0 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,0,0,0,0,0|1,0,3]=4 7 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,0,0,0,0|1,0,0]=1 8 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,0,0,0,0|0,0,0]=0 9 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,0,0,0,0,0|0,0,2]=2 10 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,0,0,0,0,0|0,0,2]=2 12 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,0,0,0,0,0|0,0,4]=4 16 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,0,0,0,0,0|0,0,4]=4 17 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,0,0,0,0,0|1,0,3]=4 18 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,0,0,0,0,0|1,0,3]=4 21 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,0,0,0,0|0,0,0]=1 22 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,0,0,0,0,0|1,0,2]=4 23 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CC=CCS(=S)O CNP0514093.0 [1,0,0,0,0,0|1,1,1]=4 31 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,0,0,0,0,0|0,0,1]=2 33 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,0,0,0,0,0|0,0,3]=4 35 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,0,0,0,0,0|0,0,3]=4 36 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,0,0,0,0,0|1,0,2]=4 42 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,0,0,0,0|1,0,2]=4 48 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,0,0,0,0|1,0,0]=2 49 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,2]=4 50 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.6 CC#CC=CCO CNP0610509.0 [1,0,0,0,0,0|0,0,3]=4 52 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,0,0,0,0|0,0,0]=1 53 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,0,0,0,0|0,0,1]=2 55 B6R0.6 CC=CCCC=O CNP0056069.0 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|0,0,3]=4 57 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,0,0,0,0|0,0,2]=3 60 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,3]=4 62 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|0,0,2]=3 63 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,3]=4 64 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,2]=4 65 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,3]=4 66 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,1,0,0,0,0|0,0,2]=3 67 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,1,0,0,0,0|0,0,2]=3 68 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,1,0,0,0,0|0,0,2]=3 71 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|0,0,3]=4 72 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,1,0,0,0,0|1,0,2]=4 74 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,0,0,0,0|0,0,0]=1 76 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,1,0,0,0,0|0,0,2]=3 77 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,1,0,0,0,0|1,0,2]=4 78 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,1,0,0,0,0|0,0,2]=3 79 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,1,0,0,0,0|1,0,2]=4 81 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,1,0,0,0,0|1,0,2]=4 82 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,0,0,0,0|2,0,0]=3 84 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,0,0,0,0|1,0,0]=2 85 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,1,0,0,0,0|1,0,2]=4 86 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,1,0,0,0,0|0,0,2]=3 87 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,0,0,0,0|1,0,0]=2 88 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,1,0,0,0,0|1,0,2]=4 90 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,1,0,0,0,0|1,0,2]=4 93 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|0,0,2]=3 94 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,1,0,0,0,0|0,0,2]=3 95 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,1,0,0,0,0|1,0,2]=4 96 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,1,0,0,0,0|0,0,2]=3 98 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,1,0,0,0,0|0,0,2]=3 99 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,0,0,0,0|0,0,0]=1 100 B8R0.8 CC=CCC(=O)C(=O)O CNP0039231.0 [0,1,0,0,0,0|0,0,1]=2 101 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,1,0,0,0,0|1,0,2]=4 102 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,1,0,0,0,0|0,0,2]=3 103 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,1,0,0,0,0|0,0,3]=4 104 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,1,0,0,0,0|1,0,1]=3 105 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.8 N[C@@H](C/C=C/Cl)C(=O)O CNP0123957.2 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.8 N[C@@H](C/C=C\Cl)C(=O)O CNP0123957.1 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,0,0,0,0|2,0,0]=3 110 