0 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,0,0,0|0,0,4]=4 1 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,0,0|1,0,1]=2 2 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,0,0|1,1,1]=3 5 B7R1.2 CC1=CC(CS1)S CNP0374005.0 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,0,0,0|1,0,3]=4 7 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,0,0|0,0,2]=2 8 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=NC(OC1)C CNP0002478.0 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=NC(SC1)C CNP0372580.0 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,0,0,0,0,0|1,0,1]=2 15 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,0,0|0,0,2]=2 16 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,0,0,0|1,0,3]=4 17 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,0,0,0|2,1,1]=4 18 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,0,0,0,0,0|1,0,0]=1 19 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,0,0,0,0,0|0,1,0]=1 20 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,0,0,0|1,0,2]=3 21 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,0,0,0|1,1,1]=3 22 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,0,0,0,0,0|0,0,0]=0 25 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,0,0,0|1,0,1]=2 27 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,0,0,0,0,0|2,0,0]=2 28 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,0,0,0,0,0|0,0,0]=0 29 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,0,0,0,0,0|2,0,0]=2 30 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,0,0,0,0,0|2,1,0]=3 31 B7R1.2 NC1=NC(=O)CN1 CNP0103299.0 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,0,0,0|1,0,3]=4 34 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,0,0,0,0,0|2,0,2]=4 35 B7R1.2 O=C1C=C[C@H](N1)O CNP0582707.1 [0,0,0,0,0,0|2,0,2]=4 36 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,0,0,0,0,0|2,0,1]=3 37 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,0,0,0,0,0|2,0,1]=3 38 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,0,0,0,0,0|2,0,1]=3 39 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,0,0,0,0,0|1,0,1]=2 40 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,0,0,0,0,0|2,0,0]=2 41 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,0,0,0,0,0|2,0,0]=2 42 B7R1.2 O=C1CNC(=O)N1 CNP0327693.0 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 O=C1CSC(=O)N1 CNP0570033.0 [0,0,0,0,0,0|3,0,1]=4 44 B7R1.2 O=C1CSC(=S)N1 CNP0208403.0 [0,0,0,0,0,0|3,0,1]=4 45 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,0,0,0,0,0|3,0,0]=3 49 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,0,0,0,0,0|2,0,1]=3 50 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 51 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|0,0,3]=4 53 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|2,0,0]=3 54 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|1,1,1]=4 55 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|3,0,0]=4 56 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|2,0,0]=3 58 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,0,0,0|2,1,0]=4 59 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|0,1,1]=3 63 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,0,0,0|1,0,1]=3 64 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,0,0,0|0,0,1]=2 65 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,0,0,0|1,0,1]=3 66 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,0,0,0|1,1,1]=4 67 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|2,0,1]=4 68 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,0]=3 70 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,0,0,0|1,0,1]=3 72 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,0,0,0|1,1,1]=4 75 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R1.2 NC1=NCCS1 CNP0490176.0 [1,0,0,0,0,0|2,1,0]=4 77 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|1,0,1]=3 79 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|0,0,2]=3 80 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|1,0,2]=4 81 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|1,0,2]=4 82 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|0,0,2]=3 83 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,0,0,0|1,0,0]=2 84 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,0,0,0|1,0,0]=2 85 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,0,0,0|0,0,0]=1 86 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,0,0,0|0,1,0]=2 87 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,0,0,0|2,0,0]=3 89 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,0,0,0|2,0,0]=3 90 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,0,0,0|2,0,0]=3 91 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R1.2 O=C1NCCO1 CNP0064744.0 [1,0,0,0,0,0|1,0,0]=2 93 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|1,0,2]=4 94 B6R1.2 OB1OCCO1 CNP0510130.0 [1,0,0,0,0,0|2,0,1]=4 95 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,0,0,0|1,0,1]=3 96 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,0,0,0|2,0,1]=4 97 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,0,0,0|1,0,2]=4 98 B6R1.2 S=C1NCCN1 CNP0310090.0 [1,0,0,0,0,0|2,1,0]=4 99 B6R1.2 S=C1NCCO1 CNP0275785.0 [1,0,0,0,0,0|1,1,0]=3 100 B6R1.2 SC1=NCCO1 CNP0580429.0 [1,0,0,0,0,0|1,1,0]=3 101 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,0,0,0|1,1,1]=4 102 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,0,0,0|0,2,1]=4 103 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,0,0,0|2,0,1]=4 104 B8R1.1 C=CC1OCC(O1)C CNP0506868.0 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.1 C=C[C@@H]1CN=C(O1)S CNP0575613.1 [0,1,0,0,0,0|1,1,1]=4 106 B8R1.1 C=C[C@@H]1CNC(=S)O1 CNP0252373.1 [0,1,0,0,0,0|1,1,1]=4 107 B8R1.1 C=C[C@H]1CN=C(O1)S CNP0575613.2 [0,1,0,0,0,0|1,1,1]=4 108 B8R1.1 C=C[C@H]1CNC(=S)O1 CNP0252373.2 [0,1,0,0,0,0|1,1,1]=4 109 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|0,0,3]=4 110 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,1,0,0,0,0|0,0,2]=3 111 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,0,0|2,0,1]=4 112 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|0,0,3]=4 113 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,0,0|1,0,1]=3 114 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|0,0,2]=3 115 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,0,0,0|1,0,1]=3 116 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,0,0,0|0,0,2]=3 117 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,0,0,0|0,0,0]=1 118 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [0,1,0,0,0,0|2,1,0]=4 121 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,0,0,0|0,0,0]=1 122 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [0,1,0,0,0,0|2,0,0]=3 123 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [0,1,0,0,0,0|2,1,0]=4 124 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,0,0|1,0,2]=4 127 B8R1.1 CO[C@@H]1CCC(=N1)O CNP0574433.1 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.1 CO[C@@H]1CCC(=O)N1 CNP0302885.1 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 NC[C@H]1CCC(=O)O1 CNP0474294.1 [0,1,0,0,0,0|0,0,0]=1 131 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,0,0,0|0,0,2]=3 133 B8R1.1 O=C1CCC(=N1)NO CNP0611972.0 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.1 O=C1CCC(=NO)N1 CNP0248751.0 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,0,0,0|1,0,0]=2 136 B8R1.1 O=C1CC[C@@H](N1)CBr CNP0024090.1 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.1 O=C1CC[C@@H](O1)CBr CNP0033303.1 [0,1,0,0,0,0|0,0,0]=1 138 B8R1.1 O=C1CC[C@@H](O1)CO CNP0117294.2 [0,1,0,0,0,0|0,0,0]=1 139 B8R1.1 O=C1CC[C@H](O1)CO CNP0117294.1 [0,1,0,0,0,0|0,0,0]=1 140 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,1,0,0,0,0|1,0,2]=4 141 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.18 C=C1CC(=O)OC1=O CNP0331229.0 [0,1,0,0,0,0|1,0,2]=4 143 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,0,0,0|1,0,1]=3 144 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,0,0|0,0,2]=3 146 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,0,0|0,0,2]=3 147 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [0,1,0,0,0,0|1,0,2]=4 148 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [0,1,0,0,0,0|0,0,2]=3 151 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,0,0,0|1,0,1]=3 152 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,0,0,0|0,0,0]=1 153 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,0,0,0|2,0,1]=4 155 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,1,0,0,0,0|2,0,1]=4 157 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [0,1,0,0,0,0|1,0,2]=4 158 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,0,0,0|1,0,0]=2 159 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,0,0,0|0,0,0]=1 160 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,0,0,0|0,0,0]=1 161 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,0,0,0|0,0,0]=1 162 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,0,0,0|0,0,2]=3 