0 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,0,0|0,1,3]=4 3 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,0,0,0|0,2,1]=3 5 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,0,0,0|0,1,1]=2 6 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,0,0|1,0,3]=4 7 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,0,0|1,0,1]=2 9 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,0,0|2,0,1]=3 11 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,0,0,0|2,0,0]=2 12 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,0,0,0|0,1,2]=3 13 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,0,0,0|0,2,1]=3 14 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,0,0,0|0,0,0]=0 15 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,0,0,0|0,0,2]=2 16 B7R1.4 CC1SCCC1S CNP0002610.0 [0,0,0,0,0,0|0,1,1]=2 17 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,0,0,0|2,0,0]=2 19 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,0,0,0|3,1,0]=4 20 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,0,0,0|1,0,0]=1 21 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,0,0,0|1,0,2]=3 24 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,0,0,0|0,1,0]=1 27 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,0,0,0|2,0,1]=3 29 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,0,0,0|0,1,0]=1 31 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,0,0,0|3,0,0]=3 32 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,0,0,0|4,0,0]=4 33 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,0,0,0|4,0,0]=4 36 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,0,0|2,0,2]=4 37 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,0,0,0|3,0,1]=4 42 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,0,0,0|2,0,2]=4 43 B7R1.4 SC1CCCC1S CNP0098071.0 [0,0,0,0,0,0|2,1,1]=4 44 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|0,0,3]=4 47 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,1]=3 48 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|0,0,1]=2 49 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|1,1,1]=4 50 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|1,0,1]=3 51 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|1,0,2]=4 52 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|1,1,1]=4 54 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|2,0,1]=4 55 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|1,1,1]=4 56 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,0,0,0|1,0,1]=3 57 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|0,0,3]=4 60 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,0,0,0|1,0,1]=3 61 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,0,0,0|0,1,1]=3 62 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,0,0,0|1,1,0]=3 63 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,0,0,0|1,0,0]=2 64 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,0,0,0|2,0,1]=4 65 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|1,0,1]=3 67 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,0,0,0|1,0,1]=3 68 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,0,0,0|1,0,1]=3 69 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|1,0,1]=3 70 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,0,0,0|1,0,0]=2 71 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 NC1=NCCS1 CNP0490176.0 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|1,0,1]=3 75 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,0,0,0|1,0,0]=2 78 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,0,0,0|2,0,0]=3 79 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,0,0|2,0,0]=3 80 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,0,0,0|0,1,0]=2 83 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,0,0,0|1,1,0]=3 84 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,0,0,0|0,0,0]=1 85 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,0,0,0|2,0,1]=4 88 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,0,0,0|1,1,1]=4 89 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,0,0,0|1,0,2]=4 90 B6R1.2 OC1CSSC1 CNP0317557.0 [1,0,0,0,0,0|1,0,2]=4 91 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,0,0,0|1,1,1]=4 92 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,0,0,0|1,0,1]=3 93 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 [O-][S+]1CSSC1 CNP0506954.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 [O-][S@+]1CSCS1 CNP0581645.1 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 [O-][S@@+]1CSCS1 CNP0581645.2 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 [O-][S@H+]1CSCS1 CNP0533797.1 [1,0,0,0,0,0|2,0,1]=4 98 B6R1.2 [O-][SH+]1CSSC1 CNP0541582.0 [1,0,0,0,0,0|2,0,1]=4 99 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,0,0|2,0,1]=4 102 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,0,0,0|1,0,0]=2 104 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,0,0,0|0,0,0]=1 105 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,0,0,0|1,0,2]=4 106 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,0,0,0|1,0,2]=4 108 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,0,0,0|2,0,0]=3 109 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,0,0,0|2,0,1]=4 110 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,1,0,0,0,0|1,0,2]=4 113 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.18 CC1=C[C@H](NC1=O)O CNP0240241.1 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,0,0,0|2,0,1]=4 117 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,0,0,0|2,1,0]=4 118 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,0,0,0|2,0,0]=3 119 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,0,0,0|2,0,1]=4 123 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,0,0,0|2,0,0]=3 125 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,0,0,0|3,0,0]=4 126 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,0,0,0|0,1,1]=3 130 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,0,0,0|1,0,0]=2 131 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,0,0,0|1,0,2]=4 132 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,0,0,0|1,0,2]=4 133 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,0,0,0|0,1,0]=2 135 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,0,0|0,0,3]=4 139 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,0,0|0,1,2]=4 140 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|1,0,1]=3 142 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|1,0,1]=3 143 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,0,0,0|1,0,0]=2 145 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,0,0,0|2,0,0]=3 149 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,0,0,0|2,0,0]=3 150 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,0,0,0|2,0,0]=3 151 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,0,0,0|2,0,1]=4 154 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,0,0,0|1,0,1]=3 157 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,0,0,0|2,0,1]=4 160 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,0,0,0|3,0,0]=4 162 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,0,0,0|3,0,0]=4 