0 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,0,0|0,0,0]=0 3 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,0,0|0,1,0]=1 4 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,0,0|2,0,2]=4 5 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,0,0|0,0,2]=2 6 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,0,0|0,1,2]=3 7 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,0,0|1,1,0]=2 10 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,0,0|2,1,0]=3 11 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,0,0|1,1,2]=4 12 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,0,0|2,1,1]=4 17 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,0,0,0|0,0,4]=4 18 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,0,0|4,0,0]=4 19 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,0,0|2,1,0]=3 23 B7R1.4 CN1N=NN=C1S CNP0474600.0 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,0,0,0|0,1,3]=4 25 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,0,0,0|0,1,3]=4 26 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,0,0|2,1,0]=3 27 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,0,0|2,1,1]=4 28 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,0,0,0|1,1,1]=3 29 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,0,0|1,1,0]=2 30 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,1]=3 31 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 32 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,0]=2 33 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|0,0,0]=1 34 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|0,1,0]=2 35 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,2]=4 36 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|0,1,2]=4 37 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|1,0,2]=4 38 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|1,1,1]=4 39 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|1,1,0]=3 41 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|2,1,0]=4 42 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|3,0,0]=4 45 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|1,0,0]=2 46 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|1,0,2]=4 47 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|1,1,0]=3 48 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|3,0,0]=4 50 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|1,1,0]=3 51 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|1,0,2]=4 54 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|0,1,2]=4 55 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|1,1,1]=4 60 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|1,1,1]=4 61 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,0,0|3,0,0]=4 62 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|2,1,0]=4 64 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|2,0,0]=3 66 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|2,1,0]=4 68 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|1,1,1]=4 71 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|2,1,0]=4 73 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|1,1,0]=3 75 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|1,0,1]=3 76 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|1,0,0]=2 78 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,0,0|1,1,0]=3 79 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|1,1,1]=4 80 B6R1.2 S=S1NC=CO1 CNP0538348.0 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|1,1,0]=3 82 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|0,1,0]=2 83 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|1,1,1]=4 86 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,0,0|2,1,0]=4 88 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,0,0,0|1,1,1]=4 89 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,0,0,0|1,1,1]=4 90 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,0,0|2,1,0]=4 91 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,0,0,0|1,1,1]=4 92 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,0,0|0,0,0]=1 93 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,0,0,0|1,1,1]=4 94 B8R1.18 BrC1=CC(=C(N1)Br)Br CNP0425193.0 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,0,0|1,1,0]=3 97 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,0,0|2,1,0]=4 98 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,0,0|0,0,0]=1 101 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,0,0|2,1,0]=4 103 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,0,0|2,1,0]=4 109 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,0,0,0|1,1,1]=4 110 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,0,0,0|0,1,1]=3 111 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,0,0,0|0,1,1]=3 112 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,0,0,0|0,1,2]=4 113 B8R1.18 O=C1C=C(C(=O)N1)Br CNP0104393.0 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,1,0,0,0,0|1,1,1]=4 116 B8R1.50 BrC1=CNC(=C1Br)Br CNP0184637.0 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,0,0,0|1,1,1]=4 118 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,0,0|1,1,1]=4 120 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,0,0,0|0,1,1]=3 121 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,0,0|0,2,1]=4 122 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,0,0|0,1,1]=3 123 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,0,0|2,0,0]=3 124 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|1,1,1]=4 125 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|1,1,1]=4 126 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,1,0,0,0,0|0,1,2]=4 127 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,0,0,0|1,1,1]=4 128 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,0,0|2,1,0]=4 129 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,1,0,0,0,0|1,1,1]=4 130 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,1,0,0,0,0|1,1,0]=3 131 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|2,0,0]=3 132 