0 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.39 CC(=O)N1C=CC=C1C=O CNP0167841.0 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,0,0,0,0,0|0,0,0]=0 3 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [1,0,0,0,0,0|0,0,0]=1 7 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [1,0,0,0,0,0|0,0,0]=1 14 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.193 COCC1=CNC=C1C(=O)C CNP0591296.0 [0,1,0,0,0,0|2,0,0]=3 22 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|2,0,1]=4 23 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,0,1,0,0,0|2,0,0]=3 24 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,0,1,0,0,0|2,0,0]=3 25 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,0,1,0,0,0|1,0,2]=4 26 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,0,1,0,0,0|2,0,1]=4 27 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,0,1,0,0,0|2,0,1]=4 28 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,0,1,0,0,0|1,0,2]=4 29 B11R2.106 CC1=NC=CN2C1=CC=C2 CNP0324548.0 [0,0,0,1,0,0|1,0,2]=4 30 B11R2.106 O=C1C=NNN2C1=CC=C2 CNP0000935.0 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,1,0,0|1,0,2]=4 32 B11R2.106 O=C1CCSC2=C1SC=C2 CNP0047930.0 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.106 O=C1N=CNN2C1=CC=C2 CNP0001336.0 [0,0,0,1,0,0|2,0,1]=4 34 B11R2.106 O=C1NN=CN2C1=CC=C2 CNP0293490.0 [0,0,0,1,0,0|2,0,1]=4 35 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,0,0,0,0,1|3,0,0]=4 36 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,0,0,0,0,1|3,0,0]=4 38 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.53 COC1=CC=NC=C1C(=O)O CNP0300933.0 [0,0,0,0,0,1|3,0,0]=4 44 B11R1.53 COC1=CN=CC=C1C(=O)O CNP0542461.0 [0,0,0,0,0,1|3,0,0]=4 45 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,0,0,0,0,1|3,0,0]=4 46 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,0,0,0,0,1|3,0,0]=4 47 B11R1.266 C=C(C)C1=CC=NC(=C1)CC CNP0500796.0 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,0,0,0,0,1|2,0,1]=4 49 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [0,0,0,0,0,1|1,0,0]=2 50 B11R1.266 CCC1=CN=CC(=N1)C(=O)C CNP0374683.0 [0,0,0,0,0,1|2,0,0]=3 51 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,0,0,0,0,1|3,0,0]=4 56 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|1,0,0]=3 57 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,0,1,0,0,0|0,0,2]=4 58 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 59 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|0,0,2]=4 60 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|0,0,0]=2 61 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [1,0,1,0,0,0|1,0,0]=3 62 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,0,1,0,0,0|0,0,2]=4 63 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,0,1,0,0,0|0,0,2]=4 64 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [2,0,0,0,0,0|1,0,1]=4 67 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [2,0,0,0,0,0|0,0,0]=2 68 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [2,0,0,0,0,0|0,0,0]=2 70 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [2,0,0,0,0,0|1,0,1]=4 74 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [2,0,0,0,0,0|1,0,1]=4 75 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [2,0,0,0,0,0|2,0,0]=4 82 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,1,0,0,0|2,0,0]=4 83 B10R0.55 CC[C@H](C)/C=C/C=C/C(=O)O CNP0204010.1 [0,1,1,0,0,0|2,0,0]=4 84 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|1,0,1]=4 85 B10R0.78 CCCCC(=O)C=CC(=O)C CNP0107630.0 [0,1,1,0,0,0|1,0,1]=4 86 B10R0.97 CC(C)CC=CC=CC(=O)N CNP0168929.0 [0,1,1,0,0,0|2,0,0]=4 87 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.59 CN1C=C(C=C1C(=O)N)Br CNP0123023.0 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.59 CN1C=C(C=C1C(=O)O)Br CNP0127452.0 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.59 CN1C=[N+](C=C1C(=O)O)C CNP0549952.0 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.59 CN1C=[N+](C=C1C(=O)[O-])C CNP0480508.0 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [1,1,0,0,0,0|0,0,0]=2 94 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [1,1,0,0,0,0|1,0,0]=3 96 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CNP0438693.0 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.283 CCNC1=CC=CC=C1C(=O)O CNP0071068.0 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.283 CCOC1=CC=CC=C1C(=O)O CNP0575551.0 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.437 COC1=CC=CC(=C1C(=O)C)C