0 B9R1.6 CC(=C1CCCCC1)C CNP0493746.0 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CC(=O)C1=CCCCC1 CNP0565095.0 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.6 CC(=O)C1=CCCCN1 CNP0423535.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)C1=NCCCC1 CNP0342346.0 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 CC(=O)C1CCCCC1 CNP0575614.0 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.6 CC(=O)N1CCCCC1 CNP0165296.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.6 CC(=O)N1CCOCC1 CNP0213616.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 CC(C)N1CCCCC1 CNP0270932.0 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.6 ClP(Cl)C1CCCCC1 CNP0588827.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.6 NC(=O)C1CCCCC1 CNP0252967.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.6 NC(=O)C1CCCNC1 CNP0071155.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.6 NC(=O)[C@@H]1CCCCN1 CNP0291303.1 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.6 NC(=O)[C@@H]1CNCCN1 CNP0439932.1 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 NC(=O)[C@H]1CNCCN1 CNP0439932.2 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.6 O=C(Cl)C1CCCCC1 CNP0262938.0 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 O=C(O)C1=CCCCC1 CNP0146896.0 [0,0,0,0,0,0|0,0,2]=2 17 B9R1.6 O=C(O)C1=CCCNC1 CNP0383811.0 [0,0,0,0,0,0|1,0,2]=3 18 B9R1.6 O=C(O)C1=CCNCC1 CNP0216340.0 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 O=C(O)C1=COCCO1 CNP0147356.0 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 O=C(O)C1=NCCCC1 CNP0002372.0 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.6 O=C(O)C1C=CCN=C1 CNP0025301.0 [0,0,0,0,0,0|1,0,3]=4 22 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.6 O=C(O)C1CCNCC1 CNP0070992.0 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.6 O=C(O)C1CSSSC1 CNP0303289.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.6 O=C(O)[C@@H]1CC=CCN1 CNP0116904.1 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.6 O=C(O)[C@@H]1CCC=CN1 CNP0265562.1 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.6 O=C(O)[C@@H]1CCCC=N1 CNP0037714.1 [0,0,0,0,0,0|1,0,1]=2 28 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.6 O=C(O)[C@@H]1CCCNC1 CNP0137943.1 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.6 O=C(O)[C@@H]1CCCNN1 CNP0122625.2 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C(O)[C@@H]1CSCCN1 CNP0414195.1 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 O=C(O)[C@H]1CC=CCC1 CNP0343332.1 [0,0,0,0,0,0|0,0,2]=2 33 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.6 O=C(O)[C@H]1CCCNC1 CNP0137943.2 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 O=C(O)[C@H]1CCCNN1 CNP0122625.1 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.6 S=C(S)N1CCNCC1 CNP0151785.0 [0,0,0,0,0,0|2,2,0]=4 38 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,0,0,0|1,0,2]=4 39 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,0,0,0|1,0,1]=3 40 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,0,0,0|0,0,2]=3 47 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,0,0,0|0,0,2]=3 48 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,0,0,0|0,0,0]=1 49 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,0,0,0|0,0,3]=4 54 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,0,0,0|0,0,3]=4 55 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,0,0,0|0,0,3]=4 57 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,0,0,0|1,0,1]=3 58 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,0,0,0|0,0,3]=4 59 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,0,0,0|1,0,1]=3 60 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,1,0,0,0,0|2,0,1]=4 64 B10R1.13 C=C(C)[C@H]1CC[C@@H](CC1)C CNP0214439.2 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.13 C=C(C)[C@H]1CC[C@H](CC1)C CNP0214439.1 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.13 C=C1CCC(CC1)C(=C)C CNP0372229.0 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.13 C=C1CCC(CC1)C(=C)O CNP0196547.0 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.13 C=C1CCC(CC1)C(=O)C CNP0061704.0 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.13 CC(=C1CCC(CC1)C)C CNP0245988.0 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.13 CC(=O)C1=CC[C@H](CC1)O CNP0282995.1 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.13 CC(=O)N1CCC(=O)CC1 CNP0046291.0 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.13 CC(=O)[C@@H]1CC=C(CC1)C CNP0292588.1 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.13 CC(=O)[C@H]1C=C[C@@H](CC1)C CNP0155762.1 [0,1,0,0,0,0|1,0,2]=4 74 B10R1.13 CC(=O)[C@H]1CC=C(CC1)C CNP0292588.2 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.13 CC(C)C1CCC(CC1)O CNP0080136.0 [0,1,0,0,0,0|2,0,1]=4 76 B10R1.13 CC(C)[C@H]1CC[C@@H](CC1)C CNP0298986.1 [0,1,0,0,0,0|2,0,1]=4 77 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C CNP0298986.2 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 CN1CCN(CC1)C(=O)O CNP0510233.0 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.13 C[C@@H](O)[C@H]1CC[C@@H](CC1)O CNP0080673.1 [0,1,0,0,0,0|1,0,1]=3 81 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O CNP0321866.1 [0,1,0,0,0,0|0,0,0]=1 83 B10R1.13 NC1CCN(CC1)C(=O)O CNP0024130.0 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O CNP0286409.3 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O CNP0286409.4 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O CNP0177670.1 [0,1,0,0,0,0|0,0,0]=1 87 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O CNP0286409.2 [0,1,0,0,0,0|1,0,0]=2 88 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O CNP0286409.1 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.15 CC(=NO)C1CCCCC1 CNP0071065.0 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.15 CCC(=C1CCCCN1)O CNP0382476.0 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,0,0,0|1,0,2]=4 95 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,0,0,0|0,0,2]=3 96 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,0,0,0|0,0,0]=1 97 B10R1.15 COC(=O)C1CSSSC1 CNP0208641.0 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.28 O=P(O)(O)[C@@H]1CCCCN1 CNP0454666.1 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.28 O=P(O)(O)[C@H]1CCCCN1 CNP0454666.2 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.61 C=C(C)C1CCCCC1=C CNP0547861.0 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,1,0,0,0,0|2,0,1]=4 104 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.61 O=C(O)[C@@H]1NCCC[C@@H]1O CNP0137033.2 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.61 O=C(O)[C@H]1NCC=C[C@H]1O CNP0245446.1 [0,1,0,0,0,0|1,0,2]=4 110 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O CNP0137033.1 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.61 O=C(O)[C@H]1NN=CC[C@@H]1O CNP0292849.1 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.113 CC(=O)N1CCC[C@H](C1)C CNP0584694.1 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.113 CC1=NCC[C@H](N1)C(=O)O CNP0261015.1 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.113 CC1=N[C@@H](CCN1)C(=O)O CNP0499597.2 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.113 CC1=N[C@H](CCN1)C(=O)O CNP0499597.1 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.113 CC1=N[C@H](CC[N]1)C(=O)O CNP0547095.1 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.113 CC1CCC[C@@H](N1)C(=O)O CNP0227209.1 [0,1,0,0,0,0|1,0,0]=2 119 B10R1.113 CC1NC(CCS1)C(=O)O CNP0612152.0 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.113 CN1CCC=C(C1)C(=O)O CNP0266221.0 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.113 CN1CCCC(C1)C(=O)O