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|1,1,1]=4 133 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,1,0,0,0|1,1,1]=4 134 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|1,1,1]=4 136 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,1,0,0,0|2,1,0]=4 137 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,1,0,0,0|2,1,0]=4 138 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,1,0,0,0|2,1,0]=4 139 B6R0.1 COC(=O)C=NO CNP0235637.0 [0,0,1,0,0,0|2,1,0]=4 140 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,1,0,0,0|2,0,1]=4 141 B6R0.3 C=C(Cl)C(=O)OC CNP0115457.0 [0,0,1,0,0,0|2,0,1]=4 142 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [0,0,1,0,0,0|1,1,0]=3 143 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,1,0,0,0|1,1,1]=4 144 B6R0.3 C=C[C@@H](N)C(=O)O CNP0240520.1 [0,0,1,0,0,0|2,0,1]=4 145 B6R0.3 C=C[C@H](N)C(=O)O CNP0240520.2 [0,0,1,0,0,0|2,0,1]=4 146 B6R0.3 CC(=O)C(=CBr)Br CNP0164912.0 [0,0,1,0,0,0|2,0,1]=4 147 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,0,0|1,0,2]=4 148 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,1,0,0,0|2,0,1]=4 149 B6R0.3 CC=C(N)C(=O)O CNP0146934.0 [0,0,1,0,0,0|2,0,1]=4 150 B6R0.3 O=C(O)C(=CBr)Br CNP0109651.0 [0,0,1,0,0,0|3,0,0]=4 151 B6R0.3 O=C(O)C(=CCl)Cl CNP0278545.0 [0,0,1,0,0,0|3,0,0]=4 152 B6R0.3 O=C(O)C(=CI)I CNP0209094.0 [0,0,1,0,0,0|3,0,0]=4 153 B6R0.3 O=C(O)C(=CO)O CNP0197473.0 [0,0,1,0,0,0|2,1,0]=4 154 B6R0.3 O=CC(=O)C(=O)O CNP0106243.0 [0,0,1,0,0,0|2,1,0]=4 155 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|2,0,0]=3 156 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,1,0,0,0|2,0,1]=4 157 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|1,1,0]=3 158 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|2,0,1]=4 159 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|1,1,1]=4 160 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|3,0,0]=4 162 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|1,1,1]=4 163 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,1|1,1,0]=3 164 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,1|1,1,0]=3 165 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,1|0,1,0]=2 166 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,1|0,1,2]=4 167 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,1|2,0,0]=3 168 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,1|2,0,0]=3 169 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,1|2,0,0]=3 170 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,1|2,0,0]=3 171 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,1|1,1,0]=3 172 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,1|2,0,0]=3 173 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,1|2,0,0]=3 174 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,1|2,0,0]=3 175 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,0,0,0,0,1|2,1,0]=4 176 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,1|2,1,0]=4 180 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|2,0,1]=4 182 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,1|2,1,0]=4 184 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,0,0,0,0,1|2,1,0]=4 186 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,1|1,1,1]=4 187 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,1|1,1,1]=4 188 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,1|1,1,1]=4 189 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,0,0,1|3,0,0]=4 191 B8R1.4 N=C1C=CNC(=N)N1 CNP0079987.0 [0,0,0,0,0,1|3,0,0]=4 192 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,0,0,0,1|3,0,0]=4 193 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,0,0,0,1|2,1,0]=4 195 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,0,0,0,0,1|2,1,0]=4 199 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,0,0,0,0,1|2,1,0]=4 201 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,0,0,0,0,1|2,1,0]=4 202 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,0,0,1|1,1,0]=3 203 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,0,0,0,0,1|2,0,1]=4 204 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,0,0,0,0,1|2,1,0]=4 205 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,0,0,0,0,1|2,1,0]=4 206 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,0,0,1|2,1,0]=4 207 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,0,0,1|2,1,0]=4 208 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,0,0,0,0,1|2,1,0]=4 210 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,0,0,1|2,1,0]=4 211 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,1|1,1,0]=3 218 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,1|1,0,0]=2 219 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,1|3,0,0]=4 220 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,0,0,1|2,1,0]=4 221 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,1|2,0,0]=3 222 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,1|2,0,0]=3 226 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,0,0,0,0,1|2,1,0]=4 227 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,1|1,1,0]=3 228 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,1|2,0,0]=3 229 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,0,0,0,0,1|3,0,0]=4 231 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,0,0,0,1|3,0,0]=4 232 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,0,0,0,1|3,0,0]=4 233 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,0,0,1|2,1,0]=4 234 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,0,0,0,0,1|3,0,0]=4 237 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,0,0,0,1|2,1,0]=4 238 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,0,0,0,0,1|2,1,0]=4 239 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,0,0,0,0,1|2,1,0]=4 240 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,0,0,0,0,1|1,1,0]=3 241 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,0,0,0,1|2,1,0]=4 242 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,0,0,0,1|1,1,0]=3 243 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,0,0,1|2,1,0]=4 244 