165 B6R0.1 C=C(CO)CCO CNP0082069.0 [0,0,1,0,0,0|2,1,0]=4 166 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,1,0,0,0|2,0,1]=4 167 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,1,0,0,0|1,0,2]=4 168 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,1,0,0,0|1,0,1]=3 169 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,1,0,0,0|1,0,2]=4 170 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,1,0,0,0|3,0,0]=4 171 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|1,0,2]=4 172 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,1,0,0,0|2,0,1]=4 173 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,1,0,0,0|2,0,0]=3 174 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,1,0,0,0|2,0,1]=4 175 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,1,0,0,0|1,0,1]=3 176 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,1,0,0,0|2,0,1]=4 177 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,1,0,0,0|2,0,1]=4 178 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,1,0,0,0|1,0,0]=2 179 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,1,0,0,0|2,0,0]=3 180 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,1,0,0,0|2,0,0]=3 182 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,1,0,0,0|2,0,1]=4 183 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,1,0,0,0|1,0,0]=2 184 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,1,0,0,0|2,0,1]=4 185 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,1,0,0,0|3,0,0]=4 187 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,1,0,0,0|1,0,2]=4 190 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,1,0,0,0|3,0,0]=4 191 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,1,0,0,0|1,0,2]=4 192 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,1,0,0,0|2,0,0]=3 193 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,1,0,0,0|1,1,1]=4 195 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,1,0,0,0|2,0,0]=3 196 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,1,0,0,0|3,0,0]=4 197 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,1,0,0,0|3,0,0]=4 198 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,1,0,0,0|1,1,1]=4 199 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,1,0,0,0|2,1,0]=4 200 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,1,0,0,0|1,1,1]=4 201 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,1,0,0,0|2,0,0]=3 202 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,1,0,0,0|2,0,0]=3 203 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,1,0,0,0|1,1,1]=4 205 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,1,0,0,0|2,0,1]=4 206 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,1,0,0,0|1,1,1]=4 207 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,1,0,0,0|3,0,0]=4 208 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,0,1,0,0,0|1,1,1]=4 209 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,1,0,0,0|3,0,0]=4 210 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,1,0,0,0|3,0,0]=4 211 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,1,0,0,0|1,1,1]=4 212 B6R0.3 C=C(C)C(=O)OC CNP0278102.0 [0,0,1,0,0,0|2,0,1]=4 213 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [0,0,1,0,0,0|2,0,0]=3 214 B6R0.3 C=CC(=O)C(C)C CNP0350661.0 [0,0,1,0,0,0|1,0,2]=4 215 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,1,0,0,0|2,0,1]=4 216 B6R0.3 CC(=O)C(C)C#N CNP0503071.0 [0,0,1,0,0,0|2,0,0]=3 217 B6R0.3 CC(Br)C(=O)CBr CNP0435945.0 [0,0,1,0,0,0|2,0,0]=3 218 B6R0.3 CC(C)C(=O)C#N CNP0344819.0 [0,0,1,0,0,0|2,0,1]=4 219 B6R0.3 CC(O)C(=O)CO CNP0185354.0 [0,0,1,0,0,0|1,1,0]=3 220 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,0,0|1,0,1]=3 221 B6R0.3 CC=C(C)C(=O)N CNP0399229.0 [0,0,1,0,0,0|2,0,1]=4 222 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [0,0,1,0,0,0|2,0,1]=4 223 B6R0.3 CCC(=C(C)C)C CNP0076862.0 [0,0,1,0,0,0|2,0,1]=4 224 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [0,0,1,0,0,0|0,1,1]=3 225 B6R0.3 CCC(=O)C(=O)O CNP0283357.0 [0,0,1,0,0,0|1,1,1]=4 226 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [0,0,1,0,0,0|1,0,0]=2 227 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [0,0,1,0,0,0|0,0,0]=1 228 B6R0.3 CCC(=O)N(C)C CNP0205998.0 [0,0,1,0,0,0|2,0,0]=3 229 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [0,0,1,0,0,0|1,0,0]=2 230 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [0,0,1,0,0,0|0,1,0]=2 231 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [0,0,1,0,0,0|2,0,0]=3 232 B6R0.3 CCC(O)C(C)C CNP0265736.0 [0,0,1,0,0,0|1,0,2]=4 233 B6R0.3 CCC(O)C(C)O CNP0519497.0 [0,0,1,0,0,0|0,1,2]=4 234 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [0,0,1,0,0,0|2,0,0]=3 235 B6R0.3 CCC(S)C(C)C CNP0611989.0 [0,0,1,0,0,0|1,1,1]=4 236 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [0,0,1,0,0,0|1,0,0]=2 237 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [0,0,1,0,0,0|2,0,0]=3 239 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [0,0,1,0,0,0|2,0,0]=3 240 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [0,0,1,0,0,0|1,0,2]=4 241 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [0,0,1,0,0,0|3,0,0]=4 242 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [0,0,1,0,0,0|2,0,0]=3 243 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [0,0,1,0,0,0|3,0,0]=4 244 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [0,0,1,0,0,0|1,0,0]=2 245 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [0,0,1,0,0,0|2,0,0]=3 246 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [0,0,1,0,0,0|2,0,0]=3 247 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [0,0,1,0,0,0|2,0,0]=3 248 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [0,0,1,0,0,0|2,0,1]=4 249 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [0,0,1,0,0,0|3,0,0]=4 251 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [0,0,1,0,0,0|3,0,0]=4 252 B6R0.3 CNC(=O)N(C)C CNP0499080.0 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.3 CN[C@@H](C)C(=O)O CNP0126063.1 [0,0,1,0,0,0|2,0,0]=3 254 B6R0.3 CN[C@H](C)C(=O)O CNP0126063.2 [0,0,1,0,0,0|2,0,0]=3 255 B6R0.3 COC(=O)C(=O)C CNP0301085.0 [0,0,1,0,0,0|1,1,1]=4 256 B6R0.3 COC(=O)C(Br)Br CNP0192713.0 [0,0,1,0,0,0|3,0,0]=4 257 B6R0.3 COC(=O)C(C)C CNP0354997.0 [0,0,1,0,0,0|2,0,0]=3 258 B6R0.3 COC(=O)[C@@H](C)N CNP0396122.3 [0,0,1,0,0,0|2,0,0]=3 259 B6R0.3 COC(=O)[C@@H](C)O CNP0238296.2 [0,0,1,0,0,0|1,1,0]=3 260 B6R0.3 COC(=O)[C@@H](N)O CNP0142697.1 [0,0,1,0,0,0|2,1,0]=4 261 B6R0.3 COC(=O)[C@H](C)N CNP0396122.2 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.3 COC(=O)[C@H](C)O CNP0238296.1 [0,0,1,0,0,0|1,1,0]=3 263 B6R0.3 COC(=S)C(C)C CNP0507266.0 [0,0,1,0,0,0|2,1,0]=4 264 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [0,0,1,0,0,0|0,1,0]=2 265 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [0,0,1,0,0,0|0,0,0]=1 266 B6R0.3 CSC(C)C(C)C CNP0245218.0 [0,0,1,0,0,0|1,0,1]=3 267 B6R0.3 C[C@@H](C=O)C(=O)O CNP0083546.1 [0,0,1,0,0,0|3,0,0]=4 268 B6R0.3 C[C@@H](CN)C(=O)O CNP0291505.1 [0,0,1,0,0,0|3,0,0]=4 269 B6R0.3 C[C@@H](CO)C(=O)O CNP0257203.1 [0,0,1,0,0,0|3,0,0]=4 270 B6R0.3 C[C@H](CN)C(=O)O CNP0291505.2 [0,0,1,0,0,0|3,0,0]=4 271 