0 B7R0.7 CCCC(O)COC AC010185 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 CCOC(=O)CCBr AC510407 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.7 CCOC(=O)CCI AC180478 [0,0,0,0,0,0|1,0,0]=1 3 B7R0.7 CCOC(=O)CNN AC180293 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.7 COCC(=O)COC AC512018 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.7 ClCCC(=O)CCCl AC270026 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCC(C)CNC AC010501 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCC(C)CNC AC010533 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CCCC(C)NC AC010486 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CCCC(C)NC AC010524 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCC[C@H](N)CO AC020141 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=O)CI AC131813 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.1 CCOC(=O)CO AC130521 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.1 CCOC(=O)CS AC130132 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.1 COC(=O)CCBr AC511067 [1,0,0,0,0,0|1,0,0]=2 15 B6R0.1 COC(=O)CCN AC510724 [1,0,0,0,0,0|1,0,0]=2 16 B8R0.1 C#CCCC(=O)CCO LN02210609 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.1 CCOC(=O)/C=C/C=O AC511142 [0,1,0,0,0,0|0,0,3]=4 18 B8R0.1 CCOC(=O)CCCI LN00197663 [0,1,0,0,0,0|0,0,0]=1 19 B8R0.1 CCOC(=O)CCNC AC020893 [0,1,0,0,0,0|0,0,0]=1 20 B8R0.3 CCOC(=O)C(/Cl)=N/O AC180247 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.3 CCOC(=O)C(=C)CBr AC511560 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.3 CCOC(=O)C(=O)CBr AC131178 [0,1,0,0,0,0|1,0,1]=3 23 B8R0.3 CCOC(=O)C(C)C#N AC180304 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,1,0,0,0,0|1,0,0]=2 25 B8R0.5 CC(C)OC(=O)OCCl AC511675 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.5 CCCC(C)CC(C)C AC220173 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.5 CCOC(=O)CC(N)=N AC182051 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.5 CCOC(=O)CC(N)=O AC180464 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [0,1,0,0,0,0|0,0,0]=1 31 B8R0.22 CCOC(CN)OCC AC130159 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.30 CCOP(O)(=O)OCC HY-101417 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.4 CC1CC(=O)CCO1 AC220032 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 CC1CCCC(C)N1 HY-B1191 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.4 CC1CCCC(N)C1 AC050625 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.4 CN1CCC=C(Br)C1 AC160405 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 CN1CCCC(=O)C1 AC182125 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 CN1CCNC(=O)C1 AC182677 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 CN1CCOC(=O)C1 AC170002 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.4 O=C1CCCC(=O)C1 AC510798 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.4 OC1CCNC(=O)C1 AC182440 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.22 C1CNCCN=C1O LN00119415 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.22 CC1CCCCCN1 LN00112400 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.22 CC1CNCCCO1 LN00001905 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.22 O=C1CCCCC=C1 AC510631 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.22 O=C1CCCNCC1 AC170015 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.22 O=C1CCNCCN1 AC182497 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.22 O=C1CNCCCN1 AC182793 [0,0,0,1,0,0|2,0,0]=3 49 B5R0.1 CC(=O)CC#N AC511126 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.1 CCCB(O)O AC500236 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 CCCC([O-])=O HY-B0350A [2,0,0,0,0,0|0,0,1]=3 52 B5R0.1 CCOC(C)=N AC510695 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CCOC(N)=O HY-B1207 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 CCOC([S-])=S AC510653 [2,0,0,0,0,0|1,1,0]=4 55 B5R0.1 CNCC(O)=O AC500168 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 NCCC(N)=O AC510910 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 NCCS(O)=O HY-100803 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 OC(=O)CC#C AC511130 [2,0,0,0,0,0|0,0,2]=4 59 B5R0.2 CCO\C=C\Br LN00003736 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.3 COC(=O)CO AC190202 [2,0,0,0,0,0|1,0,0]=3 61 B7R0.3 COC(=O)CCCBr AC511051 [1,1,0,0,0,0|0,0,0]=2 62 B7R0.3 COC(=O)CCCN AC510644 [1,1,0,0,0,0|0,0,0]=2 63 B7R0.5 CCOC(=N)C(C)C AC200066 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.5 CCOC(=O)C(F)F AC510778 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.10 COC(=O)C(=C)CBr AC510213 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.10 