165 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,0,0,0|0,0,0]=1 166 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,0,0,0|0,0,2]=3 168 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,0,0,0|0,0,1]=2 169 B8R1.18 N[C@H]1CC(=NC1=O)O CNP0547407.1 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [0,1,0,0,0,0|1,0,2]=4 171 B8R1.50 C=C1C(=O)OC[C@@H]1O CNP0216725.1 [0,1,0,0,0,0|3,0,0]=4 172 B8R1.50 C=C1C(=O)OC[C@H]1O CNP0216725.2 [0,1,0,0,0,0|3,0,0]=4 173 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,0,0,0|2,0,1]=4 174 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,0,0,0|1,0,1]=3 175 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,1,0,0,0,0|2,0,1]=4 179 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,0,0,0|2,0,0]=3 180 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,0,0|2,0,1]=4 181 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,0,0|2,0,1]=4 182 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,0,0,0|2,0,1]=4 183 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,0,0,0|2,0,1]=4 184 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,0,0,0|2,0,1]=4 186 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,0,0,0|3,0,0]=4 187 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,0,0,0|2,0,0]=3 189 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,0,0,0|2,0,0]=3 190 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,0,0,0|2,0,1]=4 191 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,0,0,0|1,0,2]=4 193 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,0,0,0|1,0,2]=4 195 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,0,0,0|2,0,1]=4 196 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,1,0,0,0,0|2,0,1]=4 197 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [0,1,0,0,0,0|2,0,1]=4 198 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,0,0,0|3,0,0]=4 199 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,0,0,0|3,0,0]=4 200 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,0,0,0|3,0,0]=4 201 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,0,0,0|3,0,0]=4 202 B8R1.51 CC1(C=CC(=O)C1)C CNP0075974.0 [0,1,0,0,0,0|1,0,2]=4 203 B8R1.51 CC1(C=CC(=O)O1)C CNP0375337.0 [0,1,0,0,0,0|0,0,2]=3 204 B8R1.51 CC1(CN=C(O1)S)C CNP0527716.0 [0,1,0,0,0,0|1,1,0]=3 205 B8R1.51 CC1(CNC(=S)O1)C CNP0263248.0 [0,1,0,0,0,0|1,1,0]=3 206 B8R1.51 CC1(COC(=O)C1)C CNP0084721.0 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.51 CC1=NC(CO1)(C)C CNP0063673.0 [0,1,0,0,0,0|3,0,0]=4 208 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,1,0,0,0,0|1,0,2]=4 209 B8R1.51 CC1COC(O1)(C)C CNP0082638.0 [0,1,0,0,0,0|2,0,1]=4 210 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,1,0,0,0,0|2,0,1]=4 211 B8R1.51 O=S1(=O)CCC(C1)Br CNP0280858.0 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,1,0,0,0|1,0,2]=4 214 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,1,0,0,0|0,0,2]=3 215 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,1,0,0,0|1,0,2]=4 216 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,1,0,0,0|2,0,1]=4 217 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|1,0,1]=3 218 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,1,0,0,0|2,0,1]=4 219 B6R0.1 CCC(=O)CSC CNP0170567.0 [0,0,1,0,0,0|2,0,0]=3 220 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,0,1,0,0,0|2,0,1]=4 221 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,1,0,0,0|1,0,0]=2 222 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,0,1,0,0,0|1,0,0]=2 223 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,1,0,0,0|0,0,0]=1 224 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,0,1,0,0,0|1,0,0]=2 225 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,1,0,0,0|3,0,0]=4 226 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,1,0,0,0|2,0,1]=4 227 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,1,0,0,0|2,0,1]=4 228 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,1,0,0,0|1,0,0]=2 229 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,1,0,0,0|2,0,0]=3 230 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,1,0,0,0|2,0,0]=3 231 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,1,0,0,0|2,0,0]=3 232 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,1,0,0,0|2,0,1]=4 233 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,1,0,0,0|1,0,2]=4 234 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,1,0,0,0|2,0,1]=4 235 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,1,0,0,0|1,0,2]=4 236 B6R0.1 CCNC(=O)CC CNP0586892.0 [0,0,1,0,0,0|1,0,0]=2 237 B6R0.1 CCNC(=O)OC CNP0585352.0 [0,0,1,0,0,0|2,0,0]=3 238 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,1,0,0,0|1,0,1]=3 239 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,1,0,0,0|0,0,0]=1 240 B6R0.1 CCOC(=O)CI CNP0158474.0 [0,0,1,0,0,0|1,0,0]=2 241 B6R0.1 CCOC(=O)NC CNP0565390.0 [0,0,1,0,0,0|1,0,0]=2 242 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,1,0,0,0|1,0,1]=3 243 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.1 CCSC(=O)CC CNP0265303.0 [0,0,1,0,0,0|0,1,0]=2 245 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,1,0,0,0|0,2,1]=4 246 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,1,0,0,0|1,0,2]=4 247 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,0,1,0,0,0|1,1,1]=4 248 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,1,0,0,0|2,1,0]=4 249 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,1,0,0,0|1,0,2]=4 250 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,0,1,0,0,0|1,1,1]=4 251 B6R0.1 CNCC(=O)OC CNP0311286.0 [0,0,1,0,0,0|3,0,0]=4 252 B6R0.1 COC(=O)CSC CNP0189712.0 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.1 COCC(=O)OC CNP0202591.0 [0,0,1,0,0,0|3,0,0]=4 254 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,1,0,0,0|2,0,0]=3 255 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [0,0,1,0,0,0|1,0,2]=4 256 B6R0.2 CC(=CC(=O)Cl)C CNP0301599.0 [0,0,1,0,0,0|2,0,1]=4 257 B6R0.2 CC(=CC(=O)N)C CNP0186116.0 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.2 CC(=CC(=O)O)C CNP0191929.0 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.2 CC(=CC(C)C)C CNP0084966.0 [0,0,1,0,0,0|2,0,0]=3 260 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [0,0,1,0,0,0|1,0,1]=3 261 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [0,0,1,0,0,0|2,0,1]=4 262 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [0,0,1,0,0,0|1,0,1]=3 263 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [0,0,1,0,0,0|2,0,1]=4 264 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [0,0,1,0,0,0|2,0,1]=4 265 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [0,0,1,0,0,0|1,0,0]=2 266 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [0,0,1,0,0,0|2,0,0]=3 267 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.2 CC(=O)NC(=O)C CNP0582746.0 [0,0,1,0,0,0|2,0,1]=4 269 B6R0.2 CC(=O)OC(=O)C CNP0296904.0 [0,0,1,0,0,0|1,0,1]=3 270 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [0,0,1,0,0,0|0,0,0]=1 271 B6R0.2 CC(=O)SC(=O)C CNP0165468.0 [0,0,1,0,0,0|1,1,1]=4 272 B6R0.2 CC(=S)OC(=S)C CNP0526914.0 [0,0,1,0,0,0|1,1,1]=4 273 B6R0.2 CC(=S)OC(C)C CNP0539735.0 [0,0,1,0,0,0|0,1,0]=2 274 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [0,0,1,0,0,0|2,0,0]=3 275 B6R0.2 CC(C)CC(C)C CNP0241759.0 [0,0,1,0,0,0|2,0,1]=4 276 B6R0.2 CC(C)CC(C)O CNP0493734.0 [0,0,1,0,0,0|1,0,2]=4 277 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [0,0,1,0,0,0|2,0,1]=4 278 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [0,0,1,0,0,0|2,0,1]=4 279 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [0,0,1,0,0,0|2,0,1]=4 280 B6R0.2 CC(C)NC(=O)N CNP0331187.0 [0,0,1,0,0,0|2,0,0]=3 281 B6R0.2 CC(C)NC(=S)N CNP0284249.0 [0,0,1,0,0,0|2,1,0]=4 282 B6R0.2 CC(C)NC(C)C CNP0209283.0 [0,0,1,0,0,0|2,0,1]=4 283 B6R0.2 CC(C)SC(=N)N CNP0584188.0 [0,0,1,0,0,0|2,1,0]=4 284 B6R0.2 CC(C)SC(C)C CNP0213199.0 [0,0,1,0,0,0|1,1,1]=4 285 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [0,0,1,0,0,0|3,0,0]=4 286 B6R0.2 CN(C)CC(=O)Cl CNP0017846.0 [0,0,1,0,0,0|3,0,0]=4 287 B6R0.2 CN(C)CC(=O)N CNP0045146.0 [0,0,1,0,0,0|3,0,0]=4 288 B6R0.2 CN(C)CC(=O)O CNP0175140.0 [0,0,1,0,0,0|3,0,0]=4 289 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [0,0,1,0,0,0|3,0,0]=4 290 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [0,0,1,0,0,0|3,0,0]=4 291 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [0,0,1,0,0,0|3,0,0]=4 292 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [0,0,1,0,0,0|3,0,0]=4 293 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [0,0,1,0,0,0|2,0,0]=3 294 B6R0.2 C[C](C)CC(=O)O CNP0606523.0 [0,0,1,0,0,0|2,0,1]=4 295 B6R0.2 C[S+](C)CC(=O)O CNP0149325.0 [0,0,1,0,0,0|3,0,0]=4 296 B6R0.2 C[S+](C)CC(=O)[O-] CNP0153505.0 [0,0,1,0,0,0|3,0,0]=4 297 B6R0.4 C#CNCC(=O)O CNP0073758.0 [0,0,1,0,0,0|1,0,2]=4 298 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,0,1,0,0,0|3,0,0]=4 299 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,0,1,0,0,0|1,0,2]=4 300 