CNP0563532.0 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O CNP0227209.2 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.113 C[C@H]1CCC[C@@H](N1)C(=O)O CNP0227209.3 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.113 NC(=O)[C@@H]1C[C@@H](CCN1)O CNP0424456.1 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.113 N[C@H]1C=C(CCC1)C(=O)O CNP0277153.1 [0,1,0,0,0,0|0,0,2]=3 130 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O CNP0144077.1 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.113 O=C(O)[C@@H]1C[C@@H](CNN1)O CNP0311237.1 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O CNP0144077.3 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.113 O=C(O)[C@@H]1C[S@+](CCN1)[O-] CNP0539312.1 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O CNP0144077.4 [0,1,0,0,0,0|1,0,0]=2 135 B10R1.113 O=C(O)[C@H]1C[C@@H](CNN1)Cl CNP0324795.1 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O CNP0144077.2 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.113 O=C(O)[C@H]1C[C@H](CNN1)O CNP0311237.2 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.113 O=C(O)[C@H]1C[S@+](CCN1)[O-] CNP0539312.2 [0,1,0,0,0,0|2,0,0]=3 139 B10R1.113 O=C1CCCC(C1)C(=O)O CNP0612018.0 [0,1,0,0,0,0|0,0,1]=2 140 B10R1.113 O=C1CCCC(N1)C(=O)O CNP0082266.0 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O CNP0137744.1 [0,1,0,0,0,0|1,0,1]=3 142 B10R1.363 CC1(CCCCC1)C(=O)O CNP0464995.0 [0,1,0,0,0,0|0,0,0]=1 143 B10R1.363 NC1(CCCCC1)C(=O)O CNP0298480.0 [0,1,0,0,0,0|0,0,0]=1 144 B10R1.363 NC1(CCSCC1)C(=O)O CNP0563448.0 [0,1,0,0,0,0|1,0,0]=2 145 B10R1.363 N[C@@]1(CCCSC1)C(=O)O CNP0604228.2 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.363 N[C@]1(CCCSC1)C(=O)O CNP0604228.1 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,0,1,0,0,0|1,0,0]=2 148 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,0,1,0,0,0|1,0,2]=4 149 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,0,1,0,0,0|1,0,2]=4 151 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,0,1,0,0,0|0,0,2]=3 152 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,0,1,0,0,0|1,0,2]=4 153 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,0,1,0,0,0|1,0,2]=4 154 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,0,1,0,0,0|0,0,2]=3 155 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,0,1,0,0,0|1,0,2]=4 156 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,0,1,0,0,0|0,0,2]=3 157 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,0,1,0,0,0|2,0,1]=4 158 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,0,1,0,0,0|1,0,1]=3 159 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,0,1,0,0,0|1,0,0]=2 160 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,0,1,0,0,0|1,0,0]=2 161 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,0,1,0,0,0|1,0,0]=2 162 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,0,1,0,0,0|0,0,0]=1 163 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,0,1,0,0,0|2,0,1]=4 165 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,0,1,0,0,0|1,0,1]=3 166 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,0,1,0,0,0|1,0,1]=3 168 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,0,1,0,0,0|1,0,0]=2 169 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,0,1,0,0,0|1,0,1]=3 170 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,0,1,0,0,0|2,0,0]=3 171 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,0,1,0,0,0|1,0,0]=2 172 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.7 COCCCOC(=O)C CNP0076800.0 [0,0,1,0,0,0|3,0,0]=4 175 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,0,1,0,0,0|3,0,0]=4 176 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,0,1,0,0,0|1,0,0]=2 177 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [0,0,1,0,0,0|3,0,0]=4 178 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,0,1,0,0,0|1,0,0]=2 179 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [0,0,1,0,0,0|1,0,1]=3 180 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,0,1,0,0,0|1,0,2]=4 181 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,0,1,0,0,0|1,0,2]=4 182 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,0,1,0,0,0|1,0,2]=4 183 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,0,1,0,0,0|1,0,2]=4 184 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,0,1,0,0,0|1,0,2]=4 185 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,0,1,0,0,0|1,0,2]=4 186 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,0,1,0,0,0|2,0,1]=4 187 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,0,1,0,0,0|1,0,2]=4 189 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,0,1,0,0,0|0,0,2]=3 190 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,0,1,0,0,0|1,0,1]=3 192 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,0,1,0,0,0|1,0,1]=3 193 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,0,1,0,0,0|0,0,0]=1 194 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,0,1,0,0,0|1,0,0]=2 195 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,0,1,0,0,0|2,0,0]=3 196 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,0,1,0,0,0|1,0,0]=2 197 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,0,1,0,0,0|2,0,1]=4 198 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,0,1,0,0,0|1,0,0]=2 199 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,0,1,0,0,0|1,0,0]=2 200 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,0,1,0,0,0|2,0,0]=3 201 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,0,1,0,0,0|2,0,1]=4 202 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,0,1,0,0,0|2,0,0]=3 203 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,0,1,0,0,0|2,0,0]=3 204 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,0,1,0,0,0|2,0,0]=3 205 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,0,1,0,0,0|3,0,0]=4 206 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,0,1,0,0,0|3,0,0]=4 207 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,0,1,0,0,0|1,0,0]=2 209 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,0,1,0,0,0|2,0,0]=3 210 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,0,1,0,0,0|3,0,0]=4 211 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,0,1,0,0,0|2,0,0]=3 212 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,0,1,0,0,0|2,0,1]=4 213 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,0,1,0,0,0|2,0,1]=4 214 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,0,1,0,0,0|2,0,0]=3 215 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,0,1,0,0,0|2,0,0]=3 216 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,0,1,0,0,0|2,0,0]=3 217 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,0,1,0,0,0|3,0,0]=4 218 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,0,1,0,0,0|3,0,0]=4 219 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,0,1,0,0,0|2,0,1]=4 220 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,0,1,0,0,0|2,0,0]=3 221 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,0,1,0,0,0|2,0,0]=3 222 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,0,1,0,0,0|1,0,2]=4 223 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,0,1,0,0,0|0,0,2]=3 224 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [0,0,1,0,0,0|2,0,1]=4 225 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,0,1,0,0,0|1,0,0]=2 226 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,0,1,0,0,0|2,0,0]=3 227 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,0,0,1,0,0|2,0,1]=4 228 B10R2.62 O=C1CC2C=CC1CC2 CNP0334741.0 [0,0,0,1,0,0|1,0,2]=4 229 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,1,0,0|3,0,0]=4 230 B10R2.351 CC(=C1C2C1CCC2)C CNP0609783.0 [0,0,0,1,0,0|2,0,1]=4 231 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 CNP0380045.1 [0,0,0,1,0,0|1,0,0]=2 232 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 CNP0380045.2 [0,0,0,1,0,0|1,0,0]=2 233 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,0,0,0,1,0|2,0,1]=4 234 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,0,0,0,1,0|2,0,0]=3 235 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,0,0,0,1,0|3,0,0]=4 236 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,0,0,0,1,0|2,0,1]=4 237 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,0,0,0,1,0|1,0,1]=3 238 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,0,0,0,1,0|2,0,0]=3 239 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,0,0,0,1,0|2,0,0]=3 240 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,0,0,0,1,0|1,0,1]=3 241 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,0,0,0,1,0|1,0,2]=4 242 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,0,0,0,1,0|1,0,2]=4 243 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,0,0,0,1,0|0,0,0]=1 244 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,0,0,0,1,0|1,0,0]=2 245 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,0,0,0,1,0|2,0,0]=3 246 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,0,0,0,1,0|2,0,0]=3 247 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,0,0,0,1,0|0,0,2]=3 248 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,0,0,0,1,0|1,0,1]=3 249 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,0,0,0,1,0|1,0,0]=2 250 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,0,0,0,1,0|1,0,0]=2 251 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,0,0,0,1,0|2,0,0]=3 252 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,0,0,0,1,0|2,0,0]=3 253 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,0,0,0,1,0|1,0,0]=2 254 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,0,0,0,1,0|1,0,0]=2 255 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,0,0,0,1,0|1,0,0]=2 256 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,0,0,0,1,0|2,0,0]=3 258 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,0,0,0,1,0|2,0,1]=4 259 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,0,0,0,1,0|1,2,0]=4 260 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,0,0,0,0,1|1,0,0]=2 263 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,0,0,0,0,1|2,0,1]=4 264 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,0,0,0,0,1|2,0,1]=4 265 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,0,0,0,0,1|2,0,1]=4 266 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,0,0,0,0,1|2,0,1]=4 267 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,0,0,0,0,1|2,0,0]=3 268 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,0,0,0,0,1|2,0,0]=3 269 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,0,0,0,0,1|0,0,0]=1 270 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,0,0,0,0,1|0,0,0]=1 273 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,0,0,0,0,1|0,0,0]=1 274 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,0,0,0,0,1|0,0,0]=1 275 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,1,0,0,0|1,0,0]=3 276 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,1,0,0,0|2,0,0]=4 277 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,1,0,0,0|1,0,1]=4 278 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,1,0,0,0|0,0,2]=4 279 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,1,0,0,0|0,0,2]=4 280 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,1,0,0,0|0,0,2]=4 281 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,1,0,0,0|1,0,1]=4 282 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,1,0,0,0|0,0,0]=2 283 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,1,0,0,0|1,0,1]=4 284 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,1,0,0,0|1,0,1]=4 285 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,1,0,0,0|0,0,1]=3 286 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,1,0,0,0|2,0,0]=4 289 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,1,0,0,0|1,0,1]=4 290 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,1,0,0,0|1,0,1]=4 291 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,1,0,0,0|2,0,0]=4 293 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,1,0,0,0|1,0,1]=4 294 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,1,0,0,0|1,0,1]=4 295 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,1,0,0,0|1,0,0]=3 297 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,1,0,0,0|0,0,2]=4 298 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,1,0,0,0|0,0,2]=4 299 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,1,0,0,0|0,0,2]=4 300 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,1,0,0,0|0,0,2]=4 301 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,1,0,0,0|1,0,0]=3 302 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,1,0,0,0|1,0,0]=3 303 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,1,0,0,0|0,0,0]=2 304 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,1,0,0,0|0,1,0]=3 305 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,1,0,0,0|0,0,0]=2 306 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,1,0,0,0|2,0,0]=4 309 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,1,0,0,0|1,0,0]=3 311 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,1,0,0,0|1,0,1]=4 314 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,1,0,0,0|2,0,0]=4 315 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,1,0,0,0|1,0,0]=3 316 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,1,0,0,0|1,0,0]=3 318 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,1,0,0,0|0,0,2]=4 321 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,0,1,0,0,0|1,0,0]=3 322 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,0,1,0,0,0|2,0,0]=4 324 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,0,1,0,0,0|0,0,1]=3 325 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,0,1,0,0,0|0,0,0]=2 327 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,1,0,0,0|1,0,1]=4 328 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,0,1,0,0,0|0,0,1]=3 330 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,0,1,0,0,0|1,0,0]=3 331 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [1,0,1,0,0,0|2,0,0]=4 332 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,1,0,0,0|0,0,2]=4 333 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,1,0,0,0|0,0,2]=4 334 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,1,0,0,0|0,0,2]=4 335 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,1,0,0,0|1,0,1]=4 336 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [1,0,1,0,0,0|1,0,0]=3 337 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [1,0,1,0,0,0|1,0,0]=3 338 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [1,0,1,0,0,0|1,0,0]=3 339 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,1,0,0,0|0,0,0]=2 340 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [1,0,1,0,0,0|1,0,0]=3 341 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [1,0,1,0,0,0|2,0,0]=4 342 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [1,0,1,0,0,0|1,0,0]=3 343 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [1,0,1,0,0,0|1,0,0]=3 344 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,1,0,0,0|0,0,0]=2 345 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [1,0,1,0,0,0|2,0,0]=4 346 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [1,0,1,0,0,0|1,0,0]=3 347 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [1,0,1,0,0,0|1,0,0]=3 348 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,1,0,0,0|2,0,0]=4 349 