N=C(N=C1O)O CNP0188856.1 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,0,0,0|2,0,2]=4 30 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,0,0,0|3,0,1]=4 31 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,0,0,0|2,0,1]=4 34 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,0,0|1,0,1]=3 40 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,0,0|1,0,0]=2 41 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,0,0|1,1,0]=3 42 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,0,0,0|2,0,0]=3 43 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,0,0,0,0,0|1,0,0]=2 45 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,0,0,0,0,0|0,0,0]=1 46 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,0,0,0,0,0|0,1,0]=2 47 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,0,0,0,0,0|1,0,0]=2 48 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,0,0,0|0,0,0]=1 51 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,0,0|1,1,0]=3 52 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,0,0,0,0,0|0,1,0]=2 53 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [1,0,0,0,0,0|1,0,2]=4 54 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [1,0,0,0,0,0|0,0,2]=3 55 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,0,0,0,0,0|0,1,2]=4 56 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,0,0,0,0,0|2,0,0]=3 58 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,0,0,0,0,0|1,0,0]=2 59 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [1,0,0,0,0,0|2,1,0]=4 60 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [1,0,0,0,0,0|2,1,0]=4 61 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,0,0,0,0,0|2,0,0]=3 62 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,0,0,0,0,0|1,0,2]=4 64 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,0,0,0|3,0,0]=4 65 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,0,0|2,0,0]=3 66 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,0,0|2,1,0]=4 67 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,0,0,0|2,0,1]=4 68 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,0,0,0,0,0|0,0,0]=1 71 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,0,0|1,1,0]=3 72 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,0,0,0,0,0|0,1,0]=2 73 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.4 CC1=NCNC1=O CNP0353390.0 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.4 CN1C=CN=C1N CNP0308541.0 [1,0,0,0,0,0|3,0,0]=4 78 B7R1.4 CN1C=CN=C1S CNP0605467.0 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.22 C=CC1=C(N=C(S1)C)C CNP0002831.0 [0,1,0,0,0,0|0,1,1]=3 81 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,1,0,0,0,0|0,0,0]=1 85 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,1,0,0,0,0|0,1,0]=2 86 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,1,0,0,0,0|0,0,0]=1 87 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,1,0,0,0,0|0,1,0]=2 88 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,1,0,0,0,0|1,0,0]=2 89 B9R1.23 CC1=CC(=NC1=O)NO CNP0608993.0 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.23 CC1=CC(=NN1C)CO CNP0062885.0 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,1,0,0,0,0|2,0,1]=4 92 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,1,0,0,0,0|0,0,0]=1 93 B9R1.23 CCC1=NC(=C(S1)C)C CNP0002548.0 [0,1,0,0,0,0|0,1,0]=2 94 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,1,0,0,0,0|0,1,2]=4 95 B9R1.36 CC1=CC(N=C1O)(C)C CNP0570737.0 [0,1,0,0,0,0|2,0,1]=4 96 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,0,0,0|2,0,1]=4 106 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,0,0,0|2,0,1]=4 107 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,0,0,0|2,0,1]=4 109 B9R1.37 CC1=NN(C(=C1I)Cl)C CNP0469987.0 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.37 CC1=NN(C(=O)C1C)C CNP0584590.0 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.38 CC1(OC(=O)N=C1O)C CNP0372072.0 [0,1,0,0,0,0|2,0,1]=4 112 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,0,1,0,0,0|2,0,1]=4 113 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,0,1,0,0,0|2,0,0]=3 