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,0,1,0,0,0|1,0,2]=4 301 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,0,1,0,0,0|0,0,2]=3 302 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,0,1,0,0,0|1,0,0]=2 303 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,0,1,0,0,0|3,0,0]=4 304 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,0,1,0,0,0|1,0,2]=4 305 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,0,1,0,0,0|0,0,2]=3 306 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,0,1,0,0,0|3,0,0]=4 307 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,0,1,0,0,0|3,0,0]=4 308 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,0,1,0,0,0|3,0,0]=4 309 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,0,1,0,0,0|3,0,0]=4 310 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,0,1,0,0,0|3,0,0]=4 311 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,0,1,0,0,0|3,0,0]=4 312 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,0,1,0,0,0|1,0,2]=4 313 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,0,1,0,0,0|2,0,1]=4 314 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,0,1,0,0,0|1,0,0]=2 315 B6R0.4 CC(C)CCCO CNP0344466.0 [0,0,1,0,0,0|1,0,2]=4 316 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,0,1,0,0,0|2,0,0]=3 317 B6R0.4 CC(C)COC=O CNP0232692.0 [0,0,1,0,0,0|2,0,0]=3 318 B6R0.4 CC(C)CON=O CNP0224607.0 [0,0,1,0,0,0|3,0,0]=4 319 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,0,1,0,0,0|0,0,2]=3 320 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,0,1,0,0,0|2,0,1]=4 321 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,0,1,0,0,0|1,0,1]=3 322 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,0,1,0,0,0|1,0,2]=4 323 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,0,1,0,0,0|0,0,2]=3 324 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,0,1,0,0,0|1,0,1]=3 325 B6R0.4 CCCCB(O)O CNP0482760.0 [0,0,1,0,0,0|1,0,1]=3 326 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,0,1,0,0,0|1,0,0]=2 327 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,0,1,0,0,0|1,0,0]=2 328 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,0,1,0,0,0|0,0,0]=1 329 B6R0.4 CCCCC(C)C CNP0312749.0 [0,0,1,0,0,0|2,0,1]=4 330 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,0,1,0,0,0|0,0,0]=1 331 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,0,1,0,0,0|1,0,1]=3 332 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,0,1,0,0,0|1,0,1]=3 333 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,0,1,0,0,0|2,0,0]=3 334 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,0,1,0,0,0|2,0,0]=3 335 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,0,1,0,0,0|2,0,0]=3 336 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,0,1,0,0,0|1,0,0]=2 337 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,0,1,0,0,0|2,0,0]=3 338 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,0,1,0,0,0|1,0,0]=2 339 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,0,1,0,0,0|2,0,1]=4 340 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,0,1,0,0,0|1,0,0]=2 341 B6R0.4 CNCCC(C)C CNP0254439.0 [0,0,1,0,0,0|3,0,0]=4 342 B6R0.4 COCCC(C)C CNP0316382.0 [0,0,1,0,0,0|3,0,0]=4 343 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,0,1,0,0,0|1,0,2]=4 344 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,0,1,0,0,0|2,0,0]=3 345 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,0,1,0,0,0|2,0,0]=3 346 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,0,1,0,0,0|1,0,0]=2 347 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,0,1,0,0,0|2,0,0]=3 348 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,0,1,0,0,0|1,0,1]=3 350 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,0,1,0,0,0|2,0,0]=3 351 B6R0.4 N=CNCC(=O)O CNP0218776.0 [0,0,1,0,0,0|2,0,1]=4 352 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,0,1,0,0,0|2,0,0]=3 353 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,0,1,0,0,0|1,0,2]=4 354 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,0,1,0,0,0|1,0,0]=2 355 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,0,1,0,0,0|1,0,2]=4 356 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,0,1,0,0,0|1,0,0]=2 357 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,0,1,0,0,0|1,0,1]=3 358 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,0,1,0,0,0|1,0,1]=3 359 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,0,1,0,0,0|2,0,1]=4 360 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,0,1,0,0,0|2,0,1]=4 361 B8R2.8 CC12CCC1(C2)C CNP0076854.0 [0,0,0,1,0,0|2,0,1]=4 362 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,1,0,0|0,0,2]=3 363 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,0,1,0|0,0,0]=1 364 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,0,1,0|2,0,1]=4 365 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [0,0,0,0,1,0|0,0,0]=1 366 B6R1.5 O=C1C[C@@H](O1)O CNP0300715.1 [0,0,0,0,1,0|1,0,0]=2 367 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,0,0,0,0,1|1,0,1]=3 368 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,0,0,0,0,1|1,0,0]=2 369 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,0,0,0,0,1|0,0,0]=1 370 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,0,0,0,0,1|3,0,0]=4 371 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,0,0,0,0,1|2,0,0]=3 372 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,0,0,0,0,1|1,1,1]=4 373 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,0,0,0,0,1|2,0,1]=4 374 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,0,0,0,0,1|1,0,2]=4 375 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,0,0,0,0,1|2,0,1]=4 376 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,0,0,0,0,1|2,0,1]=4 377 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,0,0,0,0,1|3,0,0]=4 378 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,0,0,0,0,1|3,0,0]=4 379 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,0,0,0,0,1|2,0,1]=4 380 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,0,0,0,0,1|1,0,1]=3 381 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,0,1|1,0,1]=3 382 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,1|1,0,1]=3 383 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,0,1|1,0,1]=3 384 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,0,0,1|2,0,0]=3 385 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,1|2,0,1]=4 386 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,1|1,0,1]=3 387 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,1|1,0,0]=2 389 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,1|1,0,2]=4 390 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,0,0,1|3,0,0]=4 391 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,1|1,0,1]=3 392 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,0,0,1|1,0,0]=2 393 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,1|0,0,1]=2 394 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,0,0,1|1,0,0]=2 395 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,0,0,1|0,0,0]=1 396 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,0,0,1|2,0,1]=4 397 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,0,0,1|1,0,2]=4 398 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,0,0,1|2,0,1]=4 399 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,0,0,1|1,0,2]=4 401 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,0,0,1|2,0,1]=4 402 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,1|0,0,1]=2 403 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,0,0,1|1,0,0]=2 404 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,0,0,1|0,0,0]=1 405 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,0,0,1|1,0,2]=4 406 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,0,0,1|1,0,2]=4 407 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,0,0,1|0,1,0]=2 408 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,0,0,1|1,0,1]=3 409 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,0,0,1|2,0,1]=4 410 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,0,0,1|2,0,1]=4 411 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,0,0,1|1,0,1]=3 412 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,0,0,0,0,1|2,0,1]=4 413 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,0,1,0,0,0|0,0,2]=4 414 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,1,0,0,0|2,0,0]=4 415 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,1,0,0,0|1,0,0]=3 416 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|0,0,2]=4 417 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,1,0,0,0|1,0,1]=4 418 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,1,0,0,0|0,0,1]=3 419 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|0,0,2]=4 420 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,1,0,0,0|0,0,1]=3 421 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|1,0,1]=4 422 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,1,0,0,0|2,0,0]=4 423 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,1,0,0,0|2,0,0]=4 