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [1,0,1,0,0,0|2,0,0]=4 350 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [1,0,1,0,0,0|2,0,0]=4 351 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [1,0,1,0,0,0|2,0,0]=4 352 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [1,0,1,0,0,0|2,0,0]=4 353 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [1,0,1,0,0,0|1,0,0]=3 354 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [1,0,1,0,0,0|1,0,0]=3 355 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [1,0,1,0,0,0|2,0,0]=4 356 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [1,0,1,0,0,0|2,0,0]=4 357 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [1,0,1,0,0,0|2,0,0]=4 358 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [1,0,1,0,0,0|2,0,0]=4 359 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [1,0,1,0,0,0|2,0,0]=4 360 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [1,0,1,0,0,0|2,0,0]=4 361 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [1,0,1,0,0,0|2,0,0]=4 362 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [1,0,1,0,0,0|2,0,0]=4 363 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [1,0,1,0,0,0|2,0,0]=4 364 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,0,1,0,0,0|1,0,1]=4 365 B7R0.15 CCC(CC)C(=O)C CNP0229208.0 [1,0,1,0,0,0|1,0,0]=3 366 B7R0.15 CCC(CC)C(=O)Cl CNP0201828.0 [1,0,1,0,0,0|1,0,0]=3 367 B7R0.15 CCC(CC)C(=O)N CNP0189423.0 [1,0,1,0,0,0|1,0,0]=3 368 B7R0.15 CCC(CC)C(=O)O CNP0174903.0 [1,0,1,0,0,0|0,0,0]=2 369 B7R0.15 CCC(CO)C(=O)O CNP0245703.0 [1,0,1,0,0,0|1,0,0]=3 370 B7R0.15 CC[C@@H](NC)C(=O)O CNP0244843.1 [1,0,1,0,0,0|1,0,0]=3 371 B7R0.15 CN[C@@H](CN)C(=O)O CNP0572374.2 [1,0,1,0,0,0|2,0,0]=4 372 B7R0.15 CN[C@@H](CO)C(=O)O CNP0106958.1 [1,0,1,0,0,0|2,0,0]=4 373 B7R0.15 CN[C@H](CN)C(=O)O CNP0572374.1 [1,0,1,0,0,0|2,0,0]=4 374 B7R0.15 CN[C@H](CO)C(=O)O CNP0106958.2 [1,0,1,0,0,0|2,0,0]=4 375 B7R0.15 NC[C@@H](CO)C(=O)O CNP0523802.1 [1,0,1,0,0,0|2,0,0]=4 376 B7R0.15 O=C(O)C(CI)CI CNP0474243.0 [1,0,1,0,0,0|2,0,0]=4 377 B7R0.15 O=C(O)C(CS)CS CNP0329155.0 [1,0,1,0,0,0|2,0,0]=4 378 B7R1.3 BrC1CCCCC1 CNP0085881.0 [2,0,0,0,0,0|1,0,0]=3 379 B7R1.3 C=C1CCCCC1 CNP0312009.0 [2,0,0,0,0,0|0,0,1]=3 380 B7R1.3 CC1CCCCC1 CNP0191222.0 [2,0,0,0,0,0|0,0,1]=3 381 B7R1.3 CC1CCCCO1 CNP0292894.0 [2,0,0,0,0,0|1,0,1]=4 382 B7R1.3 CC1CCNCC1 CNP0080033.0 [2,0,0,0,0,0|1,0,1]=4 383 B7R1.3 CN1CCCCC1 CNP0325316.0 [2,0,0,0,0,0|1,0,1]=4 384 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [2,0,0,0,0,0|1,0,1]=4 385 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [2,0,0,0,0,0|1,0,1]=4 386 B7R1.3 NC1CCCCC1 CNP0149842.0 [2,0,0,0,0,0|1,0,0]=3 387 B7R1.3 O=C1CCCCC1 CNP0271526.0 [2,0,0,0,0,0|0,0,1]=3 388 B7R1.3 O=C1CCCCN1 CNP0142808.0 [2,0,0,0,0,0|1,0,1]=4 389 B7R1.3 O=C1CCCCO1 CNP0237404.0 [2,0,0,0,0,0|1,0,1]=4 390 B7R1.3 O=C1CCNCC1 CNP0212699.0 [2,0,0,0,0,0|1,0,1]=4 391 B7R1.3 OC1=CCCCC1 CNP0083987.0 [2,0,0,0,0,0|0,0,2]=4 392 B7R1.3 OC1=NCCCC1 CNP0547052.0 [2,0,0,0,0,0|1,0,1]=4 393 B7R1.3 OC1CC=CCC1 CNP0198711.0 [2,0,0,0,0,0|0,0,2]=4 394 B7R1.3 OC1CCCCC1 CNP0213861.0 [2,0,0,0,0,0|0,0,0]=2 395 B7R1.3 OC1COCOC1 CNP0567932.0 [2,0,0,0,0,0|2,0,0]=4 396 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [2,0,0,0,0,0|0,0,2]=4 397 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [2,0,0,0,0,0|0,0,2]=4 398 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,1,1,0,0,0|0,0,0]=2 399 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,1,0,0,0|1,0,1]=4 400 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,1,1,0,0,0|2,0,0]=4 401 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,1,0,0,0|1,0,1]=4 402 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,1,0,0,0|1,0,1]=4 403 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,1,0,0,0|1,0,0]=3 404 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,1,0,0,0|2,0,0]=4 405 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,1,0,0,0|0,0,1]=3 406 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,1,0,0,0|1,0,1]=4 407 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,1,0,0,0|0,0,1]=3 408 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,1,0,0,0|0,0,1]=3 409 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,1,0,0,0|1,0,1]=4 410 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,1,0,0,0|0,0,1]=3 411 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,1,0,0,0|1,0,0]=3 412 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,1,1,0,0,0|1,0,0]=3 413 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,1,1,0,0,0|1,0,0]=3 414 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,1,0,0,0|0,0,0]=2 415 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,1,1,0,0,0|0,0,1]=3 416 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,1,1,0,0,0|0,0,1]=3 417 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,1,1,0,0,0|0,0,1]=3 418 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,1,1,0,0,0|0,0,1]=3 419 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,1,1,0,0,0|0,0,1]=3 420 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,1,1,0,0,0|0,0,1]=3 421 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,1,0,0,0|1,0,1]=4 422 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,1,0,0,0|1,0,1]=4 423 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,1,0,0,0|1,0,0]=3 424 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,1,1,0,0,0|1,0,1]=4 425 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,1,0,0,0|1,0,0]=3 426 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,1,0,0,0|0,0,0]=2 427 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,1,1,0,0,0|1,0,0]=3 428 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,1,0,0,0|0,0,0]=2 429 B9R0.4 CCCCC(=CC(=O)O)Br CNP0238887.0 [0,1,1,0,0,0|0,0,2]=4 430 B9R0.4 CCCCC(=CC(=O)O)C CNP0381508.0 [0,1,1,0,0,0|0,0,2]=4 431 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,1,1,0,0,0|1,0,1]=4 432 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,1,1,0,0,0|0,0,0]=2 433 B9R0.4 CCCC[C@H](C)OC(=O)C CNP0107912.1 [0,1,1,0,0,0|2,0,0]=4 434 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,1,1,0,0,0|0,0,0]=2 435 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,1,1,0,0,0|1,0,1]=4 436 B9R0.4 CSCC[C@H](N)CC(=O)O CNP0241476.1 [0,1,1,0,0,0|1,0,0]=3 437 B9R0.4 NCCC[C@@H](N)CC(=O)N CNP0496401.1 [0,1,1,0,0,0|2,0,0]=4 438 B9R0.4 NCCC[C@@H](N)CC(=O)O CNP0108275.1 [0,1,1,0,0,0|1,0,0]=3 439 B9R0.4 NCCC[C@H](N)CC(=O)O CNP0108275.2 [0,1,1,0,0,0|1,0,0]=3 440 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,1,0,0,0|1,0,0]=3 441 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,1,0,0,0|1,0,1]=4 442 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,1,0,0,0|1,0,1]=4 443 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,1,0,0,0|0,0,2]=4 444 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,1,0,0,0|0,0,2]=4 445 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,1,0,0,0|1,0,1]=4 446 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,1,0,0,0|1,0,0]=3 447 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,1,0,0,0|1,0,0]=3 448 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,1,0,0,0|1,0,0]=3 449 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,1,0,0,0|0,0,0]=2 450 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,1,0,0,0|1,0,1]=4 451 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,1,0,0,0|1,0,1]=4 452 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,1,0,0,0|1,0,1]=4 453 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,1,0,0,0|0,0,2]=4 454 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,1,0,0,0|1,0,1]=4 455 