0 B8R0.1 C#CCCC(CCO)=O AK544192 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCCI AK102411 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.1 CCOC(=O)CCCN AK-47111 [0,0,0,0,0,0|1,0,1]=2 3 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.1 C=CCCCCCBr AK-40908 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 C=CCCCCNC AK142907 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.3 COC(=O)CNC=O AK111067 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.7 CC#CC(OCC)=O AK-44989 [1,0,0,0,0,0|0,0,3]=4 11 B7R0.7 CCOC(=O)CCBr AK-76993 [1,0,0,0,0,0|1,0,0]=2 12 B7R0.7 CCOC(=O)CCO AK-41251 [1,0,0,0,0,0|1,0,0]=2 13 B7R0.7 O=C(NCC)NCC AK116700 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 O=C(OCC)C#CBr AK127753 [1,0,0,0,0,0|1,0,2]=4 15 B7R0.7 O=C(OCC)CCN AK-49791 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 O=C(OCC)CNC AK-44190 [1,0,0,0,0,0|1,0,1]=3 17 B7R0.7 O=C(OCC)CNN AK-50556 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 O=C(OCC)OCCl AK128867 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 O=C(OCC)\C=C\I AK117013 [1,0,0,0,0,0|1,0,1]=3 20 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,1,0,0,0,0|0,0,2]=3 21 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,1,0,0,0,0|0,0,2]=3 22 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,1,0,0,0,0|1,0,1]=3 23 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,0|0,0,3]=4 25 B9R0.34 O=C(OCC)CC(NN)=O AK-81585 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.34 O=C(OCC)\C=C(C)\C=O AK-45194 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,1,0,0,0,0|0,0,3]=4 29 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,1,0,0,0,0|0,0,2]=3 30 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,1,0,0,0,0|0,0,1]=2 31 B9R0.48 CCOC(=O)/C=C/C(O)=O AK-48066 [0,1,0,0,0,0|1,0,2]=4 32 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.8 C1=CC=NN=C1OCC AK-50551 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.8 CCOC1=NC=CC=C1 AK-88755 [0,0,0,1,0,0|1,0,2]=4 36 B9R1.8 CCOC1=NN=CC=C1 AK-50365 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.15 O=C1C(CC)=CC=NN1 AK132188 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|1,0,2]=4 41 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,2]=4 42 B9R1.50 OC1CC\C=C/CCC1 AK-79871 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,0,0,1,0,0|1,0,1]=3 44 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,1]=4 45 B6R0.1 C#CCC(OC)=O AK-93397 [2,0,0,0,0,0|0,0,2]=4 46 B6R0.1 O=C(NCC)CN AK-65785 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|1,0,1]=4 51 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.1 O=C(OC)\C=C\I AK-49986 [2,0,0,0,0,0|1,0,1]=4 53 B6R0.1 O=C(OCC)CO AK-98662 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.4 O=C(O)CCC#N AK-47909 [2,0,0,0,0,0|1,0,1]=4 56 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|1,0,1]=4 57 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|1,0,1]=4 58 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.4 OC(=O)CCC#C AK-32594 [2,0,0,0,0,0|0,0,2]=4 61 B8R0.4 C=CCCCCCCCl AK164503 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.6 C=CC(O)CCCCC AK164470 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.3 C=CCC(N)C(OC)=O AK164017 [1,1,0,0,0,0|0,0,0]=2 64 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [1,1,0,0,0,0|0,0,2]=4 66 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [1,1,0,0,0,0|1,0,0]=3 67 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.9 O=C(O)CNC(OC)=O AK158445 [1,1,0,0,0,0|2,0,0]=4 69 B8R0.9 O=S(CCC(OC)=O)[O-] AK115883 [1,1,0,0,0,0|2,0,0]=4 70 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|0,0,2]=4 71 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,1,0,0,0,0|1,0,1]=4 72 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,1,0,0,0,0|0,0,1]=3 73 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [1,1,0,0,0,0|1,0,1]=4 74 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [1,1,0,0,0,0|1,0,0]=3 75 B8R0.5 O=C(OCC)CC(N)=S AK109338 [1,1,0,0,0,0|1,0,0]=3 76 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [1,1,0,0,0,0|1,0,0]=3 