B6R0.3 C[C@H](CO)C(=O)O CNP0257203.2 [0,0,1,0,0,0|3,0,0]=4 272 B6R0.3 C[C@H](NO)C(=O)O CNP0221656.1 [0,0,1,0,0,0|3,0,0]=4 273 B6R0.3 O=C(CBr)C(Br)Br CNP0156364.0 [0,0,1,0,0,0|3,0,0]=4 274 B6R0.3 O=C(CBr)C(Cl)Cl CNP0175070.0 [0,0,1,0,0,0|3,0,0]=4 275 B6R0.3 O=C(CBr)[C@@H](Cl)Br CNP0199732.1 [0,0,1,0,0,0|3,0,0]=4 276 B6R0.3 O=C(CCl)C(Br)Br CNP0124606.0 [0,0,1,0,0,0|3,0,0]=4 277 B6R0.3 O=C(CCl)C(Cl)Cl CNP0243162.0 [0,0,1,0,0,0|3,0,0]=4 278 B6R0.3 O=C(CCl)[C@H](Cl)Br CNP0320239.1 [0,0,1,0,0,0|3,0,0]=4 279 B6R0.3 O=C(CI)C(Br)Br CNP0231151.0 [0,0,1,0,0,0|3,0,0]=4 280 B6R0.3 [C-]#[N+][C@@H](C)C(=O)O CNP0523631.1 [0,0,1,0,0,0|2,0,1]=4 281 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|2,0,1]=4 282 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,1,0,0,0|2,0,0]=3 283 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,1,0,0,0|3,0,0]=4 284 B6R0.6 C=CCCSC#N CNP0532187.0 [0,0,1,0,0,0|2,0,1]=4 285 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.6 C=CCSSSC CNP0338885.0 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.6 C=COCCCC CNP0077236.0 [0,0,1,0,0,0|3,0,0]=4 288 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,1,0,0,0|1,0,1]=3 289 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,1,0,0,0|2,0,1]=4 290 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|1,0,1]=3 291 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,1,0,0,0|2,0,1]=4 292 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|1,0,2]=4 293 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,1,0,0,0|1,0,1]=3 294 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|1,0,2]=4 295 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,1,0,0,0|1,0,2]=4 296 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,1,0,0,0|2,0,1]=4 297 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,1,0,0,0|1,0,0]=2 298 B6R0.6 CCCCCCC CNP0290800.0 [0,0,1,0,0,0|2,0,1]=4 299 B6R0.6 CCCCCCN CNP0213933.0 [0,0,1,0,0,0|2,0,1]=4 300 B6R0.6 CCCCCCO CNP0317600.0 [0,0,1,0,0,0|1,0,2]=4 301 B6R0.6 CCCCCCS CNP0167948.0 [0,0,1,0,0,0|1,1,1]=4 302 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,1,0,0,0|1,0,2]=4 303 B6R0.6 CCCCCNC CNP0276164.0 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.6 CCCCCOC CNP0358174.0 [0,0,1,0,0,0|3,0,0]=4 305 B6R0.6 CCCCCSC CNP0293012.0 [0,0,1,0,0,0|3,0,0]=4 306 B6R0.6 CCCCCSS CNP0228282.0 [0,0,1,0,0,0|2,1,0]=4 307 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,1,0,0,0|2,0,0]=3 308 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,1,0,0,0|2,0,0]=3 309 B6R0.6 CCCCON=O CNP0003508.0 [0,0,1,0,0,0|3,0,0]=4 310 B6R0.6 CCCCSSC CNP0532819.0 [0,0,1,0,0,0|2,0,1]=4 311 B6R0.6 CCCSSCC CNP0322971.0 [0,0,1,0,0,0|2,0,1]=4 312 B6R0.6 CCOCCCO CNP0304052.0 [0,0,1,0,0,0|0,1,2]=4 313 B6R0.6 CCOCCCS CNP0267296.0 [0,0,1,0,0,0|0,2,1]=4 314 B6R0.6 CCSCCCO CNP0355297.0 [0,0,1,0,0,0|0,0,2]=3 315 B6R0.6 CCSSCSC CNP0003140.0 [0,0,1,0,0,0|3,0,0]=4 316 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,1,0,0,0|2,0,0]=3 318 B6R0.6 O=CCCCC=O CNP0204417.0 [0,0,1,0,0,0|2,0,1]=4 319 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,0,1,0|0,0,0]=1 320 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,0,1,0|1,0,1]=3 321 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,0,1|1,0,1]=3 322 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,1|0,1,1]=3 323 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,0,1|2,0,1]=4 324 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|2,0,1]=4 326 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,1|1,0,1]=3 327 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,1|2,0,1]=4 328 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,1|2,0,1]=4 329 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,0,0,1|3,0,0]=4 330 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,1|1,0,2]=4 331 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,0,0,1|2,0,0]=3 332 B8R1.4 CC1NC(SCS1)C CNP0059396.0 [0,0,0,0,0,1|2,0,1]=4 333 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,1|1,0,2]=4 334 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,0,0,1|1,0,0]=2 335 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,0,0,1|1,0,0]=2 336 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,0,0,1|2,0,1]=4 337 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,0,0,1|1,0,2]=4 338 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,0,0,1|2,0,1]=4 339 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,0,0,1|2,0,1]=4 340 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,0,0,1|1,0,2]=4 341 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,0,0,1|2,0,1]=4 342 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,1|1,0,2]=4 343 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,0,0,1|1,0,0]=2 344 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,0,0,1|1,0,0]=2 345 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,0,0,1|1,0,2]=4 346 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,0,0,1|1,0,2]=4 347 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,0,0,1|2,1,0]=4 348 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,0,0,1|1,1,1]=4 349 B8R1.4 C[C@H]1SSC[C@@H](S1)C CNP0523637.1 [0,0,0,0,0,1|2,0,1]=4 350 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,0,0,1|2,0,1]=4 351 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,0,0,1|2,0,1]=4 352 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,0,0,1|2,0,1]=4 353 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,0,0,1|2,0,0]=3 354 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,0,0,1|3,0,0]=4 355 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,0,0,0,0,1|2,0,0]=3 356 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,0,0,1|1,0,0]=2 357 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,0,0,1|1,0,2]=4 358 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,0,0,0,0,1|1,0,0]=2 359 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,0,0,1|2,0,1]=4 360 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,0,0,1|2,0,1]=4 361 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,0,0,0,0,1|2,0,0]=3 362 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,0,0,1|2,0,1]=4 363 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,0,0,0,0,1|2,0,1]=4 365 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,0,0,1|2,0,0]=3 366 B8R1.5 O=C1NCCNC1=O CNP0540592.0 [0,0,0,0,0,1|2,0,1]=4 367 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|1,0,1]=4 368 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,1,0,0,0|1,1,0]=4 369 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|1,0,1]=4 370 B5R0.1 CC(=CCS)C CNP0262600.0 [1,0,1,0,0,0|1,0,1]=4 371 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,1,0,0,0|0,1,0]=3 372 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,1,0,0,0|0,0,0]=2 373 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,1,0,0,0|1,0,0]=3 374 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,1,0,0,0|1,0,1]=4 375 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,1,0,0,0|0,0,2]=4 376 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,1,0,0,0|0,1,1]=4 377 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|1,0,1]=4 