115 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,1,0,0,0|1,0,2]=4 116 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,0,1,0,0,0|2,0,1]=4 117 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,0,1,0,0,0|1,0,2]=4 118 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,0,1,0,0,0|1,0,2]=4 119 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,0,0|2,0,1]=4 120 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,0,1,0,0,0|2,0,1]=4 122 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,0,1,0,0,0|2,0,1]=4 125 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,0,1,0,0,0|2,0,1]=4 127 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,0,1,0,0,0|1,0,2]=4 128 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,0,1,0,0,0|3,0,0]=4 129 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,1,0,0,0|2,0,1]=4 130 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,0,0,0,0,1|2,0,0]=3 132 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,0,0,0,0,1|3,0,0]=4 134 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,0,0,0,0,1|3,0,0]=4 135 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,0,0,0,0,1|3,0,0]=4 136 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,0,0,0,0,1|3,0,0]=4 137 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,0,0,0,0,1|1,0,0]=2 138 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,0,0,0,0,1|3,0,0]=4 139 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [0,0,0,0,0,1|2,0,0]=3 140 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [0,0,0,0,0,1|2,0,0]=3 141 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,0,0,0,0,1|3,0,0]=4 142 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,0,0,0,0,1|3,0,0]=4 143 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,0,0,0,0,1|2,0,0]=3 145 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,0,0,0,0,1|1,0,2]=4 146 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [0,0,0,0,0,1|2,0,1]=4 147 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,0,0,0,0,1|3,0,0]=4 148 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,0,0,0,0,1|2,0,0]=3 149 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,0,0,0,0,1|1,0,0]=2 150 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,0,0,0,0,1|3,0,0]=4 151 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,0,0,0,0,1|3,0,0]=4 152 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,0,0,0,0,1|2,0,0]=3 153 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,0,0,0,0,1|3,0,0]=4 154 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,0,0,0,0,1|3,0,0]=4 155 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,0,0,0,0,1|3,0,0]=4 156 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,0,0,0,0,1|3,0,0]=4 157 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,0,0,0,0,1|3,0,0]=4 158 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,0,0,0,0,1|3,0,0]=4 159 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,0,0,0,0,1|1,0,0]=2 160 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,0,0,0,0,1|2,0,0]=3 161 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,0,0,0,0,1|3,0,0]=4 162 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,0,0,0,0,1|3,0,0]=4 163 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,0,0,0,0,1|3,0,0]=4 164 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,0,0,0,0,1|3,0,0]=4 165 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,0,0,0,0,1|3,0,0]=4 166 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,0,0,0,0,1|1,0,0]=2 167 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,0,0,0,0,1|3,0,0]=4 168 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,0,0,0,0,1|1,0,0]=2 169 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,0,0,0,0,1|3,0,0]=4 171 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,0,0,0,0,1|3,0,0]=4 172 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,0,0,0,0,1|3,0,0]=4 173 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,0,0,0,0,1|3,0,0]=4 174 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,0,0,0,0,1|2,0,0]=3 175 B9R1.69 