0 B8R0.3 CCOC(=O)C(/Cl)=N/O AC180247 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.3 CCOC(=O)C(=C)CBr AC511560 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.3 CCOC(=O)C(=O)CBr AC131178 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.3 CCOC(=O)C(C)C#N AC180304 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.3 CCOC(=O)[C@@H](N)CO AC511631 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.5 CCOC(=N)C(C)C AC200066 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.5 CCOC(=O)C(F)F AC510778 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.7 CCOC(=O)CCBr AC510407 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.7 CCOC(=O)CCI AC180478 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.7 CCOC(=O)CNN AC180293 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.7 COCC(=O)COC AC512018 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.7 ClCCC(=O)CCCl AC270026 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.10 COC(=O)C(=C)CBr AC510213 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.10 COC(=O)[C@@H](N)CO AC180573 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.10 COC(=O)[C@@H](N)CS HY-B1038 [1,0,0,0,0,0|2,0,0]=3 15 B7R0.10 COC(=O)[C@@H](O)CO AC070074 [1,0,0,0,0,0|2,0,0]=3 16 B7R0.10 CON(C)C(=O)CCl AC130067 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.10 CON(C)C(=O)OC AC160921 [1,0,0,0,0,0|2,0,0]=3 18 B9R0.6 CCOC(=O)C(C)C(=O)C LN00008899 [0,1,0,0,0,0|0,0,1]=2 19 B9R0.6 CCOC(=O)C(C)C(C)=O AC511841 [0,1,0,0,0,0|0,0,1]=2 20 B9R0.6 CCOC(=O)C(Cl)C(C)=O AC510869 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.19 CCOC(=O)C(C)(C)CN LN01365977 [0,1,0,0,0,0|1,0,0]=2 22 B9R0.19 CCOC(=O)C(F)(F)CN AC160163 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.23 CC(C)OC(=O)C(=O)CBr AC021023 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.5 CC1CCNCCC1=O LN00001918 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.5 NC1CCCCNC1=O AC021266 [0,0,0,1,0,0|2,0,0]=3 26 B9R1.5 NC1CCCCNC1=O AC180582 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.5 N[C@@H]1CCCCNC1=O AC180246 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.5 N[C@H]1CCCCNC1=O AC180583 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.73 CCOC(=O)C1CCC1 AC180015 [0,0,0,1,0,0|0,0,0]=1 30 B9R1.132 CN1CCC(CO)C1=O AC512125 [0,0,0,1,0,0|3,0,0]=4 31 B9R0.34 CCOC(=O)CC(=O)CBr AC130161 [0,0,0,0,0,1|2,0,1]=4 32 B9R0.34 CCOC(=O)CC(=O)CC AC511712 [0,0,0,0,0,1|1,0,1]=3 33 B9R0.34 CCOC(=O)CC(=O)CCl AC130329 [0,0,0,0,0,1|2,0,1]=4 34 B6R0.1 CCC(C)CNC AC010501 [2,0,0,0,0,0|1,0,1]=4 35 B6R0.1 CCC(C)CNC AC010533 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 CCCC(C)NC AC010486 [2,0,0,0,0,0|1,0,1]=4 37 B6R0.1 CCCC(C)NC AC010524 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.1 CCOC(=O)CI AC131813 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.1 CCOC(=O)CO AC130521 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.1 CCOC(=O)CS AC130132 [2,0,0,0,0,0|1,0,0]=3 41 B6R0.1 COC(=O)CCBr AC511067 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 COC(=O)CCN AC510724 [2,0,0,0,0,0|1,0,0]=3 43 B6R0.3 CCC(=O)N(C)C AC130337 [2,0,0,0,0,0|1,0,0]=3 44 B6R0.3 CCC(C)C(O)=O AC180050 [2,0,0,0,0,0|0,0,0]=2 45 B6R0.3 CCC(N)C(N)=O AC021619 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.3 CC[C@H](N)C(O)=O AC511519 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.3 CN(C)C(=O)CBr AC511120 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.3 