378 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|1,0,1]=4 379 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,1,1]=4 380 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|1,0,1]=4 381 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,1,1]=4 382 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,1,0,0,0|1,0,0]=3 383 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,1,0,0,0|2,0,0]=4 384 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,1,0,0,0|2,0,0]=4 385 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,1,0,0,0|2,0,0]=4 386 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,1,0,0,0|1,0,1]=4 387 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,1,0,0,0|0,0,1]=3 388 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,1,0,0,0|0,1,1]=4 389 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,1,0,0,0|0,1,1]=4 390 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,1,0,0,0|1,0,1]=4 391 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,1,0,0,0|0,1,1]=4 392 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,1,0,0,0|0,1,1]=4 393 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,1,0,0,0|0,1,1]=4 394 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,1,0,0,0|0,0,1]=3 395 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,1,0,0,0|0,0,1]=3 396 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,1,0,0,0|0,1,0]=3 397 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,1,0,0,0|2,0,0]=4 398 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,1,0,0,0|2,0,0]=4 399 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,1,0,0,0|2,0,0]=4 400 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,1,0,0,0|2,0,0]=4 401 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,1,0,0,0|0,1,0]=3 402 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,1,0,0,0|1,1,0]=4 403 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,1,0,0,0|0,0,0]=2 404 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,1,0,0,0|1,0,0]=3 405 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,1,0,0,0|1,0,1]=4 406 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,0,1,0,0,0|1,0,1]=4 407 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,1,0,0,0|1,0,1]=4 408 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,1,0,0,0|1,1,0]=4 409 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,1,0,0,0|1,1,0]=4 410 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,1,0,0,0|2,0,0]=4 411 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,1,0,0,0|1,1,0]=4 412 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,1,0,0,0|1,0,0]=3 413 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,1,0,0,0|0,0,2]=4 414 B5R0.2 C=CCCCC CNP0264947.0 [1,0,1,0,0,0|1,0,0]=3 415 B5R0.2 C=CCCCO CNP0003396.0 [1,0,1,0,0,0|2,0,0]=4 416 B5R0.2 C=CCSCC CNP0261096.0 [1,0,1,0,0,0|0,0,1]=3 417 B5R0.2 C=CCSSC CNP0333880.0 [1,0,1,0,0,0|1,0,1]=4 418 B5R0.2 C=CSSCC CNP0003136.0 [1,0,1,0,0,0|1,0,1]=4 419 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 420 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|1,0,1]=4 421 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|0,1,1]=4 422 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,2]=4 423 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|0,1,1]=4 424 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,2]=4 425 B5R0.2 CCCCC#N CNP0357663.0 [1,0,1,0,0,0|1,0,1]=4 426 B5R0.2 CCCCC=O CNP0361186.0 [1,0,1,0,0,0|0,0,0]=2 427 B5R0.2 CCCCCBr CNP0018690.0 [1,0,1,0,0,0|1,0,1]=4 428 B5R0.2 CCCCCC CNP0269021.0 [1,0,1,0,0,0|1,0,1]=4 429 B5R0.2 CCCCCI CNP0017763.0 [1,0,1,0,0,0|1,0,1]=4 430 B5R0.2 CCCCCN CNP0203183.0 [1,0,1,0,0,0|1,0,1]=4 431 B5R0.2 CCCCCO CNP0244882.0 [1,0,1,0,0,0|0,0,2]=4 432 B5R0.2 CCCCCS CNP0260876.0 [1,0,1,0,0,0|0,0,1]=3 433 B5R0.2 CCCCNC CNP0277639.0 [1,0,1,0,0,0|2,0,0]=4 434 B5R0.2 CCCCOC CNP0609033.0 [1,0,1,0,0,0|2,0,0]=4 435 B5R0.2 CCCCSC CNP0562965.0 [1,0,1,0,0,0|1,0,1]=4 436 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,1,0,0,0|1,0,0]=3 437 B5R0.2 CCCOC=O CNP0326097.0 [1,0,1,0,0,0|1,0,0]=3 438 B5R0.2 CCCSCC CNP0316215.0 [1,0,1,0,0,0|0,0,1]=3 439 B5R0.2 CCCSSC CNP0296815.0 [1,0,1,0,0,0|1,0,1]=4 440 B5R0.2 CCNCCN CNP0281269.0 [1,0,1,0,0,0|2,0,0]=4 441 B5R0.2 CCNCCO CNP0396370.0 [1,0,1,0,0,0|1,0,1]=4 442 B5R0.2 CCOCCO CNP0319988.0 [1,0,1,0,0,0|0,1,1]=4 443 B5R0.2 CCSCCN CNP0506731.0 [1,0,1,0,0,0|1,0,0]=3 444 B5R0.2 CCSSCC CNP0416624.0 [1,0,1,0,0,0|1,0,1]=4 445 B5R0.2 CSCCC=O CNP0136743.0 [1,0,1,0,0,0|0,0,0]=2 446 B5R0.2 CSCCCN CNP0348726.0 [1,0,1,0,0,0|1,0,1]=4 447 B5R0.2 CSCCCO CNP0359993.0 [1,0,1,0,0,0|0,0,2]=4 448 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,1,0,0,0|1,0,1]=4 449 B5R0.2 NCCCC=O CNP0359033.0 [1,0,1,0,0,0|1,0,0]=3 450 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,1,0,0,0|1,0,1]=4 451 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,1,0,0,0|2,0,0]=4 452 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|0,0,2]=4 453 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|0,0,2]=4 454 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,1,0,0,0|2,0,0]=4 455 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,1,0,0,0|2,0,0]=4 456 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,1,0,0,0|2,0,0]=4 457 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,0,2]=4 458 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|1,0,1]=4 459 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|0,1,1]=4 460 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,1,0,0,0|0,1,1]=4 461 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,1,0,0,0|0,0,0]=2 462 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,1,0,0,0|0,1,0]=3 463 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,1,0,0,0|2,0,0]=4 464 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,1,0,0,0|1,0,0]=3 465 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,1,0,0,0|1,0,0]=3 466 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,1,0,0,0|1,0,1]=4 467 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,1,0,0,0|0,1,1]=4 468 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,1,0,0,0|1,0,1]=4 469 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,1,0,0,0|0,0,2]=4 470 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,1,0,0,0|0,1,1]=4 471 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,1,0,0,0|1,0,1]=4 472 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,1,0,0,0|0,0,0]=2 473 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,1,0,0,0|0,0,2]=4 474 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,1,0,0,0|1,0,1]=4 475 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,1,0,0,0|0,0,0]=2 476 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,1,0,0,0|1,0,1]=4 477 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,1,0,0,0|0,0,2]=4 478 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,1,0,0,0|1,0,1]=4 479 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,1,0,0,0|2,0,0]=4 480 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,1,0,0,0|2,0,0]=4 481 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,1,0,0,0|2,0,0]=4 