CC1=NNC(=O)NC1=O CNP0082142.0 [0,0,0,0,0,1|3,0,0]=4 176 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|1,0,0]=3 178 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,1,0,0,0|2,0,0]=4 179 B6R0.1 CC=NN(C)C=O CNP0241743.0 [1,0,1,0,0,0|1,0,1]=4 180 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,1,0,0,0|1,0,1]=4 181 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|1,0,1]=4 183 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,1,0,0,0|2,0,0]=4 184 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|1,0,1]=4 185 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,1,0,0,0|2,0,0]=4 186 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,0,1,0,0,0|1,0,1]=4 188 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [1,0,1,0,0,0|1,0,1]=4 190 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|2,0,0]=4 191 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,1,0,0,0|2,0,0]=4 192 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,1,0,0,0|1,0,1]=4 193 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.3 CC(=NO)C(=O)O CNP0205729.0 [1,0,1,0,0,0|2,0,0]=4 196 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [1,0,1,0,0,0|1,0,1]=4 197 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [1,0,1,0,0,0|0,0,1]=3 198 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [1,0,1,0,0,0|1,0,1]=4 199 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,1,0,0,0|1,0,0]=3 200 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [1,0,1,0,0,0|1,0,1]=4 202 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,0,1,0,0,0|1,0,1]=4 204 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [2,0,0,0,0,0|1,0,1]=4 205 B6R1.2 CC1=CC=CN1 CNP0003130.0 [2,0,0,0,0,0|1,0,1]=4 206 B6R1.2 CC1=CC=CO1 CNP0204821.0 [2,0,0,0,0,0|1,0,0]=3 207 B6R1.2 CC1=CC=CS1 CNP0308280.0 [2,0,0,0,0,0|1,1,0]=4 208 B6R1.2 CC1=CN=CN1 CNP0175437.0 [2,0,0,0,0,0|1,0,0]=3 209 B6R1.2 CC1=CN=CS1 CNP0003129.0 [2,0,0,0,0,0|0,1,0]=3 210 B6R1.2 CC1=CN=NS1 CNP0149602.0 [2,0,0,0,0,0|1,1,0]=4 211 B6R1.2 CC1=CNC=C1 CNP0578230.0 [2,0,0,0,0,0|1,0,1]=4 212 B6R1.2 CC1=CNC=N1 CNP0484047.0 [2,0,0,0,0,0|1,0,0]=3 213 B6R1.2 CC1=CNN=C1 CNP0179752.0 [2,0,0,0,0,0|2,0,0]=4 214 B6R1.2 CC1=COC=C1 CNP0401605.0 [2,0,0,0,0,0|1,0,0]=3 215 B6R1.2 CC1=COCC1 CNP0002470.0 [2,0,0,0,0,0|1,0,1]=4 216 B6R1.2 CC1=CSC=C1 CNP0153726.0 [2,0,0,0,0,0|1,1,0]=4 217 B6R1.2 CC1=CSC=N1 CNP0121199.0 [2,0,0,0,0,0|0,1,0]=3 218 B6R1.2 CC1=NC=CS1 CNP0611676.0 [2,0,0,0,0,0|0,1,0]=3 219 B6R1.2 CC1=NCCO1 CNP0601624.0 [2,0,0,0,0,0|0,0,2]=4 220 B6R1.2 CC1=NN=CO1 CNP0610339.0 [2,0,0,0,0,0|1,0,0]=3 221 B6R1.2 CN1C=CN=C1 CNP0492624.0 [2,0,0,0,0,0|2,0,0]=4 222 B6R1.2 NC1=CN=CN1 CNP0269270.0 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 NC1=COC=N1 CNP0572216.0 [2,0,0,0,0,0|1,0,0]=3 224 B6R1.2 NC1=NC=CN1 CNP0407827.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 NC1=NC=CS1 CNP0515899.0 [2,0,0,0,0,0|1,1,0]=4 226 B6R1.2 O=C1CC=CO1 CNP0494071.0 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 O=C1OC=CO1 CNP0585701.0 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.2 OC1=CC=CO1 CNP0600093.0 [2,0,0,0,0,0|2,0,0]=4 229 B8R0.2 C/C=C(/C)\[C@H](N)C(=O)O CNP0249655.2 [0,1,1,0,0,0|2,0,0]=4 230 B8R0.2 C/C=C(\C)/[C@H](N)C(=O)O CNP0249655.1 [0,1,1,0,0,0|2,0,0]=4 231 B8R0.2 CC=C(C)C(O)C(=O)O CNP0231928.0 [0,1,1,0,0,0|2,0,0]=4 232 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|1,0,1]=4 233 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,1,1,0,0,0|1,0,0]=3 234 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [0,1,1,0,0,0|1,0,1]=4 235 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,1,1,0,0,0|1,0,1]=4 236 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,1,1,0,0,0|1,0,1]=4 237 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|2,0,0]=4 238 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [1,1,0,0,0,0|1,0,0]=3 240 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [1,1,0,0,0,0|1,0,0]=3 241 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,1,0,0,0,0|1,0,0]=3 243 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,1,0,0,0,0|1,1,0]=4 