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,1,0,0,0|1,0,1]=4 456 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,1,0,0,0|2,0,0]=4 457 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,1,0,0,0|1,0,1]=4 458 B9R0.47 CC(CSCCN)C(=O)O CNP0002353.0 [0,1,1,0,0,0|2,0,0]=4 459 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,1,0,0,0|1,0,1]=4 460 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,1,1,0,0,0|1,0,1]=4 461 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,1,1,0,0,0|0,0,0]=2 462 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,1,1,0,0,0|0,0,0]=2 463 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,1,0,0,0|1,0,0]=3 464 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,1,1,0,0,0|0,0,0]=2 465 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,1,1,0,0,0|0,0,0]=2 466 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,1,1,0,0,0|0,0,0]=2 467 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,1,1,0,0,0|1,0,1]=4 468 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,1,1,0,0,0|1,0,1]=4 469 B9R0.47 CCCSC[C@H](N)C(=O)O CNP0231801.1 [0,1,1,0,0,0|1,0,0]=3 470 B9R0.47 CCNCC[C@H](N)C(=O)O CNP0373665.1 [0,1,1,0,0,0|1,0,0]=3 471 B9R0.47 CCOCC[C@H](N)C(=O)O CNP0109857.1 [0,1,1,0,0,0|1,0,0]=3 472 B9R0.47 CCSCC[C@@H](N)C(=O)O CNP0415767.2 [0,1,1,0,0,0|1,0,0]=3 473 B9R0.47 CCSCC[C@H](N)C(=O)O CNP0415767.1 [0,1,1,0,0,0|1,0,0]=3 474 B9R0.47 CC[Se]CCC(N)C(=O)O CNP0076033.0 [0,1,1,0,0,0|1,0,0]=3 475 B9R0.47 CNCCC[C@H](N)C(=O)O CNP0022631.1 [0,1,1,0,0,0|1,0,0]=3 476 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,1,0,0,0|1,0,1]=4 477 B9R0.47 CSCCC[C@@H](N)C(=O)O CNP0165905.2 [0,1,1,0,0,0|1,0,0]=3 478 B9R0.47 CSCCC[C@H](N)C(=O)O CNP0165905.1 [0,1,1,0,0,0|1,0,0]=3 479 B9R0.47 CSCSC[C@H](N)C(=O)O CNP0280822.1 [0,1,1,0,0,0|2,0,0]=4 480 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,1,0,0,0|1,0,1]=4 481 B9R0.47 NCCCC[C@@H](N)C(=O)O CNP0204700.3 [0,1,1,0,0,0|1,0,0]=3 482 B9R0.47 NCCCC[C@H](N)C(=O)N CNP0386229.1 [0,1,1,0,0,0|2,0,0]=4 483 B9R0.47 NCCCC[C@H](N)C(=O)O CNP0204700.1 [0,1,1,0,0,0|1,0,0]=3 484 B9R0.47 NCCOC[C@@H](N)C(=O)O CNP0214099.2 [0,1,1,0,0,0|2,0,0]=4 485 B9R0.47 NCCOC[C@H](N)C(=O)O CNP0214099.1 [0,1,1,0,0,0|2,0,0]=4 486 B9R0.47 NCCSC[C@H](N)C(=O)O CNP0297414.1 [0,1,1,0,0,0|2,0,0]=4 487 B9R0.47 NCC[13CH2]C[C@H](N)C(=O)O CNP0204700.2 [0,1,1,0,0,0|1,0,0]=3 488 B9R0.47 N[C@@H](CCCC=O)C(=O)O CNP0258672.1 [0,1,1,0,0,0|1,0,1]=4 489 B9R0.47 N[C@@H](CCCCO)C(=O)O CNP0105740.1 [0,1,1,0,0,0|1,0,0]=3 490 B9R0.47 N[C@@H](CCCNO)C(=O)O CNP0203401.1 [0,1,1,0,0,0|2,0,0]=4 491 B9R0.47 N[C@@H](CCSCO)C(=O)O CNP0246797.1 [0,1,1,0,0,0|2,0,0]=4 492 B9R0.47 N[C@@H](CSCCO)C(=O)O CNP0350927.1 [0,1,1,0,0,0|2,0,0]=4 493 B9R0.47 N[C@H](CCCCO)C(=O)O CNP0105740.2 [0,1,1,0,0,0|1,0,0]=3 494 B9R0.47 N[C@H](CCCNO)C(=O)O CNP0203401.2 [0,1,1,0,0,0|2,0,0]=4 495 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,1,1,0,0,0|1,0,1]=4 496 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,1,1,0,0,0|1,0,1]=4 497 B9R0.48 CCCC(C)CCC(=O)C CNP0484866.0 [0,1,1,0,0,0|1,0,0]=3 498 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,1,1,0,0,0|0,0,0]=2 499 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,1,1,0,0,0|0,0,0]=2 500 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,1,1,0,0,0|0,0,0]=2 501 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,1,1,0,0,0|0,0,0]=2 502 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,1,1,0,0,0|1,0,1]=4 503 B9R0.55 CC(=O)CCCCC(=O)O CNP0590711.0 [0,1,1,0,0,0|0,0,1]=3 504 B9R0.55 CC(=O)CCCCC(C)C CNP0596169.0 [0,1,1,0,0,0|1,0,0]=3 505 B9R0.55 CC(=O)NCCCC(=O)O CNP0201600.0 [0,1,1,0,0,0|1,0,1]=4 506 B9R0.55 CC(C)CCCCC(=O)N CNP0291155.0 [0,1,1,0,0,0|1,0,0]=3 507 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,1,1,0,0,0|0,0,0]=2 508 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,1,1,0,0,0|1,0,1]=4 509 B9R0.55 CC(O)C=CCCC(=O)O CNP0612153.0 [0,1,1,0,0,0|0,0,2]=4 510 B9R0.55 C[S+](C)CCCCC(=O)O CNP0043116.0 [0,1,1,0,0,0|1,0,0]=3 511 B9R0.55 C[S](C)CCCCC(=O)O CNP0533226.0 [0,1,1,0,0,0|1,0,0]=3 512 B9R0.55 O=C(O)CCCCC(=O)O CNP0296801.0 [0,1,1,0,0,0|1,0,1]=4 513 B9R0.3 CCCC[C@H](N)P(=O)(O)O CNP0507860.1 [0,1,1,0,0,0|2,0,0]=4 514 B9R0.6 C=C(CCC)[C@H](N)C(=O)O CNP0264403.1 [0,1,1,0,0,0|1,0,1]=4 515 B9R0.6 CCC[C@@H](C)[C@H](N)C(=O)O CNP0381888.1 [0,1,1,0,0,0|1,0,0]=3 516 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [0,1,1,0,0,0|1,0,1]=4 517 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [0,1,1,0,0,0|1,0,1]=4 518 B9R0.6 CCC[C@H](C)[C@H](N)C(=O)O CNP0381888.2 [0,1,1,0,0,0|1,0,0]=3 519 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [0,1,1,0,0,0|1,0,1]=4 520 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [0,1,1,0,0,0|1,0,1]=4 521 B9R0.6 NCC[C@@H](O)[C@@H](N)C(=O)O CNP0172709.2 [0,1,1,0,0,0|2,0,0]=4 522 B9R0.6 NCC[C@H](O)[C@@H](N)C(=O)O CNP0172709.1 [0,1,1,0,0,0|2,0,0]=4 523 B9R0.7 C=C(C)CC[C@H](N)C(=O)O CNP0300764.1 [0,1,1,0,0,0|1,0,1]=4 524 B9R0.7 CC(=O)CCC(C)C(=O)O CNP0035936.0 [0,1,1,0,0,0|0,0,1]=3 525 B9R0.7 CC(=O)CC[C@H](N)C(=O)O CNP0029013.1 [0,1,1,0,0,0|1,0,1]=4 526 B9R0.7 CC(=O)OCC(C)C(=O)O CNP0355270.0 [0,1,1,0,0,0|1,0,1]=4 527 B9R0.7 CC(C)CC[C@H](N)C(=O)O CNP0116555.1 [0,1,1,0,0,0|1,0,0]=3 528 B9R0.7 CC(C)OCC(N)C(=O)O CNP0593258.0 [0,1,1,0,0,0|2,0,0]=4 529 B9R0.7 CC(CCC(=O)O)C(=O)O CNP0184293.0 [0,1,1,0,0,0|1,0,1]=4 530 B9R0.7 CC(N)CCC(N)C(=O)O CNP0515846.0 [0,1,1,0,0,0|1,0,0]=3 531 B9R0.7 CC(O)CC[C@H](N)C(=O)O CNP0295098.1 [0,1,1,0,0,0|1,0,0]=3 532 B9R0.7 CS(C)CC[C@@H](N)C(=O)O CNP0216869.1 [0,1,1,0,0,0|2,0,0]=4 533 B9R0.7 C[C@H](O)CC[C@H](N)C(=O)O CNP0295098.2 [0,1,1,0,0,0|1,0,0]=3 534 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.1 [0,1,1,0,0,0|2,0,0]=4 535 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O CNP0085930.2 [0,1,1,0,0,0|2,0,0]=4 536 B9R0.7 C[S+]([O-])CC[C@H](N)C(=O)O CNP0526656.2 [0,1,1,0,0,0|2,0,0]=4 537 B9R0.7 C[S@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.5 [0,1,1,0,0,0|2,0,0]=4 538 B9R0.7 C[S@+]([O-])CC[C@H](N)C(=O)O CNP0526656.3 [0,1,1,0,0,0|2,0,0]=4 539 B9R0.7 C[S@@+]([O-])CC[C@@H](N)C(=O)O CNP0526656.4 [0,1,1,0,0,0|2,0,0]=4 540 B9R0.7 C[S@@+]([O-])CC[C@H](N)C(=O)O CNP0526656.1 [0,1,1,0,0,0|2,0,0]=4 541 B9R0.7 C[S@H+]([O-])CC[C@@H](N)C(=O)O CNP0521175.2 [0,1,1,0,0,0|2,0,0]=4 542 B9R0.7 C[S@H+]([O-])CC[C@H](N)C(=O)O CNP0521175.1 [0,1,1,0,0,0|2,0,0]=4 543 B9R0.7 C[S](C)CC[C@@H](N)C(=O)O CNP0605465.2 [0,1,1,0,0,0|2,0,0]=4 544 B9R0.7 C[S](C)CC[C@H](N)C(=O)O CNP0605465.1 [0,1,1,0,0,0|2,0,0]=4 545 B9R0.7 C[Se+](C)CC[C@@H](N)C(=O)O CNP0360098.1 [0,1,1,0,0,0|2,0,0]=4 546 B9R0.7 C[Se+](C)CC[C@H](N)C(=O)O CNP0360098.2 [0,1,1,0,0,0|2,0,0]=4 547 B9R0.7 C[Se](=O)CC[C@H](N)C(=O)O CNP0028926.1 [0,1,1,0,0,0|2,0,0]=4 548 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,1,0,0,0|1,0,1]=4 549 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,1,0,0,0|2,0,0]=4 550 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,1,0,0,0|1,0,0]=3 551 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,1,0,0,0|2,0,0]=4 552 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,1,0,0,0|1,0,0]=3 553 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,1,0,0,0|2,0,0]=4 554 B9R0.13 C=C(C)C(CC)CCCC CNP0505996.0 [0,1,1,0,0,0|2,0,0]=4 555 B9R0.13 CCCCC(=NO)C(=O)O CNP0294790.0 [0,1,1,0,0,0|1,0,1]=4 556 B9R0.13 CCCCC(CO)C(=O)C CNP0071990.0 [0,1,1,0,0,0|1,0,0]=3 557 B9R0.13 CCCC[C@@H](CC)C(=O)N CNP0493551.1 [0,1,1,0,0,0|1,0,0]=3 558 B9R0.13 CCCC[C@@H](CC)C(=O)O CNP0333356.2 [0,1,1,0,0,0|0,0,0]=2 559 B9R0.13 CCCC[C@@H](NC)C(=O)O CNP0058018.2 [0,1,1,0,0,0|0,0,0]=2 560 B9R0.13 CCCC[C@H](CC)C(=O)O CNP0333356.1 [0,1,1,0,0,0|0,0,0]=2 561 B9R0.13 