482 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,1,0,0,0|2,0,0]=4 483 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,1,0,0,0|2,0,0]=4 484 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,1,0,0,0|2,0,0]=4 485 B5R0.3 COC(C)OC CNP0122626.0 [1,0,1,0,0,0|1,1,0]=4 486 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,1,0,0,0|1,0,0]=3 487 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,1,0,0,0|2,0,0]=4 488 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,1,0,0,0|2,0,0]=4 489 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,1,0,0,0|2,0,0]=4 490 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,1,0,0,0|2,0,0]=4 491 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,1,0,0,0|2,0,0]=4 492 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,1,0,0,0|1,1,0]=4 493 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,1,0,0,0|1,1,0]=4 494 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,1,0,0,0|2,0,0]=4 495 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,1,0,0,0|1,1,0]=4 496 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [1,0,1,0,0,0|0,0,2]=4 497 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [1,0,1,0,0,0|1,1,0]=4 498 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [1,0,1,0,0,0|1,1,0]=4 499 B5R0.5 C=C(O)C(C)C CNP0150035.0 [1,0,1,0,0,0|0,0,2]=4 500 B5R0.5 CC(=C(C)C)C CNP0192659.0 [1,0,1,0,0,0|1,0,1]=4 501 B5R0.5 CC(=C(C)O)C CNP0164530.0 [1,0,1,0,0,0|0,0,2]=4 502 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [1,0,1,0,0,0|0,1,1]=4 503 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [1,0,1,0,0,0|2,0,0]=4 504 B5R0.5 CC(=O)C(C)C CNP0209504.0 [1,0,1,0,0,0|0,0,0]=2 505 B5R0.5 CC(=O)C(C)S CNP0409589.0 [1,0,1,0,0,0|0,0,0]=2 506 B5R0.5 CC(=O)C(O)O CNP0547141.0 [1,0,1,0,0,0|1,1,0]=4 507 B5R0.5 CC(=O)N(C)C CNP0083052.0 [1,0,1,0,0,0|1,0,0]=3 508 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [1,0,1,0,0,0|0,1,0]=3 509 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [1,0,1,0,0,0|0,1,0]=3 510 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [1,0,1,0,0,0|1,0,0]=3 511 B5R0.5 CC(C)C(=O)N CNP0226996.0 [1,0,1,0,0,0|1,0,0]=3 512 B5R0.5 CC(C)C(=O)O CNP0197560.0 [1,0,1,0,0,0|1,0,0]=3 513 B5R0.5 CC(C)C(C)C CNP0183010.0 [1,0,1,0,0,0|1,0,1]=4 514 B5R0.5 CC(C)N(C)C CNP0419243.0 [1,0,1,0,0,0|2,0,0]=4 515 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [1,0,1,0,0,0|1,0,1]=4 516 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [1,0,1,0,0,0|0,0,2]=4 517 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [1,0,1,0,0,0|0,1,1]=4 518 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [1,0,1,0,0,0|0,0,2]=4 519 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [1,0,1,0,0,0|2,0,0]=4 520 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [1,0,1,0,0,0|1,1,0]=4 521 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [1,0,1,0,0,0|1,1,0]=4 522 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [1,0,1,0,0,0|1,1,0]=4 523 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [1,0,1,0,0,0|1,1,0]=4 524 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [1,0,1,0,0,0|1,1,0]=4 525 B5R0.5 CC(O)C(C)S CNP0002511.0 [1,0,1,0,0,0|0,0,2]=4 526 B5R0.5 CC(S)C(C)S CNP0003531.0 [1,0,1,0,0,0|0,1,1]=4 527 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [1,0,1,0,0,0|2,0,0]=4 528 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [1,0,1,0,0,0|1,1,0]=4 529 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [1,0,1,0,0,0|2,0,0]=4 530 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [1,0,1,0,0,0|1,1,0]=4 531 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [1,0,1,0,0,0|1,0,0]=3 532 B5R1.1 C1=CCCC1 CNP0534738.0 [2,0,0,0,0,0|1,0,1]=4 533 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|0,1,1]=4 534 B5R1.1 C1=CNCC1 CNP0527065.0 [2,0,0,0,0,0|1,0,1]=4 535 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,1,1]=4 536 B5R1.1 C1=CSCC1 CNP0496655.0 [2,0,0,0,0,0|0,0,1]=3 537 B5R1.1 C1=CSCS1 CNP0479150.0 [2,0,0,0,0,0|1,0,1]=4 538 B5R1.1 C1=CSSC1 CNP0490976.0 [2,0,0,0,0,0|1,0,1]=4 539 B5R1.1 C1=NCCC1 CNP0581055.0 [2,0,0,0,0,0|2,0,0]=4 540 B5R1.1 C1=PCCC1 CNP0609027.0 [2,0,0,0,0,0|2,0,0]=4 541 B5R1.1 C1CCCC1 CNP0566364.0 [2,0,0,0,0,0|1,0,1]=4 542 B5R1.1 C1CCNC1 CNP0572990.0 [2,0,0,0,0,0|1,0,1]=4 543 B5R1.1 C1CCOC1 CNP0507941.0 [2,0,0,0,0,0|0,1,1]=4 544 B5R1.1 C1CCPC1 CNP0598418.0 [2,0,0,0,0,0|1,0,1]=4 545 B5R1.1 C1CCSC1 CNP0569262.0 [2,0,0,0,0,0|0,0,1]=3 546 B5R1.1 C1COCO1 CNP0568859.0 [2,0,0,0,0,0|1,1,0]=4 547 B5R1.1 C1CSCN1 CNP0561874.0 [2,0,0,0,0,0|1,0,0]=3 548 B5R1.1 C1CSSC1 CNP0501166.0 [2,0,0,0,0,0|1,0,1]=4 549 B5R1.1 C1SCSS1 CNP0507701.0 [2,0,0,0,0,0|2,0,0]=4 550 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,1,0,0,0|2,0,0]=4 551 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,1,0,0,0|1,0,1]=4 552 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,1,0,0,0|0,1,1]=4 553 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,1,1,0,0,0|2,0,0]=4 554 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,1,1,0,0,0|2,0,0]=4 555 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,1,1,0,0,0|2,0,0]=4 556 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,1,1,0,0,0|2,0,0]=4 557 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,1,1,0,0,0|2,0,0]=4 558 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,1,1,0,0,0|2,0,0]=4 559 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,1,0,0,0|1,0,0]=3 560 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,1,1,0,0,0|0,1,1]=4 561 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,1,0,0,0|1,0,0]=3 562 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,1,0,0,0|2,0,0]=4 563 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,1,0,0,0|2,0,0]=4 564 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,1,0,0,0|2,0,0]=4 566 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,1,0,0,0|1,1,0]=4 567 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,1,0,0,0|2,0,0]=4 568 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,1,0,0,0|2,0,0]=4 569 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,1,1,0,0,0|2,0,0]=4 570 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,1,1,0,0,0|2,0,0]=4 571 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,1,0,0,0|2,0,0]=4 572 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,1,0,0,0|2,0,0]=4 574 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,1,0,0,0|1,0,1]=4 575 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,1,0,0,0|0,0,0]=2 576 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,1,0,0,0|0,1,0]=3 577 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,1,0,0,0|1,0,1]=4 578 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,1,0,0,0|2,0,0]=4 579 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,1,0,0,0|1,0,0]=3 580 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,1,0,0,0|2,0,0]=4 581 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,1,0,0,0|1,0,0]=3 582 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,1,0,0,0|2,0,0]=4 583 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,1,0,0,0|1,0,0]=3 584 