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.9 C=CC(=O)NCC(=O)O CNP0077507.0 [0,1,0,0,0,0|1,0,2]=4 112 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.9 CC=C(C)COC(=O)C CNP0535362.0 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,1,0,0,0,0|0,0,2]=3 116 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,1,0,0,0,0|1,0,1]=3 117 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,1,0,0,0,0|0,0,3]=4 118 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,1,0,0,0,0|1,0,2]=4 119 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,1,0,0,0,0|1,0,2]=4 120 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,1,0,0,0,0|0,0,2]=3 121 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,1,0,0,0,0|0,0,2]=3 122 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,1,0,0,0,0|0,0,2]=3 123 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,1,0,0,0,0|0,0,2]=3 124 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,1,0,0,0,0|2,0,0]=3 125 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,1,0,0,0,0|1,0,0]=2 126 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.9 O=CC(=O)CCC(=O)O CNP0115864.0 [0,1,0,0,0,0|1,0,2]=4 128 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.28 CC(=CCC=C(C)C)C CNP0564316.0 [0,1,0,0,0,0|2,0,1]=4 131 B8R0.28 CC(=CCNC(=O)N)C CNP0278805.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.28 CC(=O)C#CC=C(C)C CNP0173705.0 [0,1,0,0,0,0|1,0,2]=4 133 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,0,0,0,0|1,0,0]=2 134 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,1,0,0,0,0|1,0,2]=4 135 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,1,0,0,0,0|1,0,2]=4 136 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [0,1,0,0,0,0|0,0,3]=4 137 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.28 CC(=O)OCC=C(C)C CNP0164397.0 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.28 CC(=O)SCC=C(C)C CNP0138994.0 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,1,0,0,0,0|0,0,2]=3 142 B8R0.28 N=C(N)SC=CC(=O)O CNP0031971.0 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.28 NC(=O)NC=CC(=O)O CNP0395039.0 [0,1,0,0,0,0|2,0,0]=3 144 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,1,0,0,0,0|1,0,1]=3 145 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,0,0,1,0,0|3,0,0]=4 146 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,0,1,0,0|2,1,0]=4 150 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,1,0,0|0,0,0]=1 151 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,0,1,0,0|1,0,1]=3 152 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,0,0,1,0,0|1,1,1]=4 153 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,0,0,1,0,0|0,0,2]=3 154 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,0,0,1,0,0|0,0,2]=3 157 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,0,1,0,0|2,0,0]=3 159 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,0,0,1,0,0|2,1,0]=4 160 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,0,0,1,0,0|1,0,2]=4 163 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,0,0,1,0,0|1,0,1]=3 164 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,1,0,0|2,0,0]=3 166 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,1,0,0|2,0,0]=3 167 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,1,0,0|2,0,0]=3 168 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,1,0,0|2,0,0]=3 169 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,1,0,0|2,0,0]=3 172 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,1,0,0|3,0,0]=4 178 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|1,0,2]=4 183 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,1,0,0|2,0,1]=4 187 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|1,0,2]=4 188 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|0,0,2]=3 189 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|0,0,2]=3 190 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,0,1,0,0|3,0,0]=4 193 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,0,0,1,0,0|3,0,0]=4 203 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,0,0,1,0,0|2,0,0]=3 204 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,1,0,0|3,0,0]=4 210 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,0,1,0,0|2,0,0]=3 213 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,0,0,1,0,0|2,0,1]=4 215 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,0,0,1,0,0|2,0,1]=4 220 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,0,0,1,0,0|2,0,0]=3 222 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [0,0,0,1,0,0|3,0,0]=4 225 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [0,0,0,1,0,0|3,0,0]=4 226 