424 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,1,0,0,0|1,0,0]=3 425 B5R0.1 CC(C)C=CO CNP0546358.0 [1,0,1,0,0,0|1,0,1]=4 426 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,1,0,0,0|1,0,0]=3 427 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,1,0,0,0|2,0,0]=4 428 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,1,0,0,0|1,0,1]=4 429 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,1,0,0,0|1,1,0]=4 430 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,0,1,0,0,0|1,0,1]=4 431 B5R0.1 CC(C)OC=O CNP0079775.0 [1,0,1,0,0,0|0,0,0]=2 432 B5R0.1 CC(C)ON=N CNP0504626.0 [1,0,1,0,0,0|2,0,0]=4 433 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,1,0,0,0|0,1,0]=3 434 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,1,0,0,0|0,2,0]=4 435 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|1,0,1]=4 436 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|0,0,2]=4 437 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,1,0,0,0|1,0,0]=3 438 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|1,0,1]=4 439 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,1,0,0,0|2,0,0]=4 440 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|1,0,1]=4 441 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,1,0,0,0|1,0,0]=3 442 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,1,0,0,0|1,0,0]=3 443 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,1,0,0,0|0,0,0]=2 444 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,1,0,0,0|0,0,1]=3 445 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,1,0,0,0|1,0,1]=4 446 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,1,0,0,0|0,1,1]=4 447 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,1,0,0,0|0,0,2]=4 448 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,1,0,0,0|1,1,0]=4 449 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,1,0,0,0|0,0,1]=3 450 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,1,0,0,0|0,0,1]=3 451 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,1,0,0,0|1,0,0]=3 452 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,1,0,0,0|0,0,0]=2 453 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,1,0,0,0|1,0,0]=3 454 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,1,0,0,0|1,0,0]=3 455 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,1,0,0,0|0,0,1]=3 456 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,1,0,0,0|0,0,0]=2 457 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,1,0,0,0|0,1,0]=3 458 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,1,0,0,0|0,1,1]=4 459 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,1,0,0,0|2,0,0]=4 460 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,1,0,0,0|1,0,0]=3 461 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,1,0,0,0|1,0,0]=3 462 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,1,0,0,0|1,0,1]=4 463 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,1,0,0,0|2,0,0]=4 464 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,1,0,0,0|2,0,0]=4 465 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,1,0,0,0|1,0,0]=3 466 B5R0.1 COCC(C)C CNP0528468.0 [1,0,1,0,0,0|2,0,0]=4 467 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,1,0,0,0|2,0,0]=4 468 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,1,0,0,0|1,0,0]=3 469 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,1,0,0,0|2,0,0]=4 470 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,1,0,0,0|1,1,0]=4 471 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,0,1,0,0,0|1,0,1]=4 472 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,1,0,0,0|0,0,0]=2 473 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,1,0,0,0|0,0,1]=3 474 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,1,0,0,0|0,0,1]=3 475 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,1,0,0,0|1,0,0]=3 476 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,1,0,0,0|1,0,0]=3 477 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,0,1,0,0,0|1,0,1]=4 478 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,1,0,0,0|1,0,0]=3 479 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,1,0,0,0|2,0,0]=4 480 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,1,0,0,0|2,0,0]=4 481 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,1,0,0,0|2,0,0]=4 482 B5R0.1 NOCC(=O)O CNP0293826.0 [1,0,1,0,0,0|2,0,0]=4 483 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,1,0,0,0|1,0,0]=3 484 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,1,0,0,0|1,0,0]=3 485 B5R0.1 O=C(O)CNO CNP0316873.0 [1,0,1,0,0,0|2,0,0]=4 486 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,0,1,0,0,0|1,0,1]=4 487 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,0,1,0,0,0|1,0,1]=4 488 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,1,0,0,0|0,0,2]=4 489 B5R0.2 C=CCCCC CNP0264947.0 [1,0,1,0,0,0|1,0,0]=3 490 B5R0.2 C=CCCCO CNP0003396.0 [1,0,1,0,0,0|1,0,0]=3 491 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|0,0,2]=4 492 B5R0.2 C=CCSCC CNP0261096.0 [1,0,1,0,0,0|2,0,0]=4 493 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 494 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|1,0,1]=4 495 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|1,0,1]=4 496 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,2]=4 497 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|2,0,0]=4 498 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|2,0,0]=4 499 B5R0.2 CCC=NNC CNP0543863.0 [1,0,1,0,0,0|2,0,0]=4 500 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,1]=3 501 B5R0.2 CCCC=NO CNP0071145.0 [1,0,1,0,0,0|1,0,1]=4 502 B5R0.2 CCCCC#N CNP0357663.0 [1,0,1,0,0,0|1,0,1]=4 503 B5R0.2 CCCCC=O CNP0361186.0 [1,0,1,0,0,0|0,0,0]=2 504 B5R0.2 CCCCCBr CNP0018690.0 [1,0,1,0,0,0|1,0,1]=4 505 B5R0.2 CCCCCC CNP0269021.0 [1,0,1,0,0,0|1,0,1]=4 506 B5R0.2 CCCCCI CNP0017763.0 [1,0,1,0,0,0|1,0,1]=4 507 B5R0.2 CCCCCN CNP0203183.0 [1,0,1,0,0,0|1,0,1]=4 508 B5R0.2 CCCCCO CNP0244882.0 [1,0,1,0,0,0|0,0,1]=3 509 B5R0.2 CCCCCS CNP0260876.0 [1,0,1,0,0,0|0,1,1]=4 510 B5R0.2 CCCCNC CNP0277639.0 [1,0,1,0,0,0|2,0,0]=4 511 B5R0.2 CCCCOC CNP0609033.0 [1,0,1,0,0,0|2,0,0]=4 512 B5R0.2 CCCCSC CNP0562965.0 [1,0,1,0,0,0|2,0,0]=4 513 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,1,0,0,0|1,0,0]=3 514 B5R0.2 CCCOC=O CNP0326097.0 [1,0,1,0,0,0|0,0,0]=2 515 B5R0.2 CCCSCC CNP0316215.0 [1,0,1,0,0,0|0,1,1]=4 516 B5R0.2 CCNCCO CNP0396370.0 [1,0,1,0,0,0|1,0,1]=4 517 B5R0.2 CCOCCO CNP0319988.0 [1,0,1,0,0,0|1,0,1]=4 518 B5R0.2 CCSSCC CNP0416624.0 [1,0,1,0,0,0|1,1,0]=4 519 B5R0.2 CSCCC=O CNP0136743.0 [1,0,1,0,0,0|1,0,0]=3 520 B5R0.2 CSCCCO CNP0359993.0 [1,0,1,0,0,0|1,0,1]=4 521 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,1,0,0,0|1,0,1]=4 522 B5R0.2 N#CCCCO CNP0358912.0 [1,0,1,0,0,0|1,0,1]=4 523 B5R0.2 NCCCC=O CNP0359033.0 [1,0,1,0,0,0|1,0,0]=3 524 B5R0.2 NCCCCO CNP0514594.0 [1,0,1,0,0,0|1,0,1]=4 525 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|0,0,2]=4 526 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,1,0,0,0|0,0,2]=4 527 B5R0.2 OCCCCBr CNP0083982.0 [1,0,1,0,0,0|1,0,1]=4 528 B5R0.2 OCCCCCl CNP0079807.0 [1,0,1,0,0,0|1,0,1]=4 529 B5R0.2 OCCCCO CNP0080008.0 [1,0,1,0,0,0|0,0,2]=4 530 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,1,0,0,0|2,0,0]=4 531 B5R0.3 C#CC(=O)OC CNP0572702.0 [1,0,1,0,0,0|0,0,2]=4 532 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|0,0,2]=4 533 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|0,0,2]=4 534 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|0,0,2]=4 535 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,1,0,0,0|2,0,0]=4 536 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,1,0,0,0|2,0,0]=4 537 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,1,0,0,0|2,0,0]=4 538 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,1,0,0,0|0,0,2]=4 539 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|1,0,1]=4 540 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|0,1,1]=4 541 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,1,0,0,0|1,0,1]=4 542 B5R0.3 CCC(=O)CC CNP0270305.0 [1,0,1,0,0,0|0,0,0]=2 543 B5R0.3 CCC(=O)CO CNP0165007.0 [1,0,1,0,0,0|1,0,0]=3 544 B5R0.3 CCC(=O)NN CNP0281170.0 [1,0,1,0,0,0|2,0,0]=4 545 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,1,0,0,0|0,0,0]=2 546 B5R0.3 CCC(=O)SC CNP0240172.0 [1,0,1,0,0,0|0,1,0]=3 547 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,1,0,0,0|1,0,1]=4 548 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,1,0,0,0|0,1,1]=4 549 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,1,0,0,0|1,0,1]=4 550 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,1,0,0,0|0,0,2]=4 551 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,1,0,0,0|0,0,0]=2 552 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,1,0,0,0|0,0,2]=4 553 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,1,0,0,0|1,0,1]=4 554 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,1,0,0,0|0,0,0]=2 555 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,1,0,0,0|1,0,1]=4 