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,1,0,0,0|2,0,0]=4 585 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,1,1,0,0,0|2,0,0]=4 587 B7R0.3 COC(=O)CCC#N CNP0076214.0 [0,1,1,0,0,0|2,0,0]=4 588 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,1,0,0,0|1,1,0]=4 589 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,1,0,0,0|1,0,0]=3 590 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,1,0,0,0|2,0,0]=4 591 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [0,1,1,0,0,0|1,1,0]=4 592 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,1,0,0,0|0,1,1]=4 593 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,1,0,0,0|1,0,1]=4 594 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,1,0,0,0|1,0,1]=4 596 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,1,0,0,0|1,0,0]=3 597 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,1,0,0,0|1,0,0]=3 598 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,1,0,0,0|1,0,0]=3 599 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,1,0,0,0|1,0,0]=3 600 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,1,0,0,0|1,0,0]=3 601 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,1,0,0,0|1,0,0]=3 602 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,1,0,0,0|1,0,0]=3 603 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,1,0,0,0|2,0,0]=4 604 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,1,0,0,0|2,0,0]=4 605 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,1,0,0,0|1,0,0]=3 606 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,1,0,0,0|1,0,0]=3 607 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,1,0,0,0|1,0,0]=3 608 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,1,0,0,0|2,0,0]=4 609 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,1,0,0,0|2,0,0]=4 610 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,1,0,0,0|2,0,0]=4 611 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,1,0,0,0|2,0,0]=4 612 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,1,0,0,0|2,0,0]=4 613 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,1,0,0,0|2,0,0]=4 615 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,1,0,0,0|0,1,0]=3 616 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,1,0,0,0|1,0,1]=4 617 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,1,0,0,0|2,0,0]=4 618 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,1,0,0,0|2,0,0]=4 619 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,1,0,0,0|2,0,0]=4 620 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,1,0,0,0|1,0,1]=4 621 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,1,0,0,0|1,0,1]=4 622 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,1,0,0,0|2,0,0]=4 623 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,1,0,0,0|2,0,0]=4 624 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,1,0,0,0|1,0,0]=3 625 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,1,0,0,0|1,0,0]=3 626 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,1,0,0,0|1,1,0]=4 627 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,1,0,0,0|1,0,0]=3 628 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,1,0,0,0|1,0,1]=4 629 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,1,0,0,0|0,0,0]=2 630 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,1,0,0,0|2,0,0]=4 631 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,1,0,0,0|2,0,0]=4 632 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,1,0,0,0|2,0,0]=4 633 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,1,0,0,0|1,0,1]=4 634 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,1,0,0,0|1,1,0]=4 635 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,1,0,0,0|1,0,1]=4 636 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,1,0,0,0|1,0,0]=3 637 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,1,0,0,0|1,0,0]=3 638 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,1,0,0,0|2,0,0]=4 639 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,1,0,0,0|2,0,0]=4 640 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,1,0,0,0|1,0,0]=3 641 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,1,0,0,0|2,0,0]=4 642 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,1,0,0,0|2,0,0]=4 643 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [0,1,1,0,0,0|1,1,0]=4 644 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [0,1,1,0,0,0|1,1,0]=4 645 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [0,1,1,0,0,0|1,0,0]=3 646 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [0,1,1,0,0,0|1,1,0]=4 647 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,1,0,0,0|2,0,0]=4 648 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [0,1,1,0,0,0|1,0,0]=3 649 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [0,1,1,0,0,0|1,1,0]=4 650 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [0,1,1,0,0,0|1,1,0]=4 651 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [0,1,1,0,0,0|1,1,0]=4 652 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,1,1,0,0,0|1,0,1]=4 653 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,1,1,0,0,0|1,0,0]=3 654 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,1,1,0,0,0|1,0,1]=4 655 B7R0.13 CCC(C)(C)C(=O)O CNP0573336.0 [0,1,1,0,0,0|2,0,0]=4 656 B7R0.13 CC[C@@](C)(N)C(=O)O CNP0244941.2 [0,1,1,0,0,0|2,0,0]=4 657 B7R0.13 CC[C@@](C)(O)C(=O)N CNP0151624.1 [0,1,1,0,0,0|2,0,0]=4 658 B7R0.13 CC[C@@](C)(O)C(=O)O CNP0382124.1 [0,1,1,0,0,0|2,0,0]=4 659 B7R0.13 CC[C@](C)(N)C(=O)O CNP0244941.1 [0,1,1,0,0,0|2,0,0]=4 660 B7R0.13 CC[C@](C)(O)C(=O)O CNP0382124.2 [0,1,1,0,0,0|2,0,0]=4 661 B7R0.13 CNC(C)(C)C(=O)O CNP0083839.0 [0,1,1,0,0,0|2,0,0]=4 662 B7R0.14 COC(=O)C(C)(C)O CNP0269144.0 [0,1,1,0,0,0|1,1,0]=4 663 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [0,1,1,0,0,0|1,0,0]=3 664 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [0,1,1,0,0,0|2,0,0]=4 665 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [0,1,1,0,0,0|2,0,0]=4 666 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [0,1,1,0,0,0|2,0,0]=4 667 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [0,1,1,0,0,0|2,0,0]=4 668 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [0,1,1,0,0,0|2,0,0]=4 669 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [0,1,1,0,0,0|2,0,0]=4 670 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [0,1,1,0,0,0|2,0,0]=4 671 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [0,1,1,0,0,0|2,0,0]=4 672 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [0,1,1,0,0,0|2,0,0]=4 673 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,1,0,0,0|1,0,1]=4 674 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,1,0,0,0|0,1,1]=4 675 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [0,1,1,0,0,0|1,0,0]=3 676 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [0,1,1,0,0,0|2,0,0]=4 677 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,1,0,0,0|2,0,0]=4 678 B7R0.16 CC(=O)N(C)C(=O)C CNP0313606.0 [0,1,1,0,0,0|2,0,0]=4 679 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,1,0,0,0|2,0,0]=4 680 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,1,0,0,0|2,0,0]=4 681 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,1,0,0,0|2,0,0]=4 