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,0,1,0,0|1,0,0]=2 228 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,0,1,0,0|1,0,0]=2 229 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [0,0,0,1,0,0|1,0,1]=3 233 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [0,0,0,1,0,0|1,0,1]=3 235 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [0,0,0,1,0,0|2,0,0]=3 236 B8R1.7 O=C(O)C1=CSN=N1 CNP0448076.0 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,1,0,0|1,0,2]=4 238 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,1,0,0|1,0,1]=3 241 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,1,0,0|0,0,2]=3 242 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,1,0,0|1,0,2]=4 243 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,0,1,0,0|1,0,1]=3 245 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 246 B8R1.72 O=S1(=O)C=CC=CN1 CNP0480908.0 [0,0,0,1,0,0|2,0,1]=4 247 B5R0.1 C=C(C)C=CC CNP0348667.0 [2,0,0,0,0,0|2,0,0]=4 248 B5R0.1 C=CC=C(C)C CNP0130651.0 [2,0,0,0,0,0|2,0,0]=4 249 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|1,0,1]=4 250 B5R0.1 C=CCC(=O)N CNP0292806.0 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,1]=3 252 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|2,0,0]=4 253 B5R0.1 CC=CC(=N)S CNP0609462.0 [2,0,0,0,0,0|1,1,0]=4 254 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|1,0,0]=3 255 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 CC=CC(=O)N CNP0376163.0 [2,0,0,0,0,0|1,0,0]=3 257 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,0]=2 258 B5R0.1 CC=CC(=O)S CNP0128183.0 [2,0,0,0,0,0|0,1,0]=3 259 B5R0.1 CC=CC(=S)N CNP0219494.0 [2,0,0,0,0,0|1,1,0]=4 260 B5R0.1 CC=CC(C)O CNP0150168.0 [2,0,0,0,0,0|1,0,1]=4 261 B5R0.1 CC=CS(=S)O CNP0498878.0 [2,0,0,0,0,0|1,1,0]=4 262 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|1,0,1]=4 263 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,2]=4 264 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,1]=4 265 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,1]=4 266 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,1]=4 267 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,1]=4 271 B5R0.1 NC(=O)C=CI CNP0204270.0 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.1 O=C(O)C=CBr CNP0310992.0 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 O=C(O)C=CCl CNP0293481.0 [2,0,0,0,0,0|1,0,0]=3 274 B5R0.1 O=C(O)C=CI CNP0239582.0 [2,0,0,0,0,0|1,0,0]=3 275 B5R0.1 O=C(O)C=NO CNP0286362.0 [2,0,0,0,0,0|2,0,0]=4 276 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.2 C=C=CCC=O CNP0509236.0 [2,0,0,0,0,0|0,0,2]=4 278 B5R0.2 C=CC=CC=C CNP0612137.0 [2,0,0,0,0,0|0,0,1]=3 279 B5R0.2 C=CC=CC=O CNP0022566.0 [2,0,0,0,0,0|0,0,0]=2 280 B5R0.2 C=CC=CCC CNP0495438.0 [2,0,0,0,0,0|0,0,1]=3 281 B5R0.2 C=CCC=CC CNP0292090.0 [2,0,0,0,0,0|0,0,1]=3 282 B5R0.2 C=CCCC=O CNP0076959.0 [2,0,0,0,0,0|0,0,2]=4 283 B5R0.2 C=CCOC=O CNP0541341.0 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.2 CC=C=CCO CNP0426440.0 [2,0,0,0,0,0|0,0,2]=4 285 B5R0.2 CC=CC=CC CNP0611428.0 [2,0,0,0,0,0|0,0,1]=3 286 B5R0.2 CC=CCC=O CNP0167409.0 [2,0,0,0,0,0|0,0,1]=3 287 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,2]=4 288 B5R0.2 CCC=CC=O CNP0328747.0 [2,0,0,0,0,0|0,0,1]=3 289 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,2]=4 290 B5R0.2 CCC=CSO CNP0458289.0 [2,0,0,0,0,0|1,0,1]=4 291 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.2 O=CC=CCO CNP0112016.0 [2,0,0,0,0,0|1,0,1]=4 293 B7R0.2 C=C[C@H](O)CC(=O)O CNP0357372.1 [1,1,0,0,0,0|0,0,2]=4 294 B7R0.2 CC=C(C)CC(=O)N CNP0143814.0 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.2 CC=C(C)CC(=O)O CNP0178168.0 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,1,0,0,0,0|0,0,1]=3 298 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|0,0,2]=4 299 B7R0.2 CNC(=O)NC(=O)O CNP0113940.0 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,1,0,0,0,0|2,0,0]=4 301 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 302 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,1,0,0,0,0|2,0,0]=4 303 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|0,0,2]=4 304 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,1,0,0,0,0|2,0,0]=4 305 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,1,0,0,0,0|2,0,0]=4 307 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [1,1,0,0,0,0|0,0,1]=3 310 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,1,0,0,0,0|0,0,0]=2 311 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,1,0,0,0,0|0,0,2]=4 312 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [1,1,0,0,0,0|0,0,2]=4 313 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [1,1,0,0,0,0|0,0,2]=4 314 