0 B8R0.1 CCOC(=O)CCCI AK102411 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.1 CCOC(=O)CCCN AK-47111 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 O=C(OCC)CCCBr AK-41609 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.3 C=CC(NCCN)=O AK142923 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.3 CCCCC(NN)=O AK114657 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.3 O=C(OC)CCCBr AK-94853 [1,0,0,0,0,0|2,0,0]=3 6 B7R0.3 O=C(OC)CCNC AK-85857 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.7 C(C)OC(CCI)=O AK-46570 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.7 CC#CC(OCC)=O AK-44989 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.7 CCOC(=O)CCBr AK-76993 [1,0,0,0,0,0|2,0,1]=4 10 B7R0.7 CCOC(=O)CCO AK-41251 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.7 O=C(COC)COC AK116819 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.7 O=C(NCC)NCC AK116700 [1,0,0,0,0,0|2,0,1]=4 13 B7R0.7 O=C(OCC)CCN AK-49791 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.7 O=C(OCC)CNC AK-44190 [1,0,0,0,0,0|2,0,1]=4 15 B7R0.7 O=C(OCC)\C=C\I AK117013 [1,0,0,0,0,0|2,0,0]=3 16 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,1,0,0,0,0|1,0,1]=3 17 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,1,0,0,0,0|1,0,1]=3 18 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.18 C(C(CCCCl)=O)CCCl AK-46594 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.34 O=C(OCC)C[C@H](O)CCl AK-50772 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.35 C(C)CC(C(OCC)=O)=O AK-46676 [0,1,0,0,0,0|1,0,2]=4 24 B9R0.35 [C@H](N)(CCC)C(=O)OCC AK-41697 [0,1,0,0,0,0|1,0,1]=3 25 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,1,0,0,0,0|1,0,2]=4 26 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.12 CCCCC1=CC=CS1 AK142166 [0,0,0,1,0,0|0,1,1]=3 29 B9R1.12 CCOCC1=CC=CO1 AK119688 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.27 O=C1NCC(C)=C1CC AK-26320 [0,0,0,1,0,0|1,0,2]=4 31 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,1,0,0|1,0,1]=3 32 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,0,0,1,0,0|0,0,2]=3 35 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.69 C1C(N)C(=O)NC(=O)C1 AK-46561 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.69 CC1CCC(=O)NC1=O AK-80663 [0,0,0,1,0,0|2,0,0]=3 38 B9R1.69 O=C1CC(C(CN1)C)=O AK-24495 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.73 O=C(C1CNC1)OCC AK-51603 [0,0,0,1,0,0|2,0,1]=4 40 B6R0.6 C=CCCCCBr AK-48086 [2,0,0,0,0,0|1,0,1]=4 41 B6R0.6 C\C=C\CCCO AK-46431 [2,0,0,0,0,0|1,0,0]=3 42 B6R0.1 CCCC(NN)=O AK-95909 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 O=C(OC)CCBr AK-91613 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 O=C(OC)CCN AK-46776 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.1 O=C(OC)CCO AK-83355 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.1 O=C(OC)CNC AK-58375 [2,0,0,0,0,0|2,0,0]=4 47 B6R0.1 O=C(OC)OCC AK397345 [2,0,0,0,0,0|2,0,0]=4 48 B6R0.1 O=C(OC)\C=C\I AK-49986 [2,0,0,0,0,0|2,0,0]=4 49 B6R0.4 CC(CCCCl)=O AK-48368 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 CC(OCCBr)=O AK165045 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CCCCC([O-])=O AK163205 [2,0,0,0,0,0|1,0,0]=3 52 B6R0.4 NC(OCCC)=O AK116320 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 O=C(O)CCCCl AK113749 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 O=C(O)CCCN AK-43987 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 O=C(O)CCNC AK155866 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 O=C(O)CCOC AK-88477 [2,0,0,0,0,0|2,0,0]=4 57 B8R0.4 CCC\C=C\C=C\C=O AK-88482 [1,1,0,0,0,0|0,0,2]=4 58 B8R0.6 C=CC(CCCCC)=O AK164478 [1,1,0,0,0,0|0,0,2]=4 59 B8R0.3 O=C(OC)[C@H](N)COC AK174036 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [1,1,0,0,0,0|0,0,1]=3 61 B8R0.9 C=CC(OCC(O)C)=O AK110453 