682 B7R0.16 CC(C)C(=O)C(C)C CNP0413157.0 [0,1,1,0,0,0|1,0,0]=3 683 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [0,1,1,0,0,0|0,1,0]=3 684 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [0,1,1,0,0,0|2,0,0]=4 685 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [0,1,1,0,0,0|2,0,0]=4 686 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [0,1,1,0,0,0|2,0,0]=4 687 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [0,1,1,0,0,0|2,0,0]=4 688 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [0,1,1,0,0,0|2,0,0]=4 689 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,1,0,0,0|2,0,0]=4 690 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,1,0,0,0|2,0,0]=4 691 B7R0.1 C=CCSSCCC CNP0170059.0 [0,1,1,0,0,0|2,0,0]=4 692 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,1,0,0,0|2,0,0]=4 693 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,1,0,0,0|1,0,1]=4 694 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,1,0,0,0|1,0,0]=3 695 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,1,0,0,0|1,0,1]=4 696 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,1,0,0,0|1,0,1]=4 697 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,1,0,0,0|1,0,0]=3 698 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,1,0,0,0|1,0,0]=3 699 B7R0.1 CCCCCON=O CNP0511882.0 [0,1,1,0,0,0|2,0,0]=4 700 B7R0.1 OCCCSCCO CNP0079791.0 [0,1,1,0,0,0|0,0,2]=4 701 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,1,0,0,0|1,0,1]=4 702 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,1,0,0,0|2,0,0]=4 703 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,1,0,0,0|1,0,1]=4 704 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,1,0,0,0|1,0,1]=4 705 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,1,0,0,0|2,0,0]=4 706 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,1,0,0,0|2,0,0]=4 707 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,1,0,0,0|1,0,1]=4 708 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|1,0,1]=4 709 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,1,0,0,0|1,0,1]=4 710 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,1,0,0,0|1,0,0]=3 711 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,1,0,0,0|1,0,0]=3 712 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,1,0,0,0|1,0,0]=3 713 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,1,0,0,0|1,0,1]=4 714 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,1,0,0,0|1,0,0]=3 715 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,1,0,0,0|2,0,0]=4 716 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,1,0,0,0|0,1,0]=3 718 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,1,0,0,0|0,1,0]=3 719 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,1,0,0,0|2,0,0]=4 720 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,1,0,0,0|2,0,0]=4 721 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,1,0,0,0|2,0,0]=4 722 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,1,0,0,0|2,0,0]=4 723 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,1,0,0,0|2,0,0]=4 724 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,1,0,0,0,0|1,0,1]=4 725 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,1,0,0,0,0|1,0,1]=4 726 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,1,0,0,0,0|1,1,0]=4 727 B7R1.1 COC1OCCO1 CNP0076084.0 [1,1,0,0,0,0|1,1,0]=4 728 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,1,0,0,0,0|1,0,1]=4 729 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,1,0,0,0,0|2,0,0]=4 730 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,1,0,0,0,0|2,0,0]=4 731 B7R1.1 O=NN1CCSC1 CNP0462467.0 [1,1,0,0,0,0|1,0,0]=3 732 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,1,0,0,0,0|1,0,1]=4 733 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,1,0,0,0,0|0,1,1]=4 734 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,1,0,0,0,0|1,0,1]=4 735 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,1,0,0,0,0|0,1,1]=4 736 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 737 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [1,1,0,0,0,0|0,0,1]=3 738 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [1,1,0,0,0,0|1,0,1]=4 739 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,1,0,0,0,0|1,0,1]=4 740 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,1,0,0,0,0|0,1,1]=4 741 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [1,1,0,0,0,0|0,1,1]=4 742 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,1,0,0,0,0|1,0,0]=3 743 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,1,0,0,0,0|0,0,2]=4 744 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,1,0,0,0,0|1,0,1]=4 745 B7R1.2 CC1CCC(S1)C CNP0003500.0 [1,1,0,0,0,0|0,0,1]=3 746 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,1,0,0,0,0|2,0,0]=4 747 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,1,0,0,0,0|2,0,0]=4 748 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,1,0,0,0,0|1,0,1]=4 749 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,1,0,0,0,0|0,1,1]=4 750 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,1,0,0,0,0|2,0,0]=4 751 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [1,1,0,0,0,0|2,0,0]=4 752 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,1,0,0,0,0|2,0,0]=4 753 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,1,0,0,0,0|2,0,0]=4 754 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [1,1,0,0,0,0|1,0,1]=4 755 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [1,1,0,0,0,0|2,0,0]=4 756 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,1,0,0,0,0|1,0,0]=3 757 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [1,1,0,0,0,0|2,0,0]=4 758 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,1,0,0,0,0|2,0,0]=4 759 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,1,0,0,0,0|2,0,0]=4 760 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,1,0,0,0,0|2,0,0]=4 761 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [1,1,0,0,0,0|1,0,1]=4 762 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [1,1,0,0,0,0|1,0,1]=4 763 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,1,0,0,0,0|2,0,0]=4 764 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,1,0,0,0,0|2,0,0]=4 765 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,1,0,0,0,0|2,0,0]=4 766 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,1,0,0,0,0|2,0,0]=4 767 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,1,0,0,0,0|1,0,1]=4 768 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,1,0,0,0,0|1,0,1]=4 769 B7R1.14 CC1(CCCS1)S CNP0002611.0 [1,1,0,0,0,0|0,0,1]=3 770 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,1,0,0,0,0|1,0,1]=4 771 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [1,1,0,0,0,0|2,0,0]=4 772 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,0,1,0|0,0,2]=4 773 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,0,1,0|2,0,0]=4 774 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,0,1,0|0,0,0]=2 775 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,0,0,1|1,0,0]=3 776 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,0,0,1|1,0,1]=4 777 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,0,0,1|1,0,0]=3 