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,1,0,0,0,0|0,0,0]=2 317 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,1,0,0,0,0|0,0,1]=3 318 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,1,0,0,0,0|0,0,1]=3 319 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|0,0,2]=4 320 B7R0.5 O=CCC(=O)C(=O)O CNP0065471.0 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.6 CC(=CC=C(C)C)C CNP0084726.0 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [1,1,0,0,0,0|0,0,1]=3 323 B7R0.6 CC(=O)C=CC(=O)C CNP0303603.0 [1,1,0,0,0,0|1,0,0]=3 324 B7R0.6 CC(=O)C=CC(=O)O CNP0237218.0 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [1,1,0,0,0,0|1,0,1]=4 326 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [1,1,0,0,0,0|0,0,2]=4 327 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [1,1,0,0,0,0|1,0,1]=4 328 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [1,1,0,0,0,0|0,0,1]=3 330 B7R0.6 N=C(N)C=CC(=O)O CNP0421555.0 [1,1,0,0,0,0|1,0,0]=3 331 B7R0.6 N=C(O)C=CC(=O)O CNP0546682.0 [1,1,0,0,0,0|1,0,0]=3 332 B7R0.6 NC(=CC=C(N)O)O CNP0445751.0 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.6 NC(=O)C=CC(=O)N CNP0214096.0 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.6 NC(=O)C=CC(=O)O CNP0299428.0 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.6 O=C(O)C=CC(=O)O CNP0289193.0 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.6 O=C([O-])C=CC(=O)O CNP0594402.0 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0497869.0 [1,1,0,0,0,0|1,0,1]=4 338 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0507497.0 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0533924.0 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0554203.0 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.6 O=C([O-])C=CC(=O)[O-] CNP0574790.0 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.8 CC=COS(=O)(=S)O CNP0495659.0 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.8 CC=CSS(=O)(=O)O CNP0080223.0 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,1,0,0,0,0|1,0,0]=3 346 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,1,0,0,0,0|0,0,1]=3 349 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.1 CC=CSSC=CC CNP0204440.0 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,1,0,0,0,0|0,0,0]=2 352 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,1,0,0,0,0|0,0,1]=3 354 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|0,0,2]=4 355 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,1,0,0,0,0|0,0,1]=3 356 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|0,0,2]=4 357 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,1,0,0,0,0|0,0,2]=4 358 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,1,0,0,0,0|0,0,1]=3 359 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,1,0,0,0,0|0,0,0]=2 360 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,1,0,0,0,0|0,0,0]=2 361 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,2,0,0,0,0|0,0,2]=4 362 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,2,0,0,0,0|0,0,2]=4 363 B9R0.23 COC(=O)C(=CC(=O)O)C CNP0215692.0 [0,2,0,0,0,0|1,0,0]=3 364 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [0,2,0,0,0,0|2,0,0]=4 365 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.53 CC(=CC(=O)C=C(C)C)C CNP0357459.0 [0,2,0,0,0,0|2,0,0]=4 367 B9R0.53 CC(=CC(=O)O)CC(=O)O CNP0273372.0 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.53 CC(=O)C=C(C)OC(=O)C CNP0367502.0 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.53 CC(=O)C=C(O)C=C(O)O CNP0479225.0 [0,2,0,0,0,0|0,0,1]=3 370 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,2,0,0,0,0|1,0,0]=3 372 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.1 CO[N+](=CC=CC(=O)O)[O-] CNP0535849.0 [0,2,0,0,0,0|1,0,0]=3 374 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,2,0,0,0,0|0,0,0]=2 375 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,2,0,0,0,0|0,0,0]=2 376 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|0,0,2]=4 378 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,2,0,0,0,0|0,0,2]=4 380 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,2,0,0,0,0|0,0,2]=4 381 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,2,0,0,0,0|1,0,0]=3 382 B9R0.24 O=C(C=CC(=O)OCl)OCl CNP0202607.0 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,2,0,0,0,0|1,0,0]=3 384 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,2,0,0,0,0|0,0,2]=4 385 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,2,0,0,0,0|0,0,2]=4 386 B9R0.47 C/C=C/SC[C@H](N)C(=O)O CNP0158331.1 [0,2,0,0,0,0|0,0,2]=4 387 B9R0.47 C/C=C\SC[C@H](N)C(=O)O CNP0158331.2 [0,2,0,0,0,0|0,0,2]=4 388 