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,0,0,1|2,1,0]=4 245 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,0,0,1|2,1,0]=4 246 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,1|2,1,0]=4 247 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,1|2,1,0]=4 248 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,0,0,0,0,1|2,1,0]=4 249 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,0,0,1|2,1,0]=4 250 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [0,0,0,0,0,1|3,0,0]=4 252 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,1]=4 253 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,0]=3 254 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|0,0,2]=4 255 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|1,0,1]=4 256 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,1,0,0,0|0,0,2]=4 257 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|0,1,0]=3 258 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,1,0,0,0|0,0,2]=4 259 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|1,0,1]=4 260 B5R0.1 CC(=CCO)C CNP0241702.0 [1,0,1,0,0,0|1,0,1]=4 261 B5R0.1 CC(=O)C=NO CNP0397193.0 [1,0,1,0,0,0|1,1,0]=4 262 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.1 CC=CC(=N)S CNP0609462.0 [1,0,1,0,0,0|2,0,0]=4 264 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|0,0,2]=4 265 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|1,0,1]=4 266 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,0,1,0,0,0|2,0,0]=4 267 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,0,2]=4 268 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,0,2]=4 269 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|2,0,0]=4 270 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|2,0,0]=4 271 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|2,0,0]=4 272 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|1,0,1]=4 273 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,2]=4 274 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|1,0,1]=4 275 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|1,0,1]=4 276 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|0,0,2]=4 277 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|1,0,1]=4 278 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,1,0,0,0|0,0,2]=4 279 B5R0.2 CC=C=COC CNP0519318.0 [1,0,1,0,0,0|1,0,1]=4 280 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,0]=3 281 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 282 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|0,0,2]=4 283 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,2]=4 284 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|0,0,2]=4 285 B5R0.2 CCC=CSO CNP0458289.0 [1,0,1,0,0,0|1,0,1]=4 286 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,2]=4 287 B5R0.2 COC=COC CNP0416791.0 [1,0,1,0,0,0|2,0,0]=4 288 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|1,0,1]=4 289 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|1,0,0]=3 290 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|0,1,1]=4 291 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|1,0,1]=4 292 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,1,1]=4 293 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,1,0,0,0|1,0,1]=4 294 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|0,0,2]=4 295 B5R0.3 O=CC(=CO)O CNP0278717.0 [1,0,1,0,0,0|1,1,0]=4 296 B5R0.5 C=C(C)C(=C)C CNP0186706.0 [1,0,1,0,0,0|1,0,0]=3 297 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,1,0,0,0|0,1,1]=4 298 B5R0.5 C=C(C)C(=O)Cl CNP0281632.0 [1,0,1,0,0,0|1,1,0]=4 299 B5R0.5 C=C(C)C(=O)N CNP0186369.0 [1,0,1,0,0,0|1,1,0]=4 300 B5R0.5 C=C(C)C(=O)O CNP0147624.0 [1,0,1,0,0,0|1,1,0]=4 301 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,1,0,0,0|1,0,1]=4 302 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,1,0,0,0|1,0,1]=4 303 B5R0.5 C=C(Cl)C(=O)O CNP0239649.0 [1,0,1,0,0,0|2,0,0]=4 304 B5R0.5 C=C(N)C(=O)O CNP0224979.0 [1,0,1,0,0,0|2,0,0]=4 305 B5R0.5 C=C(O)C(=O)O CNP0422136.0 [1,0,1,0,0,0|1,1,0]=4 306 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,1,0,0,0|1,0,1]=4 307 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 308 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|0,0,2]=4 309 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,0]=3 310 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|2,0,0]=4 311 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 312 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|0,0,0]=2 313 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,0,2]=4 314 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,0,0]=3 315 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|0,1,0]=3 316 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,1,0]=4 317 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|2,0,0]=4 318 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [0,1,1,0,0,0|1,0,1]=4 319 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,1,0,0,0|1,0,1]=4 320 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.3 COC=CC(=O)OC CNP0398712.0 [0,1,1,0,0,0|1,1,0]=4 322 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,1,1,0,0,0|1,0,1]=4 323 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|2,0,0]=4 324 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,1,0,0,0|1,0,1]=4 325 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,1,1,0,0,0|2,0,0]=4 326 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|2,0,0]=4 327 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|1,1,0]=4 330 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|1,1,0]=4 331 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|1,1,0]=4 333 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|1,1,0]=4 334 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,1,0,0,0,0|0,0,1]=3 335 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,1,0,0,0,0|0,1,1]=4 336 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,1,0,0,0,0|0,0,0]=2 337 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,1,0,0,0,0|0,1,0]=3 338 