556 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,1,0,0,0|0,0,2]=4 557 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,1,0,0,0|1,0,1]=4 558 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,1,0,0,0|2,0,0]=4 559 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,1,0,0,0|2,0,0]=4 560 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,1,0,0,0|2,0,0]=4 561 B5R0.3 CNC(=O)NC CNP0028412.0 [1,0,1,0,0,0|2,0,0]=4 562 B5R0.3 CNC(=O)OC CNP0483114.0 [1,0,1,0,0,0|1,0,0]=3 563 B5R0.3 COC(=O)CI CNP0017842.0 [1,0,1,0,0,0|1,0,0]=3 564 B5R0.3 COC(=O)NN CNP0033099.0 [1,0,1,0,0,0|2,0,0]=4 565 B5R0.3 COC(C)CO CNP0485411.0 [1,0,1,0,0,0|1,0,1]=4 566 B5R0.3 COC(C)OC CNP0122626.0 [1,0,1,0,0,0|1,0,1]=4 567 B5R0.3 O=C(CBr)CBr CNP0132836.0 [1,0,1,0,0,0|2,0,0]=4 568 B5R0.3 O=C(CBr)CI CNP0145168.0 [1,0,1,0,0,0|2,0,0]=4 569 B5R0.3 O=C(CCl)CBr CNP0149884.0 [1,0,1,0,0,0|2,0,0]=4 570 B5R0.3 O=C(CCl)CCl CNP0301990.0 [1,0,1,0,0,0|2,0,0]=4 571 B5R0.3 O=C(CCl)CI CNP0408833.0 [1,0,1,0,0,0|2,0,0]=4 572 B5R0.3 O=C(CO)CCl CNP0281226.0 [1,0,1,0,0,0|2,0,0]=4 573 B5R0.3 O=C(CO)CO CNP0303926.0 [1,0,1,0,0,0|2,0,0]=4 574 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,1,0,0,0|2,0,0]=4 575 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [1,0,1,0,0,0|2,0,0]=4 576 B5R1.1 C1=CCCC1 CNP0534738.0 [2,0,0,0,0,0|1,0,0]=3 577 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|2,0,0]=4 578 B5R1.1 C1=CNCC1 CNP0527065.0 [2,0,0,0,0,0|1,0,1]=4 579 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,0,1]=3 580 B5R1.1 C1=CSCC1 CNP0496655.0 [2,0,0,0,0,0|0,1,1]=4 581 B5R1.1 C1=NCCC1 CNP0581055.0 [2,0,0,0,0,0|1,0,0]=3 582 B5R1.1 C1=PCCC1 CNP0609027.0 [2,0,0,0,0,0|1,0,0]=3 583 B5R1.1 C1CCCC1 CNP0566364.0 [2,0,0,0,0,0|1,0,1]=4 584 B5R1.1 C1CCNC1 CNP0572990.0 [2,0,0,0,0,0|1,0,1]=4 585 B5R1.1 C1CCOC1 CNP0507941.0 [2,0,0,0,0,0|0,0,1]=3 586 B5R1.1 C1CCPC1 CNP0598418.0 [2,0,0,0,0,0|1,0,1]=4 587 B5R1.1 C1CCSC1 CNP0569262.0 [2,0,0,0,0,0|0,1,1]=4 588 B5R1.1 C1COCO1 CNP0568859.0 [2,0,0,0,0,0|1,0,1]=4 589 B5R1.1 C1CSSC1 CNP0501166.0 [2,0,0,0,0,0|1,1,0]=4 590 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,1,0,0,0|1,0,1]=4 592 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,1,1,0,0,0|2,0,0]=4 593 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,1,0,0,0|1,0,1]=4 594 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,1,0,0,0|1,0,1]=4 595 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,1,0,0,0|1,0,1]=4 596 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [0,1,1,0,0,0|1,0,0]=3 597 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,1,1,0,0,0|1,0,1]=4 598 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [0,1,1,0,0,0|0,0,0]=2 599 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,1,0,0,0|1,0,0]=3 600 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,1,1,0,0,0|1,0,0]=3 601 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,1,1,0,0,0|0,0,0]=2 602 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,1,1,0,0,0|1,0,0]=3 603 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,1,1,0,0,0|1,0,0]=3 604 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,1,1,0,0,0|1,0,0]=3 605 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,1,1,0,0,0|1,1,0]=4 606 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,1,1,0,0,0|1,1,0]=4 607 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,1,1,0,0,0|0,0,0]=2 608 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,1,1,0,0,0|2,0,0]=4 609 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,1,1,0,0,0|2,0,0]=4 610 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [0,1,1,0,0,0|2,0,0]=4 611 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [0,1,1,0,0,0|2,0,0]=4 612 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [0,1,1,0,0,0|2,0,0]=4 613 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [0,1,1,0,0,0|2,0,0]=4 614 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [0,1,1,0,0,0|2,0,0]=4 615 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,1,0,0,0|2,0,0]=4 616 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,1,1,0,0,0|0,0,2]=4 617 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,1,0,0,0|0,1,1]=4 618 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,1,0,0,0|1,0,0]=3 619 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,1,0,0,0|0,0,0]=2 620 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,1,0,0,0|1,0,0]=3 621 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,1,0,0,0|2,0,0]=4 622 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,1,0,0,0|1,0,0]=3 623 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,1,0,0,0|2,0,0]=4 624 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,1,0,0,0|0,0,0]=2 625 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,1,1,0,0,0|1,0,0]=3 626 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,1,1,0,0,0|2,0,0]=4 627 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,1,0,0,0|1,1,0]=4 628 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,1,0,0,0|1,1,0]=4 629 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,1,1,0,0,0|2,0,0]=4 630 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [0,1,1,0,0,0|0,0,1]=3 631 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [0,1,1,0,0,0|0,0,2]=4 632 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [0,1,1,0,0,0|0,0,2]=4 633 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,1,1,0,0,0|2,0,0]=4 634 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,1,0,0,0|1,0,1]=4 635 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [0,1,1,0,0,0|1,0,0]=3 636 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [0,1,1,0,0,0|1,0,0]=3 637 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [0,1,1,0,0,0|1,0,0]=3 638 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,1,0,0,0|0,0,1]=3 639 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [0,1,1,0,0,0|1,0,0]=3 640 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [0,1,1,0,0,0|0,0,0]=2 641 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [0,1,1,0,0,0|0,0,0]=2 642 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [0,1,1,0,0,0|1,0,0]=3 643 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [0,1,1,0,0,0|0,0,0]=2 644 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [0,1,1,0,0,0|1,0,0]=3 645 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [0,1,1,0,0,0|1,0,0]=3 646 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [0,1,1,0,0,0|0,0,0]=2 647 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,1,0,0,0|2,0,0]=4 648 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,1,0,0,0|1,0,0]=3 649 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,1,0,0,0|0,0,1]=3 650 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,1,0,0,0|1,0,1]=4 651 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,1,0,0,0|1,0,1]=4 652 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,1,0,0,0|1,0,1]=4 653 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,1,0,0,0|0,0,1]=3 654 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,1,0,0,0|2,0,0]=4 655 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,1,0,0,0|2,0,0]=4 656 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,1,0,0,0|1,0,0]=3 657 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,1,0,0,0|0,0,0]=2 658 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,1,0,0,0|0,1,0]=3 659 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,1,0,0,0|1,0,0]=3 660 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,1,0,0,0|1,0,1]=4 661 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,1,0,0,0|0,0,2]=4 662 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,1,0,0,0|0,0,2]=4 663 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,1,0,0,0|0,0,2]=4 664 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,1,0,0,0|0,0,0]=2 665 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,1,0,0,0|0,0,0]=2 666 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,1,0,0,0|0,0,0]=2 667 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,1,0,0,0|0,0,0]=2 668 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,1,0,0,0|1,0,1]=4 669 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,1,1,0,0,0|1,0,0]=3 670 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,1,0,0,0|2,0,0]=4 671 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,1,0,0,0|1,0,1]=4 672 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [0,1,1,0,0,0|1,0,0]=3 673 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,1,0,0,0|1,0,0]=3 674 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,1,0,0,0|1,0,0]=3 675 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,1,0,0,0|1,0,0]=3 676 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [0,1,1,0,0,0|2,0,0]=4 677 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,1,0,0,0|2,0,0]=4 678 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [0,1,1,0,0,0|2,0,0]=4 679 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [0,1,1,0,0,0|2,0,0]=4 