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,2,0,0,0,0|0,0,1]=3 389 B9R0.47 NC/C=C/C[C@H](N)C(=O)O CNP0332600.1 [0,2,0,0,0,0|0,0,2]=4 390 B9R0.2 CC=CC#CC#CC(=O)O CNP0114383.0 [0,2,0,0,0,0|0,0,2]=4 391 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,2,0,0,0,0|0,0,0]=2 392 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [0,2,0,0,0,0|0,0,0]=2 394 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,2,0,0,0,0|0,0,2]=4 395 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,2,0,0,0,0|1,0,0]=3 396 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,2,0,0,0,0|0,0,0]=2 397 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|0,0,2]=4 398 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|0,0,2]=4 399 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,2,0,0,0,0|0,0,2]=4 400 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,2,0,0,0,0|2,0,0]=4 401 B9R0.48 CCOC(=O)C=CC(=O)O CNP0272269.0 [0,2,0,0,0,0|0,0,1]=3 402 B9R0.55 CC(=O)NCC=CC(=O)O CNP0164677.0 [0,2,0,0,0,0|0,0,1]=3 403 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,2,0,0,0,0|0,0,2]=4 404 B9R0.55 O=C(O)C=CC=CC(=O)O CNP0248591.0 [0,2,0,0,0,0|0,0,1]=3 405 B9R0.55 O=C(O)C=CCCC(=O)O CNP0419680.0 [0,2,0,0,0,0|1,0,1]=4 406 B9R0.55 O=C(O)CC=CCC(=O)O CNP0098647.0 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.7 C/C(=C/C[C@H](N)C(=O)O)/Cl CNP0126752.1 [0,2,0,0,0,0|0,0,2]=4 408 B9R0.7 CC(=CCC(=O)O)C(=O)O CNP0023661.0 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.7 CC(=CC[C@H](N)C(=O)O)C CNP0216742.1 [0,2,0,0,0,0|0,0,2]=4 410 B9R0.7 CC(=O)NN=C(C)C(=O)O CNP0443489.0 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.7 C[C@H](O)[C@@H](O)/C=C/C(=O)O CNP0206491.1 [0,2,0,0,0,0|0,0,2]=4 412 B9R0.7 C[S@@+]([O-])/C=C/[C@H](N)C(=O)O CNP0576276.1 [0,2,0,0,0,0|1,0,1]=4 413 B9R0.13 C/C=C/N[C@H](CS)C(=O)O CNP0077164.1 [0,2,0,0,0,0|1,0,1]=4 414 B9R0.42 C/C=C(/C)\C[C@H](N)C(=O)O CNP0271442.1 [0,2,0,0,0,0|0,0,2]=4 415 B9R0.42 C/C=C(\C)/C[C@H](N)C(=O)O CNP0271442.2 [0,2,0,0,0,0|0,0,2]=4 416 B9R0.42 C=C(CC(=O)OC)C(=O)O CNP0268165.0 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.42 CNC(=O)NC(=O)C(=O)O CNP0105144.0 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.43 CC=C(C=CC(=O)N)CC CNP0192720.0 [0,2,0,0,0,0|1,0,0]=3 419 B9R0.56 CC(=CC=CC(C)(C)O)C CNP0611988.0 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.56 C[N+](C)(C)CC=CC(=O)O CNP0058148.0 [0,2,0,0,0,0|1,0,1]=4 421 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,1,0,0|0,0,0]=2 422 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,1,0,0|1,1,0]=4 425 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,1]=3 426 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,1]=3 428 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,1,0,0|1,0,0]=3 431 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,1,0,0|2,0,0]=4 437 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,1,0,0|1,0,0]=3 442 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,1,0,0|0,0,0]=2 443 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [1,0,0,1,0,0|1,0,1]=4 446 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 451 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,1,0,0|1,0,1]=4 456 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,1,0,0|1,1,0]=4 457 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,1,0,0|1,1,0]=4 458 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.12 CC1=N[C@H]1C(=O)O CNP0318344.1 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,1,0,0|0,0,1]=3 461 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,1,0,0|0,1,1]=4 462 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,1,0,0|0,0,1]=3 463 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,1,0,0|0,1,1]=4 464 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,1,0,0|1,0,0]=3 468 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,1,0,0|1,0,1]=4 470 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,1,0,0|1,0,1]=4 471 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,1,0,0|1,0,1]=4 472 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,1,0,0|1,0,1]=4 473 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,1,0,0|1,0,1]=4 474 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,1,0,0|1,0,1]=4 475 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,1,0,0|1,1,0]=4 476 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,1,0,0|1,1,0]=4 477 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|1,0,1]=4 481 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,0,0,1,0,0|2,0,0]=4 485 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [1,0,0,1,0,0|1,0,0]=3 487 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [1,0,0,1,0,0|1,0,1]=4 