CON(C)C(=O)OC AC160921 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.1 COCCOCCN AC511654 [1,1,0,0,0,0|1,0,1]=4 71 B7R0.4 CCCCCC(C)N HY-B0952 [1,1,0,0,0,0|1,0,1]=4 72 B9R0.5 CCO/C=C/C(=O)OCC AC180239 [0,2,0,0,0,0|0,0,1]=3 73 B9R0.5 CCOC(=O)CCCCBr AC511147 [0,2,0,0,0,0|0,0,0]=2 74 B9R0.5 CCOC(=O)COCCCl AC512070 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.34 CCOC(=O)CC(=O)CBr AC130161 [0,2,0,0,0,0|0,0,1]=3 76 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,2,0,0,0,0|0,0,0]=2 77 B9R0.34 CCOC(=O)CC(=O)CCl AC130329 [0,2,0,0,0,0|0,0,1]=3 78 B9R0.34 CCOC(=O)CC(=O)NN AC200033 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.48 CCOC(=O)CCC(C)=O AC510825 [0,2,0,0,0,0|0,0,0]=2 80 B9R0.6 CCOC(=O)C(C)C(=O)C LN00008899 [0,2,0,0,0,0|0,0,1]=3 81 B9R0.6 CCOC(=O)C(C)C(C)=O AC511841 [0,2,0,0,0,0|0,0,1]=3 82 B9R0.6 CCOC(=O)C(Cl)C(C)=O AC510869 [0,2,0,0,0,0|0,0,1]=3 83 B9R0.19 CCOC(=O)C(C)(C)CN LN01365977 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.19 CCOC(=O)C(F)(F)CN AC160163 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.23 CC(C)OC(=O)C(=O)CBr AC021023 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.44 CC(C)(C)OC(=O)CC#N AC130155 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.44 CC(C)(C)OC(=O)CCN AC510856 [0,2,0,0,0,0|1,0,0]=3 88 B9R0.44 CCOC(=O)CC(C)(C)N AC182655 [0,2,0,0,0,0|0,0,0]=2 89 B9R0.15 CCCC(CCC)C(O)=O HY-10585 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.15 CCCC(CCC)C([O-])=O HY-10585A [0,2,0,0,0,0|1,0,1]=4 91 B9R0.59 CCOP(=O)(OCC)C=C AC100062 [0,2,0,0,0,0|2,0,0]=4 92 B7R1.2 C1[C@H](COC1=O)N LN00239300 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.2 N[C@@H]1CNC(=O)C1 AC190037 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.2 O=C1CCC(=O)C1 AC170075 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.2 O[C@@H]1CNC(=O)C1 AC180993 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.3 C=C1CCNCC1 AC050993 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.3 C=C1CCNCC1 AC220141 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.3 C=C1CCOCC1 AC220043 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.3 CC1=CCCCC1 AC220166 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.3 NN1CCCCC1 AC160501 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.3 NN1CCCCC1 AC510696 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.3 O=C1CCCOC1 AC220056 [1,0,0,1,0,0|1,0,0]=3 103 B7R1.3 O=C1CCOCC1 AC180169 [1,0,0,1,0,0|1,0,0]=3 104 B7R1.3 O=C1CCSCC1 AC180170 [1,0,0,1,0,0|1,0,0]=3 105 B7R1.3 O=C1CNCCN1 AC181220 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 O=C1COCCN1 AC130162 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.4 BrC1CCOC1=O AC130063 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.4 C[C@H]1CCC[C@@H]1O LN00004654 [1,0,0,1,0,0|0,0,2]=4 109 B7R1.4 C[C@H]1CCC[C@H]1O LN00004778 [1,0,0,1,0,0|0,0,2]=4 110 B7R1.4 NN1CCCC1=O AC050447 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.4 N[C@@H]1CCOC1=O AC511454 [1,0,0,1,0,0|1,0,0]=3 112 B7R1.4 N[C@H]1CCOC1=O AC511602 [1,0,0,1,0,0|1,0,0]=3 113 B7R1.4 N[C@H]1CCSC1=O HY-101404A [1,0,0,1,0,0|1,1,0]=4 114 B7R1.4 O[C@H]1CCNC1=O AC182048 [1,0,0,1,0,0|2,0,0]=4 115 B7R1.22 COC(=O)[C@H]1CO1 AC070001 [1,0,0,1,0,0|1,0,0]=3 116 B7R1.22 NNC(=O)C1CC1 AC010237 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.24 C1CNCCOC1 AC050170 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.24 C1CNCCOC1 LN00001820 [1,0,0,1,0,0|1,0,1]=4 119 B9R1.27 CCC1=C(C)CNC1=O AC180824 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.33 NCCN1CCNC1=O AC290046 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.48 O=C1CCCCC(=O)C1 AC181368 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.49 CN1CCCC(=O)CC1 AC182168 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.49 CN1CCNC(=O)CC1 AC182365 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.50 O=C1CCCCCCC1 AC510797 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.73 CCOC(=O)C1CCC1 AC180015 [0,1,0,1,0,0|0,0,0]=2 126 B9R1.75 CCOC(=O)CC1CC1 AC050573 [0,1,0,1,0,0|0,0,0]=2 127 B9R1.5 CC1CCNCCC1=O LN00001918 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.5 NC1CCCCNC1=O AC021266 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.5 NC1CCCCNC1=O AC180582 [0,1,0,1,0,0|1,0,0]=3 130 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,1,0,1,0,0|1,0,0]=3 131 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,1,0,1,0,0|1,0,0]=3 132 B9R1.132 CN1CCC(CO)C1=O AC512125 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.66 CC1(C)CC(=O)CCO1 AC050266 [0,1,0,1,0,0|2,0,0]=4 134 B9R2.25 O=C1OC(=O)C2CC12 AC180715 [0,0,0,2,0,0|1,0,1]=4