680 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,1,1,0,0,0|1,0,1]=4 681 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,1,1,0,0,0|2,0,0]=4 682 B7R0.12 CCC=C(CC)CC CNP0530661.0 [0,1,1,0,0,0|2,0,0]=4 683 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,1,1,0,0,0|1,0,0]=3 684 B7R0.9 C=C(C)CC(C)(C)C CNP0205743.0 [0,1,1,0,0,0|2,0,0]=4 685 B7R0.9 CC(=O)CC(C)(C)N CNP0308677.0 [0,1,1,0,0,0|1,0,0]=3 686 B7R0.9 CC(=O)CC(C)(C)O CNP0333881.0 [0,1,1,0,0,0|1,0,0]=3 687 B7R0.9 CC(=O)CC(C)(C)S CNP0003365.0 [0,1,1,0,0,0|1,0,0]=3 688 B7R0.9 CC(=O)C[N+](C)(C)C CNP0490253.0 [0,1,1,0,0,0|2,0,0]=4 689 B7R0.9 CC(C)(C)NC(=O)N CNP0541950.0 [0,1,1,0,0,0|2,0,0]=4 690 B7R0.9 CC(C)(O)CC(=O)O CNP0284455.0 [0,1,1,0,0,0|2,0,0]=4 691 B7R0.9 CC(C)OP(=O)(O)O CNP0588322.0 [0,1,1,0,0,0|2,0,0]=4 692 B7R0.9 CC(C)OS(=O)(=O)C CNP0071159.0 [0,1,1,0,0,0|1,0,0]=3 693 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [0,1,1,0,0,0|2,0,0]=4 694 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [0,1,1,0,0,0|1,0,0]=3 695 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [0,1,1,0,0,0|1,0,0]=3 696 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [0,1,1,0,0,0|1,0,0]=3 697 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [0,1,1,0,0,0|1,0,0]=3 698 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [0,1,1,0,0,0|1,0,0]=3 699 B7R0.16 CC(C)C(=O)C(=O)N CNP0124089.0 [0,1,1,0,0,0|2,0,0]=4 700 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [0,1,1,0,0,0|2,0,0]=4 701 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [0,1,1,0,0,0|2,0,0]=4 702 B7R0.16 CC(C)[C@@H](O)C(=O)N CNP0311908.1 [0,1,1,0,0,0|2,0,0]=4 703 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [0,1,1,0,0,0|2,0,0]=4 704 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [0,1,1,0,0,0|2,0,0]=4 705 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [0,1,1,0,0,0|2,0,0]=4 706 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [0,1,1,0,0,0|2,0,0]=4 707 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,1,0,0,0|1,0,0]=3 708 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,1,1,0,0,0|0,0,1]=3 709 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,1,0,0,0|2,0,0]=4 710 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [0,1,1,0,0,0|0,0,2]=4 711 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,1,0,0,0|0,0,2]=4 712 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,1,0,0,0|0,0,2]=4 713 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,1,1,0,0,0|2,0,0]=4 714 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,1,0,0,0|1,0,0]=3 715 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,1,0,0,0|1,0,0]=3 716 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,1,1,0,0,0|2,0,0]=4 717 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,1,0,0,0|0,0,2]=4 718 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,1,0,0,0|1,0,1]=4 719 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,1,0,0,0|1,0,1]=4 720 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,1,0,0,0|1,0,1]=4 721 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,1,0,0,0|0,0,1]=3 722 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|1,0,1]=4 723 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,1,0,0,0|0,0,1]=3 724 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,1,0,0,0|1,0,1]=4 725 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,1,0,0,0|0,0,1]=3 726 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,1,0,0,0|1,0,0]=3 727 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,1,0,0,0|1,0,0]=3 728 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,1,0,0,0|0,0,0]=2 729 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,1,0,0,0|0,1,0]=3 730 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,1,0,0,0|0,0,0]=2 731 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,1,0,0,0|1,0,1]=4 732 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,1,0,0,0|1,0,1]=4 733 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,1,0,0,0|1,1,0]=4 734 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,1,0,0,0|1,0,0]=3 735 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,1,1,0,0,0|2,0,0]=4 736 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,1,1,0,0,0|2,0,0]=4 737 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,1,0,0,0|1,0,0]=3 738 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,1,0,0,0|0,0,0]=2 739 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,1,0,0,0|0,0,0]=2 740 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,1,0,0,0|1,0,0]=3 741 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,1,1,0,0,0|2,0,0]=4 742 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,1,1,0,0,0|1,0,1]=4 743 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,1,1,0,0,0|0,0,1]=3 744 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,1,1,0,0,0|2,0,0]=4 745 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,1,0,0,0|1,0,0]=3 746 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,1,0,0,0|0,0,0]=2 747 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,1,1,0,0,0|1,0,0]=3 748 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,1,0,0,0|0,0,0]=2 749 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,1,1,0,0,0|1,0,0]=3 750 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,1,1,0,0,0|0,0,1]=3 751 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,1,1,0,0,0|1,0,1]=4 752 B7R0.6 CC(=CCC(=O)O)C CNP0178388.0 [0,1,1,0,0,0|0,0,2]=4 753 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,1,1,0,0,0|0,0,2]=4 754 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,1,1,0,0,0|0,0,1]=3 755 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,1,1,0,0,0|0,0,2]=4 756 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,1,1,0,0,0|0,0,2]=4 757 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,1,1,0,0,0|1,0,0]=3 758 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,1,1,0,0,0|2,0,0]=4 759 B7R0.6 CC(=O)NCC(=O)O CNP0232085.0 [0,1,1,0,0,0|1,0,1]=4 760 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,1,1,0,0,0|2,0,0]=4 761 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,1,1,0,0,0|2,0,0]=4 762 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,1,1,0,0,0|0,0,2]=4 763 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,1,1,0,0,0|1,0,0]=3 764 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,1,1,0,0,0|1,0,0]=3 765 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,1,1,0,0,0|0,0,0]=2 766 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,1,1,0,0,0|1,0,0]=3 767 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,1,1,0,0,0|0,0,0]=2 768 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,1,1,0,0,0|1,0,1]=4 769 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,1,1,0,0,0|1,0,0]=3 770 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,1,1,0,0,0|1,0,0]=3 771 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,1,1,0,0,0|1,0,1]=4 772 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,1,1,0,0,0|1,0,1]=4 773 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,1,1,0,0,0|1,0,0]=3 774 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,1,1,0,0,0|1,0,0]=3 775 B7R0.6 NC(=O)CCC(=O)O CNP0115008.0 [0,1,1,0,0,0|1,0,1]=4 776 B7R0.6 O=C(O)CCC(=O)O CNP0332012.0 [0,1,1,0,0,0|1,0,1]=4 777 B7R0.6 O=C(O)CC[N+](=O)[O-] CNP0337272.0 [0,1,1,0,0,0|2,0,0]=4 778 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,1,1,0,0,0|1,0,0]=3 779 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,1,1,0,0,0|1,0,0]=3 780 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [0,1,1,0,0,0|2,0,0]=4 781 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [0,1,1,0,0,0|2,0,0]=4 782 B7R0.8 CNCCP(=O)(O)O CNP0289826.0 [0,1,1,0,0,0|2,0,0]=4 783 B7R0.8 CNCCS(=O)(=O)O CNP0173861.0 [0,1,1,0,0,0|2,0,0]=4 784 B7R0.8 CSCCS(=O)(=O)O CNP0358914.0 [0,1,1,0,0,0|2,0,0]=4 785 B7R0.8 NCCCS(=O)(=O)O CNP0214317.0 [0,1,1,0,0,0|2,0,0]=4 786 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,1,0,0,0,0|2,0,0]=4 787 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,1,0,0,0,0|1,0,1]=4 788 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,1,0,0,0,0|1,0,1]=4 789 B7R1.1 COC1OCCO1 CNP0076084.0 [1,1,0,0,0,0|1,0,1]=4 790 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,1,0,0,0,0|1,0,1]=4 791 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,1,0,0,0,0|2,0,0]=4 792 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,1,0,0,0,0|2,0,0]=4 793 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,1,0,0,0,0|1,0,1]=4 794 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,1,0,0,0,0|0,0,1]=3 795 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,1,0,0,0,0|1,0,1]=4 796 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,1,0,0,0,0|0,0,1]=3 797 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,1,0,0,0,0|0,0,1]=3 798 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,1,0,0,0,0|2,0,0]=4 799 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,1,0,0,0,0|1,0,1]=4 800 