488 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,1,0,1,0,0|2,0,0]=4 489 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,1,0,1,0,0|0,0,0]=2 491 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,1,0,1,0,0|2,0,0]=4 494 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.13 O=C(O)CC1=CN=CN1 CNP0253943.0 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.13 O=C(O)CC1=CNC=N1 CNP0530503.0 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,1,0,1,0,0|0,0,2]=4 498 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,1,0,1,0,0|0,0,2]=4 499 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,1,0,1,0,0|0,0,2]=4 500 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,1,0,1,0,0|1,0,0]=3 502 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,1,0,1,0,0|2,0,0]=4 504 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,1,0,0|2,0,0]=4 505 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,1,0,1,0,0|2,0,0]=4 506 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,1,0,0|2,0,0]=4 507 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,1,0,0|2,0,0]=4 508 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,1,0,0|1,1,0]=4 511 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,1,0,0|0,0,0]=2 512 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,1,0,0|2,0,0]=4 513 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,1,0,1,0,0|2,0,0]=4 514 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,1,0,0|0,0,1]=3 515 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,1,0,0|0,0,0]=2 516 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,1,0,0|0,0,2]=4 518 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,1,0,0|0,0,2]=4 519 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [0,1,0,1,0,0|2,0,0]=4 520 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [0,1,0,1,0,0|2,0,0]=4 521 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,1,0,1,0,0|0,0,1]=3 522 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,1,0,1,0,0|0,0,0]=2 528 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,1,0,1,0,0|0,0,0]=2 529 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,1,0,1,0,0|1,0,0]=3 530 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,1,0,1,0,0|0,0,0]=2 531 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,1,0,1,0,0|2,0,0]=4 532 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,1,0,1,0,0|1,0,0]=3 536 B9R1.41 C[C@@H]1C=CN[C@H]1C(=O)O CNP0506561.1 [0,1,0,1,0,0|0,0,2]=4 537 B9R1.41 NC(=O)C1=CNC=C1Br CNP0427935.0 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,1,0,1,0,0|1,0,0]=3 540 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,1,0,0|2,0,0]=4 549 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,1,0,0|1,0,0]=3 554 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,1,0,0|2,0,0]=4 557 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,1,0,0|2,0,0]=4 562 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [0,1,0,1,0,0|1,0,1]=4 564 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,1,0,1,0,0|1,0,1]=4 567 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,1,0,0|1,0,0]=3 569 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,1,0,0|1,0,0]=3 572 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,1,0,0|0,0,1]=3 583 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,1,0,0|1,1,0]=4 584 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,1,0,0|0,0,1]=3 585 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [0,1,0,1,0,0|2,0,0]=4 586 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,1,0,1,0,0|0,0,1]=3 593 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,1,0,0|0,0,2]=4 604 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,1,0,0|1,1,0]=4 605 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,1,0,0|1,0,0]=3 607 B9R1.21 C=CC1=CC=C(N1)C=O CNP0303853.0 [0,1,0,1,0,0|1,0,1]=4 608 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,1,0,1,0,0|0,0,1]=3 609 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,1,0,1,0,0|1,0,0]=3 610 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,1,0,1,0,0|1,0,1]=4 612 B9R1.21 O=CC1=CC=C(S1)C=O CNP0079373.0 [0,1,0,1,0,0|1,1,0]=4 613 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,1,0,0|1,0,1]=4 615 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,1,0,0|1,0,1]=4 616 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,1,0,0|1,0,1]=4 617 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,1,0,1,0,0|1,0,1]=4 620 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,1,0,1,0,0|1,0,1]=4 621 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,1,0,1,0,0|1,0,1]=4 622 