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [1,1,0,0,0,0|1,0,1]=4 63 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [1,1,0,0,0,0|0,0,2]=4 64 B8R0.19 CC[C@H](N)CC(OC)=O AK608037 [1,1,0,0,0,0|1,0,0]=3 65 B8R0.5 C(=O)(NC(C)C)CCC AK-95275 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.5 C(C(OCC)=O)C(C)O AK-73006 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.5 O[C@@H](CC(=O)OCC)C AK-44441 [1,1,0,0,0,0|1,0,1]=4 68 B10R0.18 CCCCC(CC(OC)=O)=O AK105368 [0,2,0,0,0,0|0,0,1]=3 69 B10R0.18 O=C(OC)CC(CCOC)=O AK-78860 [0,2,0,0,0,0|1,0,1]=4 70 B10R0.32 CC(C)CC(N)C(OCC)=O AK153054 [0,2,0,0,0,0|1,0,1]=4 71 B10R0.32 [C@H](N)(CC(C)C)C(=O)OCC AK-49643 [0,2,0,0,0,0|1,0,1]=4 72 B10R0.1 CCOC(=O)CCCCCBr AK111109 [0,2,0,0,0,0|1,0,1]=4 73 B10R0.1 O=C(OCC)CCCCCN AK145590 [0,2,0,0,0,0|1,0,1]=4 74 B10R0.3 CCOC(=O)CCCC(C)=C AK103346 [0,2,0,0,0,0|1,0,1]=4 75 B10R0.19 O=C(C(=O)OCC)CCCC AK-46512 [0,2,0,0,0,0|0,0,1]=3 76 B10R0.83 C=C(C#N)C(OCCCC)=O AK162172 [0,2,0,0,0,0|1,0,1]=4 77 B10R0.78 O=C(C)CCC(OCCC)=O AK326213 [0,2,0,0,0,0|1,0,1]=4 78 B8R1.2 OCC1CCC=CC1 AK-63968 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.22 O=C1C=CCCCC1 AK-88461 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.3 CN1CCC(=O)CC1 AK-39177 [1,0,0,1,0,0|1,0,1]=4 81 B8R1.3 O=C1CCC(N)CC1 AK-46313 [1,0,0,1,0,0|1,0,1]=4 82 B8R1.3 O=C1COC(O)C=C1 AK-82130 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.3 O=C1NCC(N)CC1 AK132996 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.3 O=C1NCC(O)CC1 AK-54796 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.3 OC1CCC(=O)CC1 AK-46440 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.38 N1CC(C1)C(=O)OC AK-38972 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.38 O=C(C1NCC1)OC AK-83806 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.50 CC=1CCC(C1O)=O AK103328 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.4 NC=1CCCC(C1)=O AK-49851 [1,0,0,1,0,0|1,0,0]=3 92 B8R1.4 O=C1CC(CCC1)=O AK-44688 [1,0,0,1,0,0|1,0,1]=4 93 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [1,0,0,1,0,0|2,0,0]=4 95 B10R1.16 CN1C=C[N+](CCCC)=C1 AK-98698 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.16 CN1C=C[N+](CCCC)=C1 AK109393 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.16 CN1C=C[N+](CCCC)=C1 AK161826 [0,1,0,1,0,0|2,0,0]=4 98 B10R1.16 C[N+]1=CN(CCCC)C=C1 AK-44569 [0,1,0,1,0,0|2,0,0]=4 99 B10R1.130 CCCC1=C(O)OC(=O)C1 AK103363 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.130 O=C1OC(OCC)C(Br)=C1 AK-51536 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.11 CCOC(=O)C1CCNC1 AK-89599 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.11 N1CCC(C1)C(=O)OCC AK-65324 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.11 O=C(C1OCCC1)OCC AK-62782 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.11 O=C([C@H]1NCCC1)NCC AK170245 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.11 O=C([C@H]1NCCC1)OCC AK133273 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.21 CCCCCC1=CC=CS1 AK117060 [0,1,0,1,0,0|0,1,1]=4 107 B10R1.25 C(C)C1CNC(CC1=O)=O AK-24496 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.29 CCCCC1=C(Br)SC=C1 AK-88319 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.15 COC(=O)C1=CCCCC1 AK-89355 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.34 O=C1OC(CC)C(C)=C1O AK115095 [0,1,0,1,0,0|1,0,0]=3 111 B10R1.140 O=C(C1CC(O)C1)OCC AK-51687 [0,1,0,1,0,0|1,0,1]=4 112 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC AK132734 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.401 O=C(C1(C)CCC1)OCC AK554630 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.401 O=C(C1(N)CCC1)OCC AK144798 [0,1,0,1,0,0|1,0,1]=4 115 B10R2.62 O=C1C2CCC(CC2)C1 AK144709 [0,0,0,2,0,0|0,0,2]=4 116 B10R2.71 O=C1CC2CC(CC2)C1 AK165360 [0,0,0,2,0,0|0,0,2]=4 117 B10R2.190 O=C1NCCC12CCC2 AK203987 [0,0,0,2,0,0|1,0,1]=4