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,1,0,0,0,0|1,0,1]=4 801 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,1,0,0,0,0|0,0,2]=4 802 B7R1.4 CC1COCC1=O CNP0611227.0 [1,1,0,0,0,0|2,0,0]=4 803 B7R1.4 CC1OCCC1O CNP0002607.0 [1,1,0,0,0,0|0,0,1]=3 804 B7R1.4 CC1OCCC1S CNP0002942.0 [1,1,0,0,0,0|0,0,1]=3 805 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,1,0,0,0,0|2,0,0]=4 806 B7R1.4 CC1SCCC1O CNP0179885.0 [1,1,0,0,0,0|0,1,1]=4 807 B7R1.4 CC1SCCC1S CNP0002610.0 [1,1,0,0,0,0|0,1,1]=4 808 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,1,0,0,0,0|1,0,0]=3 809 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,1,0,0,0,0|1,1,0]=4 810 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,1,0,0,0,0|1,0,0]=3 811 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,1,0,0,0,0|1,0,1]=4 812 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,1,0,0,0,0|1,0,1]=4 813 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,1,0,0,0,0|1,0,1]=4 814 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,1,0,0,0,0|0,0,0]=2 815 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [1,1,0,0,0,0|1,1,0]=4 816 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,1,0,0,0,0|0,0,2]=4 817 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,1,0,0,0,0|1,0,0]=3 818 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,1,0,0,0,0|1,0,1]=4 819 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,1,0,0,0,0|0,0,0]=2 820 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,1,0,0,0,0|0,0,2]=4 821 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,1,0,0,0,0|0,0,0]=2 822 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [1,1,0,0,0,0|2,0,0]=4 823 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,1,0,0,0,0|0,0,0]=2 824 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,1,0,0,0,0|0,1,0]=3 825 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [1,1,0,0,0,0|2,0,0]=4 826 B7R1.4 O=C1CCC=C1O CNP0104225.0 [1,1,0,0,0,0|1,0,1]=4 827 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,1,0,0,0,0|1,0,0]=3 828 B7R1.4 O=C1COCC1S CNP0188638.0 [1,1,0,0,0,0|2,0,0]=4 829 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,1,0,0,0,0|1,0,0]=3 830 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,1,0,0,0,0|0,0,2]=4 831 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [1,1,0,0,0,0|0,0,1]=3 832 B7R1.14 CC1(CCCC1)C CNP0125073.0 [1,1,0,0,0,0|1,0,1]=4 833 B7R1.14 CC1(CCCC1)O CNP0579828.0 [1,1,0,0,0,0|1,0,1]=4 834 B7R1.14 CC1(CCCS1)S CNP0002611.0 [1,1,0,0,0,0|0,1,1]=4 835 B7R1.14 CC1(CCSS1)C CNP0245767.0 [1,1,0,0,0,0|1,1,0]=4 836 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [1,1,0,0,0,0|2,0,0]=4 837 B7R1.8 CCC1CCC1O CNP0521190.0 [0,1,0,0,1,0|0,0,2]=4 838 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,0,1,0|2,0,0]=4 839 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,0,1,0|0,0,0]=2 840 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,1,0,0,0,1|1,0,0]=3 841 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,1,0,0,0,1|1,0,0]=3 843 B9R1.10 CC1=CCC(CC1)(C)C CNP0293216.0 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.10 C[C@]1(C=CC(=O)CC1)O CNP0288961.1 [0,1,0,0,0,1|1,0,0]=3 845 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,0,0,1|0,0,1]=3 846 B9R1.69 CC1=CCC(=O)[C@H](C1)C CNP0328483.1 [0,1,0,0,0,1|1,0,1]=4 847 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,0,0,1|1,0,0]=3 848 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,0,0,1|1,0,0]=3 849 B9R1.69 CC1CNC(=O)NC1=O CNP0349997.0 [0,1,0,0,0,1|2,0,0]=4 850 B9R1.69 CN1CCC(=O)NC1=O CNP0053056.0 [0,1,0,0,0,1|2,0,0]=4 851 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,0,0,1|0,0,0]=2 852 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,0,0,1|1,0,1]=4 853 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,0,0,1|1,0,1]=4 854 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,0,0,1|1,0,1]=4 855 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0205003.3 [0,1,0,0,0,1|0,0,2]=4 856 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0205003.2 [0,1,0,0,0,1|0,0,2]=4 857 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0205003.1 [0,1,0,0,0,1|0,0,2]=4 858 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,0,0,1|0,0,0]=2 859 B9R1.69 C[C@H]1C[C@H](C=CC1=O)O CNP0114089.1 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.69 C[C@H]1O[C@@H](CCC1=O)O CNP0334218.1 [0,1,0,0,0,1|1,0,0]=3 861 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,0,0,1|1,0,0]=3 862 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,0,0,1|0,0,0]=2 863 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,0,0,1|1,0,1]=4 864 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,0,0,1|1,0,1]=4 865 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,0,0,1|0,0,2]=4 866 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,0,0,1|0,0,2]=4 867 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,0,0,1|1,0,0]=3 868 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,0,0,1|0,0,2]=4 869 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,0,0,1|0,0,2]=4 870 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,0,0,1|1,0,1]=4 871 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,0,0,1|1,0,0]=3 872 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,0,0,1|2,0,0]=4 873 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,0,0,1|2,0,0]=4 874 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,0,0,1|2,0,0]=4 875 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,0,0,1|2,0,0]=4 876 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,0,0,1|2,0,0]=4 877 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,1|1,0,1]=4 878 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,1,0,0,0,1|0,1,0]=3 879 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,1,0,0,0,1|0,1,0]=3 880 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,0,0,1|0,0,1]=3 881 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,0,0,1|0,0,1]=3 882 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,0,0,1|0,0,0]=2 883 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,0,0,1|0,0,1]=3 884 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,0,0,1|0,0,0]=2 885 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,0,0,1|1,0,1]=4 886 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,0,0,1|1,0,0]=3 887 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,0,0,1|1,0,0]=3 888 B9R1.7 C=CC[C@H]1CN=C(O1)S CNP0609282.1 [0,2,0,0,0,0|1,1,0]=4 889 B9R1.7 C=CC[C@H]1CNC(=S)O1 CNP0146659.1 [0,2,0,0,0,0|1,1,0]=4 890 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,2,0,0,0,0|1,0,1]=4 891 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,2,0,0,0,0|0,0,0]=2 892 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,2,0,0,0,0|0,0,0]=2 893 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,2,0,0,0,0|0,0,0]=2 894 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,2,0,0,0,0|1,0,1]=4 895 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,2,0,0,0,0|1,0,1]=4 896 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO CNP0531735.1 [0,2,0,0,0,0|0,0,2]=4 897 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,2,0,0,0,0|0,0,2]=4 898 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [0,2,0,0,0,0|0,0,2]=4 899 B9R1.22 CC1CC(C(N1)C=O)O CNP0538839.0 [0,2,0,0,0,0|1,0,1]=4 900 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,2,0,0,0,0|0,0,0]=2 901 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,2,0,0,0,0|0,0,2]=4 902 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,2,0,0,0,0|0,0,0]=2 903 B9R1.22 OC[C@@H]1O[C@@H](C[C@H]1O)O CNP0146341.2 [0,2,0,0,0,0|0,0,2]=4 904 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O CNP0146341.1 [0,2,0,0,0,0|0,0,2]=4 905 B9R1.22 OC[C@H]1O[C@H](C[C@@H]1O)O CNP0146341.3 [0,2,0,0,0,0|0,0,2]=4 906 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,2,0,0,0,0|0,0,2]=4 907 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,2,0,0,0,0|0,0,0]=2 908 B9R1.35 CC(=O)[C@@H]1CCC(=O)O1 CNP0235501.1 [0,2,0,0,0,0|0,0,0]=2 909 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,2,0,0,0,0|1,0,1]=4 910 B9R1.35 CC(C)[C@@H]1CCC(=O)O1 CNP0292712.2 [0,2,0,0,0,0|0,0,0]=2 911 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,2,0,0,0,0|0,0,2]=4 912 B9R1.35 CC(C)[C@H]1CCC(=O)O1 CNP0292712.1 [0,2,0,0,0,0|0,0,0]=2 913 B9R1.35 CC(O)C1COC(=O)C1 CNP0564312.0 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,2,0,0,0,0|1,0,1]=4 915 B9R1.35 C[C@@H](O)[C@@H]1CCC(=O)O1 CNP0205569.1 [0,2,0,0,0,0|0,0,0]=2 916 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,2,0,0,0,0|0,0,2]=4 917 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,2,0,0,0,0|1,0,1]=4 918 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,2,0,0,0,0|0,0,2]=4 919 B9R1.35 C[C@H](O)[C@H]1CCC(=O)O1 CNP0205569.2 [0,2,0,0,0,0|0,0,0]=2 920 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,2,0,0,0,0|1,0,1]=4 921 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CNP0295319.2 [0,2,0,0,0,0|1,0,1]=4 922 B9R1.35 