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,1,0,1,0,0|1,0,1]=4 623 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,1,0,1,0,0|1,0,1]=4 625 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,1,0,1,0,0|1,0,1]=4 626 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,1,0,1,0,0|1,0,1]=4 627 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,1,0,1,0,0|0,0,1]=3 628 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,1,0,1,0,0|0,0,1]=3 629 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,1,0,1,0,0|0,0,1]=3 630 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,1,0,1,0,0|0,0,1]=3 631 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,1,0,1,0,0|0,0,2]=4 632 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,1,0,1,0,0|0,0,2]=4 633 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,1,0,1,0,0|0,0,2]=4 634 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,1,0,1,0,0|1,0,1]=4 636 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,1,0,1,0,0|0,0,2]=4 638 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,1,0,1,0,0|0,0,2]=4 639 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,1,0,1,0,0|0,0,2]=4 640 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,1,0,1,0,0|0,1,1]=4 641 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,1,0,1,0,0|0,0,2]=4 642 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,1,0,1,0,0|0,0,2]=4 643 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,1,0,1,0,0|0,0,2]=4 644 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,1,0,1,0,0|0,0,2]=4 645 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,1,0,1,0,0|0,0,2]=4 646 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,1,0,1,0,0|0,0,1]=3 647 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,1,0,1,0,0|1,0,1]=4 648 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,1,0,1,0,0|1,0,1]=4 650 B9R1.96 C/C=C/1\CN[C@@H]1C(=O)O CNP0331255.2 [0,1,0,1,0,0|0,0,2]=4 651 B9R1.96 C/C=C\1/CN[C@@H]1C(=O)O CNP0331255.1 [0,1,0,1,0,0|0,0,2]=4 652 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,1,0,1,0,0|1,0,0]=3 655 B9R1.35 CC(=O)C1=CN(C=C1)C CNP0609118.0 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.35 CC(=O)C1=NC(=CS1)C CNP0322943.0 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,1,0,1,0,0|0,0,2]=4 659 B9R1.35 CC1=CC(=CO1)C(=O)O CNP0306402.0 [0,1,0,1,0,0|1,0,0]=3 660 B9R1.35 CC1=CC(=NO1)C(=O)O CNP0309988.0 [0,1,0,1,0,0|2,0,0]=4 661 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,1,0,1,0,0|0,0,0]=2 662 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,1,0,1,0,0|1,0,1]=4 663 B9R1.35 CC1=CN(N=C1)C(=O)O CNP0600504.0 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.35 CC1=CNC(=C1)C(=O)O CNP0109431.0 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.35 CC1=NC=C(N1)C(=O)O CNP0443494.0 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.35 CC1=NN(C=C1)C(=O)N CNP0055854.0 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,1,0,1,0,0|0,0,2]=4 669 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,1,0,1,0,0|0,0,2]=4 670 B9R1.35 NC(=O)C1=CC(=CN1)Br CNP0149276.0 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.35 NC(=O)C1=CC=C(N1)Br CNP0307809.0 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.35 NC(=O)C1=CC=C(S1)Br CNP0540435.0 [0,1,0,1,0,0|2,0,0]=4 673 B9R1.35 O=C(O)C1=CC(=CN1)Br CNP0268142.0 [0,1,0,1,0,0|1,0,0]=3 674 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,1,0,0|1,0,0]=3 675 B9R1.35 O=C(O)C1=CC=C(N1)Br CNP0435630.0 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.35 O=C(O)C1=CNC(=O)N1 CNP0228864.0 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.35 O=C1CC=C(N1)C(=O)O CNP0530811.0 [0,1,0,1,0,0|1,0,1]=4 679 B9R1.35 O=C1N=CC(=N1)C(=O)O CNP0147589.0 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,2]=4 681 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,1,0,0|1,0,0]=3 687 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,1,0,0|1,0,0]=3 690 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,1,0,0|2,0,0]=4 697 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,1,0,0|2,0,0]=4 699 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,1,0,0|2,0,0]=4 700 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,1,0,0|1,0,0]=3 710 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,1,0,0|1,0,0]=3 711 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|0,0,2]=4 722 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|0,0,2]=4 723 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|0,0,2]=4 724 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.163 CC1(CC=CO1)C(=O)O CNP0547644.0 [0,1,0,1,0,0|1,0,1]=4 733 B9R1.125 C=CC1(C=CC(=O)O1)C CNP0559463.0 [0,1,0,1,0,0|0,0,2]=4