244 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [1,1,0,0,0,0|0,0,0]=2 246 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [1,1,0,0,0,0|0,1,0]=3 247 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [1,1,0,0,0,0|0,0,0]=2 248 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [1,1,0,0,0,0|0,1,0]=3 249 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,1,0,0,0,0|1,0,0]=3 250 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,1,0,0,0,0|0,0,0]=2 251 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,1,0,0,0,0|0,1,0]=3 252 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,1,0,0,0,0|0,0,0]=2 253 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [1,1,0,0,0,0|0,1,0]=3 254 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,1,0,0,0,0|1,1,0]=4 256 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [1,1,0,0,0,0|0,0,2]=4 258 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [1,1,0,0,0,0|0,1,1]=4 259 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [1,1,0,0,0,0|0,0,1]=3 260 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,1,0,0,0,0|0,0,0]=2 261 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,1,0,0,0,0|0,1,0]=3 262 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.8 CC1=CC(=CC(=C1)CO)C CNP0300262.0 [0,1,0,0,0,1|2,0,0]=4 264 B10R1.8 CC1=CC(=NC(=N1)NN)C CNP0156530.0 [0,1,0,0,0,1|2,0,0]=4 265 B10R1.8 CC1=CC(=O)C=C(O1)CO CNP0356793.0 [0,1,0,0,0,1|2,0,0]=4 266 B10R1.8 CC1=CC(=O)OC(=C1)CBr CNP0047993.0 [0,1,0,0,0,1|2,0,0]=4 267 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [0,1,0,0,0,1|2,0,0]=4 268 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [0,1,0,0,0,1|1,0,0]=3 269 B10R1.8 CCC1=CC(=NC(=C1)C)C CNP0234681.0 [0,1,0,0,0,1|1,0,0]=3 270 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [0,1,0,0,0,1|2,0,0]=4 271 B10R1.8 COC1=CC(=O)OC(=C1)C CNP0494967.0 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,1,0,0,0,1|1,0,0]=3 276 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,1,0,0,0,1|1,0,1]=4 277 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,1,0,0,0,1|1,0,1]=4 278 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,1,0,0,0,1|1,0,1]=4 279 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.25 CC1=NC=C(C(=N)N1)CO CNP0546737.0 [0,1,0,0,0,1|2,0,0]=4 282 B10R1.25 CC1=NC=C(C(=N1)N)CN CNP0495482.0 [0,1,0,0,0,1|2,0,0]=4 283 B10R1.25 CC1=NC=C(C(=N1)N)CO CNP0300516.0 [0,1,0,0,0,1|2,0,0]=4 284 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,1|2,0,0]=4 285 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,1,0,0,0,1|1,0,0]=3 286 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,1|2,0,0]=4 287 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,1,0,0,0,1|1,0,0]=3 288 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [0,1,0,0,0,1|1,0,1]=4 289 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,1,0,0,0,1|2,0,0]=4 290 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,1,0,0,0,1|2,0,0]=4 291 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,1,0,0,0,1|2,0,0]=4 292 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,1,0,0,0,1|1,0,0]=3 293 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,1,0,0,0,1|2,0,0]=4 294 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,1,0,0,0,1|1,0,0]=3 295 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,1,0,0,0,1|1,0,0]=3 296 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,1,0,0,0,1|2,0,0]=4 297 B10R1.118 CC1=C(N=C(C(=N1)C)C)C CNP0327107.0 [0,1,0,0,0,1|1,0,0]=3 298 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,1,0,0,0,1|2,0,0]=4 299 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,1,0,0,0,1|1,0,0]=3 300 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,1,0,0,0,1|2,0,0]=4 301 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,1,0,0,0,1|2,0,0]=4 302 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,1,0,0,0,1|2,0,0]=4 303 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,1,0,0,0,1|1,0,0]=3 304 B10R1.147 CC1=NCC(N=C1C)(C)C CNP0549187.0 [0,1,0,0,0,1|1,0,1]=4 305 