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,1,0,0,0,0|1,0,0]=3 339 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,1,0,0,0,0|1,1,0]=4 340 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,1,0,0,0,0|1,1,0]=4 341 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,1,0,0,0,0|2,0,0]=4 342 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,1,0,0,0,0|1,0,0]=3 343 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,1,0,0,0,0|0,1,0]=3 344 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,1,0,0,0,0|1,0,1]=4 345 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,1,0,0,0,0|0,1,0]=3 346 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [1,1,0,0,0,0|2,0,0]=4 347 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [1,1,0,0,0,0|1,0,1]=4 348 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,1,0,0,0,0|0,0,1]=3 349 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,1,0,0,0,0|0,1,1]=4 350 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,1,0,0,0,0|1,0,1]=4 351 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,1,0,0,0,0|0,0,1]=3 352 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,1,0,0,0,0|0,1,1]=4 353 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,1,0,0,0,0|0,1,0]=3 354 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,1,0,0,0,0|0,2,0]=4 355 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,1,0,0,0,0|0,0,0]=2 356 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,1,0,0,0,0|0,1,0]=3 357 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,1,0,0,0,0|0,1,0]=3 358 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,1,0,0,0,0|0,2,0]=4 359 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,1,0,0,0,0|0,0,0]=2 360 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,1,0,0,0,0|0,1,0]=3 361 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,1,0,0,0,0|0,0,1]=3 362 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|0,0,0]=2 363 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|0,1,0]=3 364 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|1,0,0]=3 365 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 366 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,1,0,0,0,0|0,0,1]=3 367 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,1,0,0,0,0|1,0,1]=4 368 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,1,0,0,0,0|1,0,1]=4 369 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|1,0,0]=3 370 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|0,0,0]=2 371 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|0,1,0]=3 372 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|0,0,1]=3 373 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|1,0,0]=3 376 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,1,0,0,0,0|1,1,0]=4 377 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,1,0,0,0,0|2,0,0]=4 378 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|0,0,0]=2 380 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|0,1,0]=3 382 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,1,0,0,0,0|1,1,0]=4 383 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|1,0,0]=3 386 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,1,0,0,0,0|0,0,1]=3 387 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,1,0,0,0,0|0,0,2]=4 388 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,1,0,0,0,0|0,1,1]=4 389 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,1,0,0,0,0|2,0,0]=4 391 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,1,0,0,0,0|1,0,0]=3 392 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [1,1,0,0,0,0|0,0,2]=4 393 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,1,0,0,1,0|1,1,0]=4 394 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,1|2,0,0]=4 395 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,1|1,1,0]=4 396 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,1|2,0,0]=4 398 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,1|1,1,0]=4 399 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|2,0,0]=4 400 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|2,0,0]=4 401 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,1|1,1,0]=4 402 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|2,0,0]=4 403 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|2,0,0]=4 404 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,1|1,1,0]=4 405 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|1,1,0]=4 406 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,1|1,1,0]=4 409 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,1|2,0,0]=4 410 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,1|1,1,0]=4 412 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,1|1,1,0]=4 413 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,1|1,1,0]=4 415 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,1|2,0,0]=4 416 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,1|1,0,0]=3 417 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,1|1,1,0]=4 418 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,1|0,1,0]=3 419 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,1|0,1,0]=3 420 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,0,0,1|1,1,0]=4 421 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,1,0,0,0,1|1,1,0]=4 422 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,1|1,1,0]=4 425 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,1|1,1,0]=4 427 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,1|1,1,0]=4 429 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,1|1,1,0]=4 431 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,1|2,0,0]=4 432 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,0,0,1|0,1,1]=4 433 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,1|2,0,0]=4 438 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,1|1,1,0]=4 440 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,1,0,0,0,1|1,1,0]=4 441 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,0,0,1|0,1,0]=3 443 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,0,0,1|0,1,0]=3 