NC(=O)[C@H]1CCC(=O)N1 CNP0295319.1 [0,2,0,0,0,0|1,0,1]=4 923 B9R1.35 NC(=O)[C@H]1CCC(=O)O1 CNP0031489.1 [0,2,0,0,0,0|0,0,1]=3 924 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,2,0,0,0,0|1,0,1]=4 925 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,2,0,0,0,0|0,0,1]=3 926 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,2,0,0,0,0|1,0,1]=4 927 B9R1.125 C=CC1(C=CC(=O)O1)C CNP0559463.0 [0,2,0,0,0,0|0,0,2]=4 928 B9R1.125 C=CC1(CCC(=O)O1)C CNP0341884.0 [0,2,0,0,0,0|0,0,0]=2 929 B9R1.125 CC1(CC=C(O1)O)C=O CNP0546690.0 [0,2,0,0,0,0|0,0,2]=4 930 B9R1.125 CC1=CCC(O1)(C)C=O CNP0561487.0 [0,2,0,0,0,0|1,0,1]=4 931 B9R1.125 CCC1(COC(=O)C1)C CNP0300906.0 [0,2,0,0,0,0|2,0,0]=4 932 B9R1.125 CC[C@@]1(CNC(=S)O1)C CNP0282162.1 [0,2,0,0,0,0|1,1,0]=4 933 B9R1.125 CC[C@]1(CN=C(O1)S)C CNP0535131.1 [0,2,0,0,0,0|1,1,0]=4 934 B9R1.125 CC[C@]1(CNC(=S)O1)C CNP0282162.2 [0,2,0,0,0,0|1,1,0]=4 935 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,2,0,0,0,0|0,0,2]=4 936 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,2,0,0,0,0|1,0,1]=4 937 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,2,0,0,0,0|1,0,0]=3 938 B9R1.133 CC1(OC[C@@H](O1)C=O)C CNP0250555.1 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [0,2,0,0,0,0|0,0,2]=4 940 B9R1.36 C[C@H]1CC(CC1=O)(C)C CNP0151852.1 [0,2,0,0,0,0|1,0,0]=3 941 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,2,0,0,0,0|0,0,1]=3 942 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,2,0,0,0,0|1,0,1]=4 943 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,2,0,0,0,0|0,0,2]=4 944 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,2,0,0,0,0|0,0,2]=4 945 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,2,0,0,0,0|0,0,2]=4 946 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,2,0,0,0,0|1,0,1]=4 947 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,2,0,0,0,0|1,0,1]=4 948 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,2,0,0,0,0|1,0,1]=4 949 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,2,0,0,0,0|0,0,2]=4 950 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,2,0,0,0,0|0,0,2]=4 951 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,2,0,0,0,0|1,0,1]=4 952 B9R1.37 CC1=CC(=O)[C@H]([C@@H]1O)O CNP0355647.1 [0,2,0,0,0,0|1,0,1]=4 953 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,2,0,0,0,0|1,0,0]=3 954 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,2,0,0,0,0|1,0,0]=3 955 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,2,0,0,0,0|1,0,0]=3 956 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,2,0,0,0,0|0,0,0]=2 957 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,2,0,0,0,0|0,0,0]=2 958 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,2,0,0,0,0|0,0,0]=2 959 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,2,0,0,0,0|0,0,0]=2 960 B9R1.38 CC1(OC(=O)N=C1O)C CNP0372072.0 [0,2,0,0,0,0|1,0,1]=4 961 B9R1.38 CC1(OC(=O)NC1=O)C CNP0571707.0 [0,2,0,0,0,0|1,0,1]=4 962 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [0,2,0,0,0,0|1,0,1]=4 963 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,2,0,0,0,0|1,0,1]=4 964 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,2,0,0,0,0|1,0,1]=4 965 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,2,0,0,0,0|1,0,1]=4 966 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,2,0,0,0,0|2,0,0]=4 967 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,2,0,0,0,0|1,0,1]=4 968 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,2,0,0,0,0|1,0,0]=3 969 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,2,0,0,0,0|1,0,0]=3 970 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [0,2,0,0,0,0|2,0,0]=4 971 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [0,2,0,0,0,0|2,0,0]=4 973 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.146 CC1(CCC(O1)(C)C)C CNP0103388.0 [0,2,0,0,0,0|1,0,1]=4 975 B9R1.198 CS1(=O)(CCC(=O)O1)O CNP0407926.0 [0,2,0,0,0,0|1,0,0]=3 976 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,1,1,0,0|2,0,0]=4 977 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,1,1,0,0|2,0,0]=4 978 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,1,1,0,0|1,0,1]=4 979 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,1,1,0,0|0,0,2]=4 980 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,1,1,0,0|2,0,0]=4 981 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,1,1,0,0|1,0,1]=4 982 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,1,1,0,0|0,0,2]=4 983 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,1,1,0,0|1,0,1]=4 984 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,1,1,0,0|1,0,0]=3 985 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,1,1,0,0|1,0,0]=3 986 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,1,1,0,0|0,0,0]=2 987 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,1,1,0,0|2,0,0]=4 988 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,1,1,0,0|2,0,0]=4 989 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,1,1,0,0|1,0,1]=4 990 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,1,1,0,0|1,0,1]=4 991 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,0,1,1,0,0|1,1,0]=4 992 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [0,0,1,1,0,0|2,0,0]=4 993 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,1,1,0,0|1,0,1]=4 994 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,1,1,0,0|2,0,0]=4 995 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,1,1,0,0|1,0,0]=3 996 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,1,1,0,0|1,0,0]=3 997 B7R2.13 C1CC2CC2C1 CNP0612213.0 [1,0,0,1,0,0|1,0,1]=4 998 B9R2.19 C=C1CC[C@H]2C[C@@H]1C2 CNP0276296.1 [0,0,0,1,0,1|2,0,0]=4 999 B9R2.19 CC1=CC[C@H]2C[C@@H]1C2 CNP0261167.1 [0,0,0,1,0,1|2,0,0]=4 1000 B9R2.19 O=C1CCC2CC1C2 CNP0336900.0 [0,0,0,1,0,1|1,0,0]=3 1001 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,1,0,1|1,0,1]=4 1002 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,0,1|1,0,0]=3 1003 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,1,0,1|2,0,0]=4 1004 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,1,0,1|1,0,0]=3 1005 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,1,0,1|2,0,0]=4 1006 B5R0.5 C=C(C)C(=O)C CNP0137327.0 [0,0,1,0,1,0|0,0,2]=4 1007 B5R0.5 C=C(C)[C@@H](C)O CNP0221154.1 [0,0,1,0,1,0|2,0,0]=4 1008 B5R0.5 C=C(C)[C@H](C)O CNP0221154.2 [0,0,1,0,1,0|2,0,0]=4 1009 B5R0.5 C=C(O)C(C)C CNP0150035.0 [0,0,1,0,1,0|0,0,2]=4 1010 B5R0.5 CC(=C(C)C)C CNP0192659.0 [0,0,1,0,1,0|1,0,1]=4 1011 B5R0.5 CC(=C(C)O)C CNP0164530.0 [0,0,1,0,1,0|0,0,2]=4 1012 B5R0.5 CC(=O)C(=O)C CNP0153215.0 [0,0,1,0,1,0|1,0,1]=4 1013 B5R0.5 CC(=O)C(Br)Br CNP0186139.0 [0,0,1,0,1,0|2,0,0]=4 1014 B5R0.5 CC(=O)C(C)C CNP0209504.0 [0,0,1,0,1,0|0,0,0]=2 1015 B5R0.5 CC(=O)C(C)S CNP0409589.0 [0,0,1,0,1,0|1,0,0]=3 1016 B5R0.5 CC(=O)C(O)O CNP0547141.0 [0,0,1,0,1,0|2,0,0]=4 1017 B5R0.5 CC(=O)N(C)C CNP0083052.0 [0,0,1,0,1,0|1,0,0]=3 1018 B5R0.5 CC(=O)[C@@H](C)O CNP0395416.2 [0,0,1,0,1,0|1,0,0]=3 1019 B5R0.5 CC(=O)[C@H](C)O CNP0395416.1 [0,0,1,0,1,0|1,0,0]=3 1020 B5R0.5 CC(C)C(=O)Cl CNP0337045.0 [0,0,1,0,1,0|1,0,0]=3 1021 B5R0.5 CC(C)C(=O)N CNP0226996.0 [0,0,1,0,1,0|1,0,0]=3 1022 B5R0.5 CC(C)C(=O)O CNP0197560.0 [0,0,1,0,1,0|1,0,0]=3 1023 B5R0.5 CC(C)C(C)C CNP0183010.0 [0,0,1,0,1,0|1,0,1]=4 1024 B5R0.5 CC(C)N(C)C CNP0419243.0 [0,0,1,0,1,0|2,0,0]=4 1025 B5R0.5 CC(C)[C@@H](C)N CNP0573557.1 [0,0,1,0,1,0|1,0,1]=4 1026 B5R0.5 CC(C)[C@@H](C)O CNP0315380.1 [0,0,1,0,1,0|0,0,2]=4 1027 B5R0.5 CC(C)[C@@H](C)S CNP0316317.1 [0,0,1,0,1,0|0,1,1]=4 1028 B5R0.5 CC(C)[C@H](C)O CNP0315380.2 [0,0,1,0,1,0|0,0,2]=4 1029 B5R0.5 CC(C)[N+](=O)[O-] CNP0587963.0 [0,0,1,0,1,0|2,0,0]=4 1030 B5R0.5 CC(O)C(=O)[O-] CNP0519619.0 [0,0,1,0,1,0|2,0,0]=4 1031 B5R0.5 CC(O)C(=O)[O-] CNP0556254.0 [0,0,1,0,1,0|2,0,0]=4 1032 B5R0.5 CC(O)C(=O)[O-] CNP0561690.0 [0,0,1,0,1,0|2,0,0]=4 1033 B5R0.5 CC(O)C(=O)[O-] CNP0579849.0 [0,0,1,0,1,0|2,0,0]=4 1034 B5R0.5 CC(O)C(=O)[O-] CNP0592207.0 [0,0,1,0,1,0|2,0,0]=4 1035 B5R0.5 C[C@@H](N)C(=O)O CNP0313085.2 [0,0,1,0,1,0|2,0,0]=4 1036 B5R0.5 C[C@@H](O)C(=O)O CNP0232038.2 [0,0,1,0,1,0|2,0,0]=4 1037 B5R0.5 C[C@H](N)C(=O)O CNP0313085.1 [0,0,1,0,1,0|2,0,0]=4 1038 B5R0.5 C[C@H](O)C(=O)O CNP0232038.1 [0,0,1,0,1,0|2,0,0]=4 1039 B5R0.5 C[C@H](S)C(=O)O CNP0223404.1 [0,0,1,0,1,0|2,0,0]=4 1040 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,0,1,0|0,0,1]=3 1041 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,0,1,0|1,0,1]=4 1042 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,0,1,0|0,0,0]=2 1043 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,0,1,0|0,0,2]=4 1044 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,0,1,0|1,0,1]=4 1045 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,0,0,2|2,0,0]=4 1046 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,0,0,0,0,2|1,0,1]=4 1047 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,0,0,0,2|1,0,0]=3 1048 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,0,0,0,2|0,0,0]=2 1049 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,0,0,0,2|1,0,1]=4