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,1,0,0,0,1|2,0,0]=4 306 B10R1.176 CC1=NC=C(N=C1C)CO CNP0333058.0 [0,1,0,0,0,1|1,0,0]=3 307 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,1,0,0,0,1|2,0,0]=4 308 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,1,0,0,0,1|1,0,0]=3 309 B10R1.176 CCC1=CN=C(C(=N1)C)C CNP0231860.0 [0,1,0,0,0,1|1,0,0]=3 310 B10R1.32 CCC1=C(OC(=N1)C)CC CNP0002746.0 [0,2,0,0,0,0|0,0,0]=2 311 B10R1.34 CC=C1OC(=C(C1=O)O)C CNP0081746.0 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.34 CCC1=NN(C(=C1C)C)C CNP0370475.0 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.35 CCC1=NC(=C(S1)CC)C CNP0028852.0 [0,2,0,0,0,0|0,1,0]=3 314 B10R1.35 COC1=CC(=C(O1)C=O)C CNP0484703.0 [0,2,0,0,0,0|1,0,1]=4 315 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,2,0,0,0,0|0,0,0]=2 316 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,2,0,0,0,0|0,1,0]=3 317 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,2,0,0,0,0|1,1,0]=4 319 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.59 CC1=NN(C(=C1)C)C(C)C CNP0055107.0 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.130 CC1=NN(C(=C1)C)CCO CNP0060265.0 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.130 CCCC1=C(N=C(O1)C)C CNP0300414.0 [0,2,0,0,0,0|0,0,0]=2 323 B10R1.130 CCCC1=C(N=C(S1)C)C CNP0002545.0 [0,2,0,0,0,0|0,1,0]=3 324 B10R1.130 CCCC1=C(SC(=N1)C)C CNP0094529.0 [0,2,0,0,0,0|0,1,0]=3 325 B10R1.130 CSSC1=C(OC(=C1)C)C CNP0237474.0 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.256 CC1=C(C(=C(O1)N)C#N)C CNP0359978.0 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.256 CC1=NN(C(=C1C=O)C)C CNP0448242.0 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.256 CCC1=C(NC(=C1C)C)C CNP0244315.0 [0,2,0,0,0,0|1,0,1]=4 329 B10R1.256 COC1=C(O[C@@H](C1=O)C)C CNP0239878.1 [0,2,0,0,0,0|1,0,1]=4 330 B10R1.58 CC1=C(OC(=N1)C(C)C)C CNP0140800.0 [0,2,0,0,0,0|0,0,0]=2 331 B10R1.58 CC1=C(SC(=N1)C(C)C)C CNP0271534.0 [0,2,0,0,0,0|0,1,0]=3 332 B10R1.131 CCCC1=NC(=C(O1)C)C CNP0002747.0 [0,2,0,0,0,0|0,0,0]=2 333 B10R1.131 CCCC1=NC(=C(S1)C)C CNP0002544.0 [0,2,0,0,0,0|0,1,0]=3 334 B10R1.191 C=C1C(=C(C(=C1C)C)C)C CNP0566839.0 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.191 CC1=C(C(C(=C1C)C)C)C CNP0153262.0 [0,2,0,0,0,0|2,0,0]=4 336 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,1,1,0,0|1,0,1]=4 337 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,1,1,0,0|1,0,1]=4 338 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,1,1,0,0|2,0,0]=4 339 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,1,1,0,0|1,0,1]=4 340 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,1,1,0,0|1,0,1]=4 341 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,1,1,0,0|1,0,1]=4 342 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,1,1,0,0|2,0,0]=4 343 B8R1.4 OC1=NC(=NCC1)O CNP0488616.0 [0,0,1,1,0,0|2,0,0]=4 344 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,1,1,0,0|1,0,1]=4 345 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,1,1,0,0|0,0,2]=4 346 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,1,1,0,0|1,0,1]=4 347 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,1,1,0,0|0,0,2]=4 348 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,1,1,0,0|1,0,1]=4 349 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,1,1,0,0|1,0,1]=4 350 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,0,1,0,0,1|1,0,1]=4 351 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,0,1,0,0,1|1,0,0]=3 352 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,0,0,0,0,1|2,0,0]=4 353 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,0,0,0,0,1|2,0,0]=4 354 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,0,0,0,0,1|2,0,0]=4 355 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,0,0,0,0,1|1,0,0]=3 356 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,0,0,0,0,1|2,0,0]=4 357 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,0,0,0,0,1|2,0,0]=4 358 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,0,0,0,0,1|1,0,0]=3 359 B8R1.3 CC1=NCC(=NC1)C CNP0608420.0 [1,0,0,0,0,1|1,0,1]=4