77 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,1,0,0,0,0|0,0,1]=3 78 B10R0.28 CC(C)(C)OC(=O)NCC=C AK-50130 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.28 O=C(OC(C)(C)C)CCCBr AK-94092 [0,2,0,0,0,0|1,0,1]=4 80 B10R0.28 O=C(OC(C)(C)C)CCCN AK-77085 [0,2,0,0,0,0|1,0,1]=4 81 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,2,0,0,0,0|0,0,2]=4 82 B10R0.32 CC(CC(C(OCC)=O)=O)=O AK-49984 [0,2,0,0,0,0|0,0,2]=4 83 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,2,0,0,0,0|0,0,2]=4 84 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,2,0,0,0,0|0,0,2]=4 85 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,2,0,0,0,0|0,0,2]=4 86 B10R0.1 O=C(OCC)CNCCC#N AK188033 [0,2,0,0,0,0|0,0,2]=4 87 B10R0.2 O=C(OCC)C[C@H](O)CC#N AK-50683 [0,2,0,0,0,0|0,0,2]=4 88 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,2,0,0,0,0|0,0,0]=2 89 B10R0.3 O=C(O)CCCC(OCC)=O AK486985 [0,2,0,0,0,0|0,0,1]=3 90 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|0,0,2]=4 91 B10R0.108 O=C(OCC)CNC(OC)=O AK-93553 [0,2,0,0,0,0|1,0,1]=4 92 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,2,0,0,0,0|0,0,1]=3 93 B10R0.26 O=C(OCC)CN(C)C(N)=N AK129324 [0,2,0,0,0,0|2,0,0]=4 94 B10R0.33 O=C(OCC)C(C#N)CC#N AK109079 [0,2,0,0,0,0|1,0,1]=4 95 B8R1.49 C/1=C/CC\C=C/CC1 AK-32988 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.49 C/1=C/CC\C=C/CC1 AK109339 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.49 C/1=C/CC\C=C/CC1 AK112792 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.49 C/1=C/CC\C=C/CC1 AK114035 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.3 CN1CCC(=O)CC1 AK-39177 [1,0,0,1,0,0|1,0,1]=4 100 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [1,0,0,1,0,0|1,0,0]=3 101 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,0,0,1,0,0|1,0,1]=4 102 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [1,0,0,1,0,0|1,0,1]=4 104 B8R1.38 O=C(C1NCC1)OC AK-83806 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.50 CC1C(CCC1=O)=O AK-50538 [1,0,0,1,0,0|1,0,0]=3 106 B8R1.4 CN1CCOC(=O)C1 AK-33826 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.4 N1CCC(CC1=O)=O AK-23571 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.4 NC1CCNC(C1)=O AK-26117 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.4 O=C1CC(C)NCC1 AK-45778 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.4 O=C1NCCC(O)C1 AK-27778 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [1,0,0,1,0,0|2,0,0]=4 113 B10R1.11 C1=C(C(=O)OCC)SC=N1 AK-29162 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.11 C1=C([NH]C=N1)C(OCC)=O AK-25642 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.11 C1=C[NH]C(=N1)C(OCC)=O AK-39974 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.11 CCOC(=O)C1=CC=CN1 AK-25609 [0,1,0,1,0,0|0,0,2]=4 117 B10R1.11 CCOC(=O)C1=CNC=C1 AK-41135 [0,1,0,1,0,0|0,0,2]=4 118 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,1,0,1,0,0|0,0,2]=4 119 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,1,0,1,0,0|0,0,2]=4 120 B10R1.11 O=C(C1=CC=NO1)OCC AK-68489 [0,1,0,1,0,0|1,0,1]=4 121 B10R1.11 O=C(C1=COC=N1)OCC AK-28248 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.11 O=C(C1=NC=CO1)OCC AK-68691 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.11 O=C(C1=NNC=C1)OCC AK-45333 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.11 O=C(C1CC=NN1)OCC AK-80964 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,1,0,1,0,0|0,0,2]=4 127 B10R1.11 O=C([C@H]1NCSC1)OCC AK-81296 [0,1,0,1,0,0|1,0,1]=4 128 B10R1.135 O=C(C1C(C=O)C1)OCC AK159087 [0,1,0,1,0,0|0,0,1]=3 129 B10R1.4 O=C1C(OCC)=CC=CN1 AK130647 [0,1,0,1,0,0|1,0,1]=4 130 B10R1.118 O=C1[C@@H](C)OC([C@H](O1)C)=O AK-57455 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.140 O=C(C1CC(C1)=O)OCC AK-68248 [0,1,0,1,0,0|0,0,1]=3 132 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,1,0,1,0,0|0,0,2]=4 133 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.113 O=C(C1CC(NCC1)=O)O AK-51685 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.113 OC(=O)C1CCCC(=O)C1 AK-64002 [0,1,0,1,0,0|2,0,0]=4