CCCC[C@H](NC)C(=O)O CNP0058018.1 [0,1,1,0,0,0|0,0,0]=2 562 B9R0.13 CN[C@@H](CCCN)C(=O)O CNP0395461.1 [0,1,1,0,0,0|1,0,0]=3 563 B9R0.42 C=C(CC)C[C@H](N)C(=O)O CNP0154290.1 [0,1,1,0,0,0|1,0,1]=4 564 B9R0.42 CC(CC(=O)CCl)C(=O)O CNP0506666.0 [0,1,1,0,0,0|1,0,1]=4 565 B9R0.42 CCC(=O)C[C@H](N)C(=O)O CNP0276322.1 [0,1,1,0,0,0|1,0,1]=4 566 B9R0.42 CCC(C)C[C@H](N)C(=O)O CNP0257538.2 [0,1,1,0,0,0|1,0,0]=3 567 B9R0.42 CCC(O)C[C@H](N)C(=O)O CNP0517544.1 [0,1,1,0,0,0|1,0,0]=3 568 B9R0.42 CC[C@H](C)C[C@H](N)C(=O)O CNP0257538.1 [0,1,1,0,0,0|1,0,0]=3 569 B9R0.42 CC[S+]([O-])C[C@H](N)C(=O)O CNP0557818.1 [0,1,1,0,0,0|2,0,0]=4 570 B9R0.42 CC[S@+]([O-])C[C@H](N)C(=O)O CNP0557818.2 [0,1,1,0,0,0|2,0,0]=4 571 B9R0.42 CC[S@H+]([O-])C[C@H](N)C(=O)O CNP0529889.1 [0,1,1,0,0,0|2,0,0]=4 572 B9R0.42 C[C@H](CCl)C[C@H](N)C(=O)O CNP0213488.1 [0,1,1,0,0,0|2,0,0]=4 573 B9R0.42 NC[C@@H](O)C[C@H](N)C(=O)O CNP0310937.1 [0,1,1,0,0,0|2,0,0]=4 574 B9R0.42 NC[C@H](O)C[C@H](N)C(=O)O CNP0310937.2 [0,1,1,0,0,0|2,0,0]=4 575 B9R0.42 N[C@@H](C[C@H](O)CO)C(=O)O CNP0364941.1 [0,1,1,0,0,0|2,0,0]=4 576 B9R0.42 O=C(O)C(O)CC(O)CO CNP0583941.0 [0,1,1,0,0,0|2,0,0]=4 577 B9R0.51 CCCCC(Br)(Br)C(=O)C CNP0017708.0 [0,1,1,0,0,0|2,0,0]=4 578 B9R0.12 CN[C@@H](COC)C(=O)OC CNP0562303.1 [0,1,1,0,0,0|2,0,0]=4 579 B9R0.12 CN[C@H](COC)C(=O)OC CNP0562303.2 [0,1,1,0,0,0|2,0,0]=4 580 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [0,1,1,0,0,0|1,0,0]=3 581 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,1,1,0,0,0|0,0,0]=2 582 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [0,1,1,0,0,0|0,0,1]=3 583 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [0,1,1,0,0,0|0,0,1]=3 584 B9R0.15 CCOC(OCC)C(=O)O CNP0318292.0 [0,1,1,0,0,0|1,0,0]=3 585 B9R0.29 CCC(=O)C(CC)C(=O)O CNP0333433.0 [0,1,1,0,0,0|0,0,1]=3 586 B9R0.29 CCC(C)C(CC)C(=O)N CNP0490151.0 [0,1,1,0,0,0|1,0,0]=3 587 B9R0.29 CC[C@@H](C)[C@@H](NC)C(=O)O CNP0218334.2 [0,1,1,0,0,0|1,0,0]=3 588 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O CNP0218334.4 [0,1,1,0,0,0|1,0,0]=3 589 B9R0.29 CC[C@@H](O)[C@H](NC)C(=O)O CNP0169081.1 [0,1,1,0,0,0|1,0,0]=3 590 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O CNP0218334.1 [0,1,1,0,0,0|1,0,0]=3 591 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O CNP0218334.3 [0,1,1,0,0,0|1,0,0]=3 592 B9R0.33 CCCC(C(=O)O)C(C)C CNP0499654.0 [0,1,1,0,0,0|0,0,0]=2 593 B9R0.39 CC(C)C[C@H](CS)C(=O)O CNP0552344.1 [0,1,1,0,0,0|1,0,0]=3 594 B9R0.39 CC(C)C[C@H](NO)C(=O)O CNP0205469.1 [0,1,1,0,0,0|2,0,0]=4 595 B9R0.39 CC(C)N[C@@H](CS)C(=O)O CNP0565141.1 [0,1,1,0,0,0|2,0,0]=4 596 B9R0.39 CN[C@@H](CC(C)C)C(=O)O CNP0299896.1 [0,1,1,0,0,0|1,0,0]=3 597 B9R0.39 CN[C@H](CC(C)C)C(=O)O CNP0299896.2 [0,1,1,0,0,0|1,0,0]=3 598 B9R0.39 CO[C@@H](C[S+](C)C)C(=O)O CNP0328625.1 [0,1,1,0,0,0|2,0,0]=4 599 B9R1.1 CC1=CC[C@@H](CC1)C=O CNP0198350.1 [1,1,0,0,0,0|0,0,2]=4 600 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [1,1,0,0,0,0|1,0,1]=4 601 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [1,1,0,0,0,0|1,0,1]=4 602 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [1,1,0,0,0,0|1,0,0]=3 606 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [1,1,0,0,0,0|2,0,0]=4 607 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [1,1,0,0,0,0|0,0,0]=2 610 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [1,1,0,0,0,0|0,0,0]=2 611 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [1,1,0,0,0,0|0,1,1]=4 615 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,0,1,0|1,0,1]=4 618 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,1,0,0,1,0|0,0,2]=4 619 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,1,0,0,1,0|1,0,0]=3 620 B9R1.35 C=C1CN[C@@H](C1)C(=O)O CNP0129075.1 [0,1,0,0,1,0|1,0,1]=4 621 B9R1.35 CN1CCC(C1)C(=O)O CNP0077151.0 [0,1,0,0,1,0|1,0,0]=3 622 B9R1.35 C[C@@H]1CC[C@@H](C1)C(=O)O CNP0315118.1 [0,1,0,0,1,0|0,0,0]=2 623 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O CNP0293874.4 [0,1,0,0,1,0|1,0,0]=3 624 B9R1.35 C[C@@H]1CN[C@H](C1)C(=O)O CNP0293874.2 [0,1,0,0,1,0|1,0,0]=3 625 B9R1.35 C[C@H]1CC[C@H](N1)C(=O)O CNP0140199.1 [0,1,0,0,1,0|1,0,0]=3 626 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O CNP0293874.3 [0,1,0,0,1,0|1,0,0]=3 627 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O CNP0293874.1 [0,1,0,0,1,0|1,0,0]=3 628 B9R1.35 NC1CCC(C1)C(=O)O CNP0035427.0 [0,1,0,0,1,0|0,0,0]=2 629 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O CNP0274679.1 [0,1,0,0,1,0|1,0,0]=3 630 B9R1.35 O=C(O)C1=NCC(C1)O CNP0083616.0 [0,1,0,0,1,0|1,0,1]=4 631 B9R1.35 O=C(O)[C@@H]1CC(CN1)O CNP0368925.2 [0,1,0,0,1,0|1,0,0]=3 632 B9R1.35 O=C(O)[C@@H]1CCC(=N1)O CNP0546413.2 [0,1,0,0,1,0|1,0,1]=4 633 B9R1.35 O=C(O)[C@@H]1CS[S+](C1)[O-] CNP0513817.2 [0,1,0,0,1,0|2,0,0]=4 634 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O CNP0368925.3 [0,1,0,0,1,0|1,0,0]=3 635 B9R1.35 O=C(O)[C@@H]1C[C@H](C=N1)O CNP0313115.1 [0,1,0,0,1,0|1,0,1]=4 636 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O CNP0368925.1 [0,1,0,0,1,0|1,0,0]=3 637 B9R1.35 O=C(O)[C@H]1CCC(=N1)O CNP0546413.1 [0,1,0,0,1,0|1,0,1]=4 638 B9R1.35 O=C(O)[C@H]1CSC(=S)C1 CNP0359055.1 [0,1,0,0,1,0|1,0,1]=4 639 B9R1.35 O=C(O)[C@H]1CS[S+](C1)[O-] CNP0513817.3 [0,1,0,0,1,0|2,0,0]=4 640 B9R1.35 O=C(O)[C@H]1CS[S@+](C1)[O-] CNP0513817.1 [0,1,0,0,1,0|2,0,0]=4 641 B9R1.35 O=C(O)[C@H]1CS[S@@+](C1)[O-] CNP0513817.4 [0,1,0,0,1,0|2,0,0]=4 642 B9R1.35 O=C(O)[C@H]1C[C@@H](C=N1)O CNP0313115.2 [0,1,0,0,1,0|1,0,1]=4 643 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O CNP0368925.5 [0,1,0,0,1,0|1,0,0]=3 644 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O CNP0368925.4 [0,1,0,0,1,0|1,0,0]=3 645 B9R1.35 O=C1CC[C@@H](N1)C(=O)O CNP0206174.1 [0,1,0,0,1,0|1,0,1]=4 646 B9R1.35 O=C1CC[C@@H](O1)C(=O)O CNP0464408.1 [0,1,0,0,1,0|1,0,1]=4 647 B9R1.35 O=C1CC[C@H](N1)C(=O)O CNP0206174.2 [0,1,0,0,1,0|1,0,1]=4 648 B9R1.35 O=C1CNC(C1)C(=O)O CNP0124683.0 [0,1,0,0,1,0|1,0,1]=4 649 B9R1.41 CN1CCC[C@@H]1C(=O)O CNP0209638.1 [0,1,0,0,1,0|1,0,0]=3 650 B9R1.41 CN1CCC[C@H]1C(=O)O CNP0209638.2 [0,1,0,0,1,0|1,0,0]=3 651 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,0,1,0|0,0,0]=2 652 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,0,1,0|0,0,0]=2 653 B9R1.41 NN1CCC[C@H]1C(=O)O CNP0198646.1 [0,1,0,0,1,0|1,0,0]=3 654 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O CNP0179700.2 [0,1,0,0,1,0|0,0,0]=2 655 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O CNP0238258.3 [0,1,0,0,1,0|1,0,0]=3 656 B9R1.41 N[C@@H]1CCN[C@H]1C(=O)O CNP0238258.2 [0,1,0,0,1,0|1,0,0]=3 657 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O CNP0179700.1 [0,1,0,0,1,0|0,0,0]=2 658 B9R1.41 N[C@H]1CCN[C@H]1C(=O)O CNP0238258.1 [0,1,0,0,1,0|1,0,0]=3 659 B9R1.41 O=C(O)N1CCCC1=O CNP0088387.0 [0,1,0,0,1,0|1,0,1]=4 660 B9R1.41 O=C(O)[C@@H]1CCCN1O CNP0236003.2 [0,1,0,0,1,0|1,0,0]=3 661 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CNP0193079.1 [0,1,0,0,1,0|1,0,0]=3 662 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O CNP0193079.3 [0,1,0,0,1,0|1,0,0]=3 663 B9R1.41 O=C(O)[C@H]1CCCN1O CNP0236003.1 [0,1,0,0,1,0|1,0,0]=3 664 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O CNP0193079.2 [0,1,0,0,1,0|1,0,0]=3 665 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CNP0193079.4 [0,1,0,0,1,0|1,0,0]=3 666 B9R1.163 C[C@]1(CCCN1)C(=O)O CNP0044930.1 [0,1,0,0,1,0|1,0,0]=3 667 B9R1.163 NC1(CCCC1)C(=O)O CNP0401519.0 [0,1,0,0,1,0|0,0,0]=2 668 B9R1.163 N[C@@]1(CCNC1)C(=O)O CNP0418958.2 [0,1,0,0,1,0|1,0,0]=3 669 B9R1.163 N[C@@]1(CCSC1)C(=O)O CNP0601612.1 [0,1,0,0,1,0|1,0,0]=3 670 B9R1.163 N[C@]1(CCNC1)C(=O)O CNP0418958.1 [0,1,0,0,1,0|1,0,0]=3 671 B9R1.163 N[C@]1(CCSC1)C(=O)O CNP0601612.2 [0,1,0,0,1,0|1,0,0]=3 672 B11R1.20 CC(=O)NC1CCC(=O)CC1 CNP0508651.0 [0,1,0,0,0,1|1,0,1]=4 673 B11R1.20 CC(=O)OC1CCC(CC1)O CNP0585597.0 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.20 CC1CCC(CC1)CC(=O)O CNP0347676.0 [0,1,0,0,0,1|0,0,0]=2 675 B11R1.20 O=C(O)C[C@H]1CC[C@@H](CC1)O CNP0084903.1 [0,1,0,0,0,1|0,0,0]=2 676 B11R1.36 C[C@@H](C(=O)O)C1=CCCCC1 CNP0363942.1 [0,1,0,0,0,1|0,0,2]=4 677 B11R1.36 N[C@@H](C(=O)O)C1CCCCC1 CNP0535459.2 [0,1,0,0,0,1|0,0,0]=2 678 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 CNP0535459.1 [0,1,0,0,0,1|0,0,0]=2 679 B11R1.36 N[C@H](C(=O)O)[C@@H]1CC=CCC1 CNP0213115.1 [0,1,0,0,0,1|0,0,2]=4 680 B11R1.36 O=C(O)C(=O)[C@H]1CC=CCC1 CNP0297531.1 [0,1,0,0,0,1|0,0,2]=4 681 B11R1.36 O=C(O)C(O)[C@H]1CC=CCC1 CNP0339850.1 [0,1,0,0,0,1|0,0,2]=4 682 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [0,1,0,0,0,1|2,0,0]=4 683 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [0,1,0,0,0,1|1,0,0]=3 684 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [0,1,0,0,0,1|0,0,2]=4 685 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [0,1,0,0,0,1|2,0,0]=4 686 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,1,0,0,0,1|1,0,1]=4 687 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [0,1,0,0,0,1|2,0,0]=4 688 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [0,1,0,0,0,1|2,0,0]=4 689 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [0,1,0,0,0,1|1,0,0]=3 690 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [0,1,0,0,0,1|0,0,2]=4 691 B11R1.86 N[C@@H]1CCCC=C1CC(=O)O CNP0250203.1 [0,1,0,0,0,1|0,0,2]=4 692 B11R1.157 CC(=O)C[C@@H]1CCC[C@@H](N1)C CNP0270441.4 [0,1,0,0,0,1|2,0,0]=4 693 B11R1.157 CC(=O)C[C@@H]1CCC[C@H](N1)C CNP0270441.3 [0,1,0,0,0,1|2,0,0]=4 694 B11R1.157 CC(=O)C[C@H]1CCC[C@@H](N1)C CNP0270441.2 [0,1,0,0,0,1|2,0,0]=4 695 B11R1.157 CC(=O)C[C@H]1CCC[C@H](N1)C CNP0270441.1 [0,1,0,0,0,1|2,0,0]=4 696 B11R1.157 CC(=O)C[C@H]1C[C@@H](CCO1)C CNP0268393.2 [0,1,0,0,0,1|2,0,0]=4 697 B11R1.157 CC(=O)C[C@H]1C[C@H](CCO1)C CNP0268393.1 [0,1,0,0,0,1|2,0,0]=4 698 B11R1.157 CC(=O)O[C@@H]1CCC[C@@H](C1)C CNP0286478.1 [0,1,0,0,0,1|1,0,0]=3 699 B11R1.157 CC(=O)O[C@@H]1CCC[C@H](C1)C CNP0286478.3 [0,1,0,0,0,1|1,0,0]=3 700 B11R1.157 CC(=O)O[C@H]1CCC[C@H](C1)C CNP0286478.2 [0,1,0,0,0,1|1,0,0]=3 701 B11R1.157 C[C@@H]1C=C(CCC1)CC(=O)O CNP0142469.1 [0,1,0,0,0,1|0,0,2]=4 702 B11R1.157 C[C@H]1CCC[C@H](O1)CC(=O)O CNP0118162.1 [0,1,0,0,0,1|1,0,0]=3 703 B11R1.157 O=C(O)C[C@H]1CCCC(=O)C1 CNP0341504.1 [0,1,0,0,0,1|0,0,1]=3 704 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0261639.0 [0,1,0,0,0,1|1,0,0]=3 705 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0526158.0 [0,1,0,0,0,1|1,0,0]=3 706 B11R1.509 O=S(=O)(O)NC1CCCCC1 CNP0606141.0 [0,1,0,0,0,1|1,0,0]=3 707 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0482506.0 [0,1,0,0,0,1|1,0,1]=4 708 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0486912.0 [0,1,0,0,0,1|1,0,1]=4 709 B11R1.509 O=S(=O)([O-])NC1CCCCC1 CNP0579695.0 [0,1,0,0,0,1|1,0,1]=4 710 B11R1.928 CC(=O)OC1(CCCCC1)C CNP0549366.0 [0,1,0,0,0,1|1,0,0]=3 711 B11R1.928 C[N+]1(CCCCC1)CC(=O)[O-] CNP0083853.0 [0,1,0,0,0,1|1,0,1]=4 712 B11R1.928 NC1(CCOCC1)CC(=O)O CNP0399325.0 [0,1,0,0,0,1|1,0,0]=3 713 B11R1.928 NC1(CCSCC1)CC(=O)O CNP0257879.0 [0,1,0,0,0,1|1,0,0]=3 714 B11R1.737 NC1(CCCCCC1)C(=O)O CNP0306705.0 [0,1,0,0,0,1|0,0,0]=2 715 B11R1.3 C=C(C)[C@H]1CC[C@@H](CC1)C=O CNP0280853.2 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.3 C=C(C)[C@H]1CC[C@@H](CC1)CO CNP0402738.1 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.3 C=C(C)[C@H]1CC[C@H](CC1)C=O CNP0280853.1 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.3 C=C(C)[C@H]1CC[C@H](CC1)CO CNP0402738.2 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O CNP0204071.1 [0,2,0,0,0,0|0,0,0]=2 720 B11R1.19 CC(C)(O)[C@H]1CC[C@@H](CC1)C CNP0330044.1 [0,2,0,0,0,0|1,0,1]=4 721 B11R1.21 C=C(C)C1CC[C@H]([C@@H](C1)O)C CNP0390712.2 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.21 C=C(C)[C@@H]1CC[C@@H]([C@@H](C1)O)C CNP0390712.4 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.21 C=C(C)[C@@H]1CC[C@@H]([C@H](C1)O)C CNP0390712.1 [0,2,0,0,0,0|2,0,0]=4 724 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(C1)O)C CNP0390712.8 [0,2,0,0,0,0|2,0,0]=4 725 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)O)C CNP0390712.5 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@H](C1)O)C CNP0390712.6 [0,2,0,0,0,0|2,0,0]=4 727 B11R1.21 C=C(C)[C@H]1CC[C@@H]([C@@H](C1)O)C CNP0390712.3 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.21 C=C(C)[C@H]1CC[C@@H]([C@H](C1)O)C CNP0390712.7 [0,2,0,0,0,0|2,0,0]=4 729 B11R1.21 C=C(C)[C@H]1CC[C@H]([C@@H](C1)O)C CNP0390712.10 [0,2,0,0,0,0|2,0,0]=4 730 B11R1.21 C=C(C)[C@H]1CC[C@H]([C@H](C1)O)C CNP0390712.9 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.21 C[C@@H]1N[C@@H](CC[C@@H]1O)C(=O)O CNP0279818.2 [0,2,0,0,0,0|1,0,0]=3 732 B11R1.21 C[C@@H]1N[C@@H](CC[C@H]1O)C(=O)O CNP0279818.1 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.21 O=C(O)C1=CC[C@H]([C@@H](C1)O)O CNP0081080.1 [0,2,0,0,0,0|0,0,2]=4 734 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@@H](CN1)O)O CNP0196662.2 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CN1)O)O CNP0196662.1 [0,2,0,0,0,0|1,0,0]=3 736 B11R1.21 O=C(O)[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0518569.1 [0,2,0,0,0,0|1,0,0]=3 737 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@@H](CN1)O)O CNP0196662.4 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.21 O=C(O)[C@@H]1C[C@H]([C@H](CN1)O)O CNP0196662.3 [0,2,0,0,0,0|1,0,0]=3 739 B11R1.22 C=C(CO)[C@H]1CC[C@@H](CC1)C CNP0248484.1 [0,2,0,0,0,0|1,0,0]=3 740 B11R1.22 C=C1CCC(CC1)C(=C)CO CNP0522943.0 [0,2,0,0,0,0|1,0,1]=4 741 B11R1.22 C[C@@H](CO)[C@H]1CC[C@@H](CC1)C CNP0163573.4 [0,2,0,0,0,0|1,0,1]=4 742 B11R1.22 C[C@@H](CO)[C@H]1CC[C@H](CC1)C CNP0163573.2 [0,2,0,0,0,0|1,0,1]=4 743 B11R1.22 C[C@H](CO)[C@H]1CC[C@@H](CC1)C CNP0163573.3 [0,2,0,0,0,0|1,0,1]=4 744 B11R1.22 C[C@H](CO)[C@H]1CC[C@H](CC1)C CNP0163573.1 [0,2,0,0,0,0|1,0,1]=4 745 B11R1.22 [CH2]OC(=O)C1=CCC(CC1)C CNP0503925.0 [0,2,0,0,0,0|0,0,2]=4 746 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0232477.6 [0,2,0,0,0,0|2,0,0]=4 747 B11R1.166 C=C(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0232477.7 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0232477.2 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0232477.4 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0232477.5 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0232477.3 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.166 C=C(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0232477.1 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [0,2,0,0,0,0|1,0,1]=4 754 B11R1.166 CC1=CCC(C(C1)C)C(=O)O CNP0603157.0 [0,2,0,0,0,0|0,0,2]=4 755 B11R1.166 C[C@H]1C[S+](C(CN1)C(=O)O)[O-] CNP0546022.1 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.220 CC1CCC(CC1)(N)C(=O)O CNP0542248.0 [0,2,0,0,0,0|0,0,0]=2 757 B11R1.220 NC1(CCC(=O)CC1)C(=O)O CNP0121063.0 [0,2,0,0,0,0|0,0,1]=3 758 B11R1.727 C=C(C)[C@H]1CC[C@@](CC1)(C)O CNP0342537.2 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.727 C=C(C)[C@H]1CC[C@](CC1)(C)O CNP0342537.1 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,2,0,0,0,0|0,0,0]=2 761 B11R1.16 C[C@H](N=C=O)C1CCCCC1 CNP0530844.1 [0,2,0,0,0,0|1,0,1]=4 762 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C CNP0201885.1 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.23 COC(=O)[C@@H]1C[C@@H](CCN1)O CNP0041469.1 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.23 COC(=O)[C@H]1CCCC(=O)N1 CNP0329486.1 [0,2,0,0,0,0|1,0,1]=4 765 B11R1.23 COC(=O)[C@H]1CCCN(C1)C CNP0201885.2 [0,2,0,0,0,0|1,0,0]=3 766 B11R1.878 COC(=O)C1(CCNCC1)N CNP0567140.0 [0,2,0,0,0,0|1,0,0]=3 767 B11R1.878 COC(=O)C1(CCSCC1)N CNP0481809.0 [0,2,0,0,0,0|1,0,0]=3 768 B11R1.53 O=NN1CCCCC1C(=O)O CNP0086472.0 [0,2,0,0,0,0|1,0,0]=3 769 B11R1.159 C=C(C)C1CCCC(C1C)O CNP0518482.0 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.159 O=C(O)C1NCCC(C1O)O CNP0528572.0 [0,2,0,0,0,0|1,0,0]=3 771 B11R1.159 O=C(O)[C@@H]1OCC[C@@H](C1=O)O CNP0270471.1 [0,2,0,0,0,0|1,0,1]=4 772 B11R1.167 CN1CC[C@@H](C[C@H]1C(=O)O)O CNP0239748.2 [0,2,0,0,0,0|1,0,0]=3 773 B11R1.167 CN1CC[C@H](C[C@H]1C(=O)O)O CNP0239748.1 [0,2,0,0,0,0|1,0,0]=3 774 B11R1.177 CC(=O)C1CCCCC1(C)C CNP0573229.0 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.177 C[N+]1(CCCC[C@H]1C(=O)[O-])C CNP0085576.1 [0,2,0,0,0,0|1,0,1]=4 776 B11R1.520 C[C@@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.4 [0,2,0,0,0,0|0,0,0]=2 777 B11R1.520 C[C@@H]1CCCC[C@]1(N)C(=O)O CNP0518909.1 [0,2,0,0,0,0|0,0,0]=2 778 B11R1.520 C[C@H]1CCCC[C@@]1(N)C(=O)O CNP0518909.2 [0,2,0,0,0,0|0,0,0]=2 779 B11R1.520 C[C@H]1CCCC[C@]1(N)C(=O)O CNP0518909.3 [0,2,0,0,0,0|0,0,0]=2 780 B11R1.74 C[C@@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.3 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.74 C[C@@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.2 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.74 C[C@H]1C[S+](C[C@H](N1)C(=O)O)[O-] CNP0570484.2 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.74 C[C@H]1C[S@+](C[C@H](N1)C(=O)O)[O-] CNP0570484.1 [0,2,0,0,0,0|2,0,0]=4 784 B11R1.74 C[C@H]1C[S@H+](C[C@H](N1)C(=O)O)[O-] CNP0509943.1 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.266 CO[C@@H]1CCN[C@H](C1)C(=O)O CNP0128045.2 [0,2,0,0,0,0|1,0,0]=3 786 B11R1.266 CO[C@H]1CCN[C@@H](C1)C(=O)O CNP0128045.1 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.667 C[C@@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.4 [0,2,0,0,0,0|0,0,0]=2 788 B11R1.667 C[C@@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.3 [0,2,0,0,0,0|0,0,0]=2 789 B11R1.667 C[C@H]1CCC[C@@](C1)(N)C(=O)O CNP0546770.1 [0,2,0,0,0,0|0,0,0]=2 790 B11R1.667 C[C@H]1CCC[C@](C1)(N)C(=O)O CNP0546770.2 [0,2,0,0,0,0|0,0,0]=2 791 B11R1.730 C=C(C)[C@@H]1CCC[C@@](C1)(C)O CNP0184664.2 [0,2,0,0,0,0|2,0,0]=4 792 B11R1.730 C=C(C)[C@H]1CCC[C@@](C1)(C)O CNP0184664.1 [0,2,0,0,0,0|2,0,0]=4 793 B11R1.730 CC1(C[C@@H](CCO1)C(=O)O)C CNP0383185.1 [0,2,0,0,0,0|1,0,0]=3 794 B11R1.730 CC1(C[C@H](CCO1)C(=O)O)C CNP0383185.2 [0,2,0,0,0,0|1,0,0]=3 795 B11R1.1074 CNC1(CCCCC1)C(=O)O CNP0498429.0 [0,2,0,0,0,0|0,0,0]=2 796 B11R1.1074 CNC1(CCOCC1)C(=O)O CNP0487299.0 [0,2,0,0,0,0|1,0,0]=3 797 B11R1.1074 CNC1(CCSCC1)C(=O)O CNP0599231.0 [0,2,0,0,0,0|1,0,0]=3 798 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,1,1,0,0|1,0,1]=4 799 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,1,1,0,0|0,0,0]=2 800 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,1,1,0,0|1,0,0]=3 801 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,1,1,0,0|1,0,0]=3 802 B9R1.13 CC(=O)CN1CCCC1 CNP0397826.0 [0,0,1,1,0,0|2,0,0]=4 803 B9R1.13 CC(=O)C[C@@H]1CCCN1 CNP0147247.2 [0,0,1,1,0,0|2,0,0]=4 804 B9R1.13 CC(=O)C[C@H]1CCCN1 CNP0147247.1 [0,0,1,1,0,0|2,0,0]=4 805 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,0,1,1,0,0|0,0,0]=2 806 B9R1.13 O=C(O)CC1CCCS1 CNP0050808.0 [0,0,1,1,0,0|1,0,0]=3 807 B9R1.13 O=C(O)C[C@@H]1C=CCC1 CNP0371740.1 [0,0,1,1,0,0|0,0,2]=4 808 B9R1.13 O=C(O)C[C@@H]1CCCN1 CNP0390024.1 [0,0,1,1,0,0|1,0,0]=3 809 B9R1.13 O=C(O)C[C@H]1C=CCC1 CNP0371740.2 [0,0,1,1,0,0|0,0,2]=4 810 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,0,1,1,0,0|1,0,0]=3 811 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,0,1,1,0,0|0,0,0]=2 812 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,0,1,1,0,0|1,0,1]=4 813 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,1,1,0,0|1,0,0]=3 814 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,0,1,1,0,0|0,0,0]=2 815 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,0,1,1,0,0|1,0,1]=4 816 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,1,1,0,0|1,0,0]=3 817 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,1,1,0,0|0,0,0]=2 818 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,1,1,0,0|2,0,0]=4 819 B9R1.23 O=C1O[C@@H](C[C@@H]1O)CO CNP0181020.1 [0,0,1,1,0,0|2,0,0]=4 820 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,0,1,1,0,0|0,0,0]=2 821 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,0,1,1,0,0|0,0,0]=2 822 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,0,1,1,0,0|0,0,0]=2 823 B9R1.93 CC[C@@H]1C[C@@]1(N)C(=O)O CNP0294977.4 [0,0,1,1,0,0|1,0,0]=3 824 B9R1.93 CC[C@@H]1C[C@]1(N)C(=O)O CNP0294977.3 [0,0,1,1,0,0|1,0,0]=3 825 B9R1.93 CC[C@H]1C[C@@]1(N)C(=O)O CNP0294977.1 [0,0,1,1,0,0|1,0,0]=3 826 B9R1.93 CC[C@H]1C[C@]1(N)C(=O)O CNP0294977.2 [0,0,1,1,0,0|1,0,0]=3 827 B9R1.112 C[C@H](NC1CC1)C(=O)O CNP0492619.1 [0,0,1,1,0,0|1,0,0]=3 828 B9R1.112 N[C@@H](CC1CC1)C(=O)O CNP0115257.1 [0,0,1,1,0,0|1,0,0]=3 829 B9R1.112 N[C@@H](C[C@H]1CO1)C(=O)O CNP0511777.1 [0,0,1,1,0,0|2,0,0]=4 830 B9R1.179 C=CCC1(CC1)C(=O)O CNP0604963.0 [0,0,1,1,0,0|0,0,2]=4 831 B9R2.49 C1=CC2CCC1CC2 CNP0168880.0 [1,0,0,1,0,0|1,0,0]=3 832 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [1,0,0,1,0,0|0,0,1]=3 833 B9R2.49 C1C[C@H]2CC[C@@H]1N=N2 CNP0063584.1 [1,0,0,1,0,0|2,0,0]=4 834 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,1,1,0|1,0,0]=3 835 B9R2.150 O=C(O)[C@H]1N[C@H]2[C@@H]1C2 CNP0249310.1 [0,0,0,1,1,0|1,0,0]=3 836 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,1,0,1|0,0,0]=2 837 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,1,0,1|2,0,0]=4 838 B11R2.1852 CC(=C1C2C1CCCC2)C CNP0612230.0 [0,0,0,1,0,1|2,0,0]=4 839 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,1,0,1,0,0|2,0,0]=4 840 B11R2.845 O=C(O)[C@@H]1C[C@@H]2CC[C@H]1C2 CNP0211377.3 [0,1,0,1,0,0|0,0,0]=2 841 B11R2.845 O=C(O)[C@@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.1 [0,1,0,1,0,0|0,0,2]=4 842 B11R2.845 O=C(O)[C@@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.1 [0,1,0,1,0,0|0,0,0]=2 843 B11R2.845 O=C(O)[C@H]1C[C@H]2C=C[C@H]1O2 CNP0485144.2 [0,1,0,1,0,0|0,0,2]=4 844 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1C2 CNP0211377.2 [0,1,0,1,0,0|0,0,0]=2 845 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,0,1,0|1,0,1]=4 846 B7R1.1 O=CN1CCCC1 CNP0081536.0 [1,0,0,0,1,0|1,0,0]=3 847 B7R1.1 O=NN1CCCC1 CNP0169288.0 [1,0,0,0,1,0|2,0,0]=4 848 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,0,1,0|1,0,1]=4 849 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,0,1,0|1,0,1]=4 850 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,0,1,0|1,0,1]=4 851 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,0,1,0|1,0,1]=4 852 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,0,0,0,2,0|2,0,0]=4 853 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,0,0,0,2,0|1,0,0]=3 854 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,0,0,0,2,0|1,0,0]=3 855 B9R0.14 CCCC(CC)OC(=O)C CNP0522744.0 [0,0,1,0,0,1|1,0,0]=3 856 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [0,0,0,0,0,2|0,0,2]=4 857 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [0,0,0,0,0,2|0,0,0]=2 858 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [0,0,0,0,0,2|2,0,0]=4 859 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [0,0,0,0,0,2|2,0,0]=4 860 B11R1.706 C=C(C)C1C=CCCCCC1 CNP0507387.0 [0,0,0,0,0,2|2,0,0]=4 861 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [0,0,0,0,0,2|0,0,0]=2 862 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [0,0,0,0,0,2|0,0,0]=2