446 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,1|1,0,0]=3 447 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,1|0,0,1]=3 448 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,0,0,1|0,1,1]=4 449 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,0,0,1|0,1,1]=4 450 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,1|1,1,0]=4 455 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,1|1,1,0]=4 458 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,1|1,1,0]=4 461 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,1|0,1,0]=3 462 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,1|1,1,0]=4 463 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,1|1,1,0]=4 481 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,1|1,1,0]=4 482 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,1|2,0,0]=4 483 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,1|1,1,0]=4 489 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,1|2,0,0]=4 490 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,1|1,1,0]=4 494 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,1|1,1,0]=4 496 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,1|1,1,0]=4 497 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,1|1,1,0]=4 498 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,1|1,1,0]=4 499 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,1|2,0,0]=4 501 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,1|1,1,0]=4 503 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,1|2,0,0]=4 505 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,1|1,1,0]=4 506 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,1|2,0,0]=4 507 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,1|1,1,0]=4 508 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,1|2,0,0]=4 509 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,1|1,1,0]=4 510 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,1|1,1,0]=4 511 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,1|1,1,0]=4 512 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,1|1,1,0]=4 513 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,1|0,1,0]=3 514 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,1|1,1,0]=4 515 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,1|1,1,0]=4 516 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,1|1,1,0]=4 517 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,1|1,0,0]=3 518 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,1|1,1,0]=4 520 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,1|0,1,1]=4 521 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,1|1,1,0]=4 522 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,1|1,1,0]=4 523 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,1|2,0,0]=4 525 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [0,2,0,0,0,0|0,1,1]=4 526 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,2,0,0,0,0|1,0,1]=4 527 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,2,0,0,0,0|1,0,1]=4 528 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,2,0,0,0,0|0,0,0]=2 531 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,2,0,0,0,0|1,0,1]=4 532 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,2,0,0,0,0|0,1,1]=4 533 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|1,1,0]=4 534 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,2,0,0,0,0|1,1,0]=4 535 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [0,2,0,0,0,0|0,0,0]=2 536 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|1,0,0]=3 537 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,2,0,0,0,0|0,1,0]=3 538 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,2,0,0,0,0|1,1,0]=4 539 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,2,0,0,0,0|0,1,0]=3 540 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,2,0,0,0,0|1,0,1]=4 541 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,2,0,0,0,0|1,0,1]=4 542 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|1,1,0]=4 543 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|1,1,0]=4 544 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|2,0,0]=4 545 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,2,0,0,0,0|2,0,0]=4 546 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,2,0,0,0,0|0,1,0]=3 547 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,2,0,0,0,0|2,0,0]=4 548 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,2,0,0,0,0|2,0,0]=4 549 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,2,0,0,0,0|1,0,1]=4 550 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,2,0,0,0,0|1,0,1]=4 551 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,2,0,0,0,0|1,0,1]=4 552 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,2,0,0,0,0|0,1,1]=4 553 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,2,0,0,0,0|0,1,1]=4 554 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,2,0,0,0,0|1,0,1]=4 555 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,2,0,0,0,0|2,0,0]=4 557 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,1,1,0,0|2,0,0]=4 558 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,1,1,0,0|2,0,0]=4 559 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [0,0,1,1,0,0|2,0,0]=4 560 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,1,1,0,0|2,0,0]=4 561 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [0,0,1,1,0,0|2,0,0]=4 562 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,1,1,0,0|2,0,0]=4 563 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [0,0,1,1,0,0|0,1,1]=4 564 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [0,0,1,1,0,0|1,0,1]=4 565 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,1,1,0,0|2,0,0]=4 566 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|2,0,0]=4 567 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|0,0,0]=2 568 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,1|2,0,0]=4 569 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,1|2,0,0]=4 570 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,2|2,0,0]=4