778 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,0,0,1|0,1,1]=4 779 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,0,0,1|1,0,0]=3 780 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,1|1,0,1]=4 781 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,0,0,1|0,1,1]=4 782 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,0,0,1|1,0,0]=3 783 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,0,0,1|1,0,0]=3 784 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,0,0,1|1,0,1]=4 785 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,0,0,1|2,0,0]=4 786 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,1|1,0,1]=4 788 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,0,0,1|1,0,1]=4 790 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,0,1|1,0,0]=3 791 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,0,0,1|1,0,0]=3 792 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,0,0,1|1,0,0]=3 793 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,0,0,1|1,0,0]=3 794 B9R1.69 C[C@@H]1NC(=O)CNC1=O CNP0190271.1 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,0,1|1,0,0]=3 796 B9R1.69 C[C@H]1NC(=O)CNC1=O CNP0190271.2 [0,1,0,0,0,1|2,0,0]=4 797 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,0,0,1|1,0,0]=3 798 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,0,0,1|1,0,0]=3 799 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,0,0,1|1,0,0]=3 801 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,1,0,0,0,1|2,0,0]=4 802 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [0,1,0,0,0,1|1,0,1]=4 803 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,2,0,0,0,0|1,0,1]=4 804 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,2,0,0,0,0|1,0,1]=4 805 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,2,0,0,0,0|1,0,1]=4 806 B9R1.24 CC=C1CCCC1(C)C CNP0330469.0 [0,2,0,0,0,0|2,0,0]=4 807 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,2,0,0,0,0|1,0,1]=4 808 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [0,2,0,0,0,0|0,1,1]=4 809 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,2,0,0,0,0|1,0,1]=4 810 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [0,2,0,0,0,0|2,0,0]=4 811 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,2,0,0,0,0|2,0,0]=4 812 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,2,0,0,0,0|1,0,1]=4 813 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,2,0,0,0,0|1,0,0]=3 814 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,2,0,0,0,0|1,0,0]=3 815 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,2,0,0,0,0|1,0,1]=4 816 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,2,0,0,0,0|1,0,1]=4 817 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,2,0,0,0,0|2,0,0]=4 818 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,2,0,0,0,0|1,0,0]=3 819 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,2,0,0,0,0|1,0,0]=3 820 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,2,0,0,0,0|1,0,1]=4 821 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,2,0,0,0,0|1,0,1]=4 822 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,2,0,0,0,0|1,0,1]=4 823 B9R1.132 OC[C@H]1SC[C@H]([C@@H]1O)O CNP0356032.1 [0,2,0,0,0,0|0,0,2]=4 824 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,2,0,0,0,0|2,0,0]=4 825 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,2,0,0,0,0|2,0,0]=4 826 B9R1.202 COC1(SCCC1=O)C CNP0064868.0 [0,2,0,0,0,0|0,0,0]=2 827 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,2,0,0,0,0|2,0,0]=4 828 B9R1.23 CCC1N=C(C(S1)C)C CNP0002846.0 [0,2,0,0,0,0|2,0,0]=4 829 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,2,0,0,0,0|1,0,0]=3 830 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,2,0,0,0,0|1,0,1]=4 831 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,2,0,0,0,0|1,0,1]=4 832 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,2,0,0,0,0|1,0,1]=4 833 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,2,0,0,0,0|2,0,0]=4 834 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,2,0,0,0,0|1,0,1]=4 835 B9R1.106 C[C@@]1(C(=O)OC[C@H]1O)O CNP0303953.1 [0,2,0,0,0,0|2,0,0]=4 836 B9R1.106 C[C@]1(C(=O)OC[C@@H]1O)O CNP0303953.3 [0,2,0,0,0,0|2,0,0]=4 837 B9R1.106 C[C@]1(C(=O)OC[C@H]1O)O CNP0303953.2 [0,2,0,0,0,0|2,0,0]=4 838 B9R1.138 CC1(OCC(C1=O)O)O CNP0440658.0 [0,2,0,0,0,0|0,1,0]=3 839 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,2,0,0,0,0|2,0,0]=4 840 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,1,1,0,0|2,0,0]=4 841 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,1,1,0,0|1,1,0]=4 842 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,1,1,0,0|2,0,0]=4 843 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,1,1,0,0|1,0,1]=4 844 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,1,1,0,0|1,0,0]=3 845 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,1,1,0,0|2,0,0]=4 846 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,1,1,0,0|2,0,0]=4 847 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,1,1,0,0|1,0,0]=3 848 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,1,1,0,0|2,0,0]=4 849 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [0,0,1,1,0,0|1,0,0]=3 850 B7R1.12 C=C1CC1C(=O)C CNP0082059.0 [0,0,1,1,0,0|1,0,1]=4 851 B7R1.12 CC(=O)C1C=C1C CNP0335802.0 [0,0,1,1,0,0|1,0,1]=4 852 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,1,1,0,0|0,0,0]=2 853 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,1,1,0,0|2,0,0]=4 854 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,1,1,0,0|2,0,0]=4 855 B7R2.13 C1CC2CC2C1 CNP0612213.0 [1,0,0,1,0,0|1,0,1]=4 856 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,0,1|1,0,0]=3 857 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,1|2,0,0]=4 858 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,1|2,0,0]=4 859 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,1,0,1|2,0,0]=4 860 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,1,0,1|2,0,0]=4 861 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,0,1|1,0,0]=3 862 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,1,0,1,0,0|1,1,0]=4 863 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,1,0,1,0,0|1,0,0]=3 864 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,0,1,0|0,0,1]=3 865 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,0,1,0|1,0,1]=4 866 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,0,1,0|0,1,0]=3 867 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,0,1,0|0,0,2]=4 868 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,0,1,0|1,0,1]=4 869 B5R1.4 C[C@@H]1S[C@@H]1C CNP0577092.1 [0,0,0,0,2,0|1,0,1]=4 870 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,0,0,2|1,0,1]=4 871 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,0,0,2|1,0,0]=3 872 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,0,0,2|1,0,0]=3 873 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,0,0,2|2,0,0]=4 874 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,0,0,2|1,0,0]=3 875 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,0,0,2|1,0,0]=3 876 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,0,0,2|2,0,0]=4