CN(C)C(=O)CN AC190042 [2,0,0,0,0,0|2,0,0]=4 50 B6R0.3 COC(=O)C(C)C AC130130 [2,0,0,0,0,0|0,0,0]=2 51 B6R0.3 COC(=O)[C@@H](C)N AC511504 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.3 COC(=O)[C@H](C)N AC500273 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.3 COC(C)C(O)=O AC511149 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.3 CON(C)C(C)=O AC130053 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.3 NC[C@H](N)C(O)=O AC511517 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.3 N[C@H](CO)C(O)=O AC180073 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.3 N[C@H](CS)C(O)=O AC180279 [2,0,0,0,0,0|2,0,0]=4 59 B8R0.2 CON(C)C(=O)C(C)C AC100055 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.14 CC(C)(C)C(=O)OCCl AC500243 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.14 CCOC(=O)C(C)(F)F AC220004 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.14 CCOC(=O)C(F)(F)Br AC130230 [1,1,0,0,0,0|2,0,0]=4 63 B8R0.5 CC(C)OC(=O)OCCl AC511675 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.5 CCOC(=O)CC(N)=N AC182051 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.5 CCOC(=O)CC(N)=O AC180464 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.5 CCOC(=O)CC([O-])=O AC130069 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.5 CCOC(=O)C[C@@H](C)O AC180621 [1,1,0,0,0,0|0,0,0]=2 68 B8R0.30 CCOP(O)(=O)OCC HY-101417 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.13 CCC(=O)C(C)(C)C=O LN01360485 [1,1,0,0,0,0|1,0,1]=4 70 B10R0.2 CCOC(=N)CC(=O)OCC LN00010043 [0,1,0,0,0,1|1,0,1]=4 71 B10R0.2 CCOC(=O)C[C@H](O)CC#N AC180987 [0,1,0,0,0,1|1,0,1]=4 72 B10R0.36 CCOC(=O)C(C)(C)C(O)=O AC021606 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.32 CCOC(=O)C(=O)CC(=O)C LN00009536 [0,2,0,0,0,0|1,0,1]=4 74 B8R1.2 OCC1CCCOC1 AC050373 [1,0,0,1,0,0|1,0,1]=4 75 B8R1.5 CC1COCCC1N AC050303 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.22 CC1CCCCCN1 LN00112400 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.22 CC1CCCCNC1 LN00001181 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.4 CC1CC(=O)CCO1 AC220032 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.4 CN1CCCC(=O)C1 AC182125 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.4 CN1CCNC(=O)C1 AC182677 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.4 CN1CCOC(=O)C1 AC170002 [1,0,0,1,0,0|1,0,0]=3 82 B8R1.4 OC1CCNC(=O)C1 AC182440 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.39 COC(=O)C1(Br)CC1 AC130029 [1,0,0,1,0,0|1,0,0]=3 84 B10R1.137 CCOC(=O)CC1CCC1 AC050526 [0,0,0,1,0,1|0,0,0]=2 85 B10R1.137 CCOC(=O)CC1COC1 AC050275 [0,0,0,1,0,1|1,0,0]=3 86 B10R1.34 OC[C@H]1OC(=O)[C@H](O)[C@@H]1O AC021161 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.61 CC(=O)C1CCCCC1=O AC220177 [0,1,0,1,0,0|1,0,1]=4 88 B10R1.61 CC(C)C1CNCCC1=O AC050379 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.401 CCOC(=O)C1(N)CCC1 AC050357 [0,1,0,1,0,0|0,0,0]=2 90 B10R1.405 CCOC(=O)C1(CBr)CC1 AC050433 [0,1,0,1,0,0|0,0,0]=2 91 B10R1.405 CCOC(=O)C1(CC1)C#N AC021007 [0,1,0,1,0,0|0,0,1]=3 92 B10R1.405 CCOC(=O)C1(CC1)CN LN00162174 [0,1,0,1,0,0|0,0,0]=2 93 B10R1.405 CCOC(=O)C1(CN)CC1 AC021082 [0,1,0,1,0,0|0,0,0]=2 94 B10R1.405 CCOC(=O)C1(CO)CC1 AC512119 [0,1,0,1,0,0|0,0,0]=2 95 B10R1.11 CCOC(=O)C1CCNC1 AC182738 [0,1,0,1,0,0|0,0,0]=2 96 B10R2.62 O=C1CN2CCC1CC2 AC020660 [0,0,0,2,0,0|2,0,0]=4 97 B10R2.62 O=C1CN2CCC1CC2 AC020668 [0,0,0,2,0,0|2,0,0]=4