CNP0111015.0 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.437 COC1=CC=CC(=C1C(=O)C)O CNP0394493.0 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.258 C=C(C)C1=CC=CC(=C1)C(C)C CNP0084858.0 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.258 CC(=O)C1=CC(=CC=N1)C(C)C CNP0485147.0 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.258 CC(=O)C1=CC=CC(=N1)C(=O)C CNP0044968.0 [0,1,0,0,0,1|1,0,1]=4 112 B12R1.279 C=CCC1=CC=CC(=N1)C(=O)C CNP0172116.0 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.279 O=C(O)C1=CN(CC=C1)CCO CNP0610893.0 [0,1,0,0,0,1|1,0,1]=4 115 B12R1.279 O=C(O)C1=CN([CH]C=C1)CCO CNP0549619.0 [0,1,0,0,0,1|1,0,1]=4 116 B12R1.279 O=C([O-])C1=CC=C[N+](=C1)CCO CNP0600719.0 [0,1,0,0,0,1|1,0,1]=4 117 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [0,1,0,0,0,1|2,0,0]=4 118 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,1,0,0,0,1|2,0,0]=4 121 B12R1.766 CCN1C(=CC(=C1Br)Br)C(=O)O CNP0375614.0 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.291 O=C(CO)C1=CC=CN1CCO CNP0428528.0 [0,2,0,0,0,0|0,0,0]=2 123 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,0,1,1,0,0|2,0,0]=4 124 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,0,1,1,0,0|2,0,0]=4 125 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,0,1,1,0,0|1,0,0]=3 126 B10R1.18 CC(=CC1=CC=CCC1)C CNP0608490.0 [0,0,1,1,0,0|2,0,0]=4 127 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,1,1,0,0|1,0,1]=4 128 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,1,1,0,0|0,0,2]=4 129 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,0,1,1,0,0|2,0,0]=4 130 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,0,1,1,0,0|2,0,0]=4 131 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,0,1,1,0,0|1,0,1]=4 132 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,0,1,1,0,0|0,0,2]=4 133 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,1,0,1|1,0,0]=3 135 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,0,0,1,0,1|2,0,0]=4 138 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,1,0,1|2,0,0]=4 139 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,1,0,1|2,0,0]=4 140 B12R2.1081 O=C1OCCC2=CC=NC=C12 CNP0118387.0 [0,0,0,1,0,1|2,0,0]=4 141 B12R2.1806 COC1=CC=CC2=C1C(=O)C2 CNP0108126.0 [0,0,0,1,0,1|2,0,0]=4 142 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,0,0,1,0,1|1,0,0]=3 143 B12R2.2028 C[C@@H]1CC(=O)C2=CC=NC=C12 CNP0213370.1 [0,0,0,1,0,1|1,0,0]=3 144 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,0,0,1,0,1|1,0,0]=3 145 B12R2.2028 C[C@H]1CC(=O)C2=CC=NC=C12 CNP0213370.2 [0,0,0,1,0,1|1,0,0]=3 146 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,0,0,1,0,1|2,0,0]=4 147 B12R2.82 CC1=[N+](CCN2C1=CC=C2)C CNP0541552.0 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.82 O=C1C2=C(CC[C@H]1O)NC=C2 CNP0340577.1 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.221 CC1=NC=C(N2C1=CC=C2)C CNP0234183.0 [0,1,0,1,0,0|1,0,1]=4 150 B12R2.221 O=C1NC[C@@H](N2C1=CC=C2)O CNP0430739.1 [0,1,0,1,0,0|1,0,0]=3 151 B12R2.221 O=C1NC[C@H](N2C1=CC=C2)O CNP0430739.2 [0,1,0,1,0,0|1,0,0]=3 152 B12R2.196 CC1=CN=C2N1CCCC2=O CNP0577075.0 [0,1,0,1,0,0|1,0,0]=3 153 B12R2.196 CN1C=CC2=C1CCCC2=O CNP0047001.0 [0,1,0,1,0,0|2,0,0]=4 154 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,0,0,0,0,1|1,0,0]=3 155 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,0,0,0,0,1|1,0,1]=4 156 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,0,0,0,0,1|2,0,0]=4 157 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,0,0,0,0,1|2,0,0]=4 158 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,0,0,0,0,1|2,0,0]=4 159 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,0,0,0,0,1|1,0,0]=3 160 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,0,0,0,0,1|1,0,1]=4 161 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,0,0,0,0,1|2,0,0]=4 162 B10R1.31 CC(=O)C1=CC=C(O1)CO CNP0125876.0 [0,0,0,0,1,1|2,0,0]=4 163 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [0,0,0,0,1,1|2,0,0]=4 164 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,0,0,0,0,2|1,0,0]=3 165 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,0,0,0,0,2|1,0,0]=3 166 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,0,0,0,0,2|2,0,0]=4 167 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,0,0,0,0,2|2,0,0]=4 168 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,0,0,0,0,2|2,0,0]=4 169 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [0,0,0,0,0,2|1,0,0]=3