0 B11R1.40 COC(=O)CC1CCOCC1 AK-76203 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.40 O=C(OC)CC1CCNCC1 AK-44290 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.40 OC[C@@H](N)CC1CCCCC1 AK-57591 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 C(CCC)C1CCNCC1 AK-27060 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CCCCN1CCOCC1 AK-47686 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 COCCN1CCNCC1 AK-33155 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.18 CC(N)CC1CCCCC1 AK-51120 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.18 CN(C)CC1CNCCO1 AK-28754 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.18 O=C(O)CC1CCCCC1 AK-41373 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 OB(CC1CCCCC1)O AK-85394 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.34 O=C(OC)[C@@H](N)C1CCCCC1 AK-41805 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.43 C[C@H](NC1CCCCC1)C(O)=O AK-78569 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 N[C@@H](CC1CCCCC1)C(O)=O AK392146 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.43 O=C(O)[C@@H](N)CC1CCCCC1 AK-34483 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.43 O=C(O)[C@H](N)CC1CCCCC1 AK-54333 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.118 COC(OC)CN1CCOCC1 AK134942 [0,1,0,0,0,0|3,0,0]=4 16 B10R0.74 CCCCCCCC(NN)=O AK117029 [0,0,1,0,0,0|2,0,1]=4 17 B10R0.74 CCCCCCCC(NO)=O AK-43792 [0,0,1,0,0,0|2,0,1]=4 18 B12R2.2918 O=C1CC2(CN1)CCCNC2 AK103687 [0,0,0,1,0,0|2,0,1]=4 19 B12R2.2918 O=C1NCC2(CCCCC2)C1 AK-86397 [0,0,0,1,0,0|1,0,1]=3 20 B12R2.2918 O=C1NCC2(CCNCC2)C1 AK-64614 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.15 CC[C@@H](C1CCCCC1)N AK544253 [0,0,0,0,1,0|2,0,0]=3 22 B10R1.15 N[C@@H](C1CCCCC1)CO AK103603 [0,0,0,0,1,0|3,0,0]=4 23 B10R1.15 O=C(C1CCNCC1)NC AK130215 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.15 O=C([C@H]1CNCCC1)NC AK203541 [0,0,0,0,1,0|2,0,1]=4 25 B10R1.27 CC(NC)CC1CCCC1 AK140667 [0,0,0,0,1,0|0,0,0]=1 26 B9R0.46 CCC(C)CCCCCO AK-82137 [1,0,1,0,0,0|2,0,0]=4 27 B9R0.46 CCCCCCC(C)CO AK158822 [1,0,1,0,0,0|2,0,0]=4 28 B9R0.45 CCCCCCCCCBr AK164444 [1,0,1,0,0,0|2,0,0]=4 29 B9R1.8 BrCCN1CCCCC1 AK110576 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 C1CCN[C@H](C1)CCO AK-39809 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 CCCC1CCNCC1 AK135014 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 CCC[C@@H]1NCCCC1 AK608023 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.8 CCNC1CCOCC1 AK-49563 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 COCC1CCNCC1 AK-39216 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 COCC1NCCCC1 AK153936 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 N#CCC1CCCCC1 AK144830 [2,0,0,0,0,0|0,0,2]=4 37 B9R1.8 NCCC1CCCCC1 AK-25118 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.8 NCCC1CCOCC1 AK-84660 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NCCN1CCCCC1 AK-45168 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 NCCN1CCCCC1 AK-93384 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 NCCN1CCOCC1 AK-32557 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.8 OCC[C@@H]1NCCCC1 AK-97234 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 OCC[C@@H]1NCCCC1 AK164123 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 OCC[C@H]1NCCCC1 AK-41773 [2,0,0,0,0,0|2,0,0]=4 45 B11R0.42 CCCCCCCC(=O)N(C)C AK-87625 [0,1,1,0,0,0|1,0,1]=4 46 B11R1.28 CCNCCN1CCOCC1 AK106912 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.28 OCCCCC1CCNCC1 AK-83612 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.91 O=C(O)CCC1CCCCC1 AK116675 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.20 O=C1CCC(OC(C)C)CC1 AK-93525 [1,1,0,0,0,0|1,0,1]=4 50 B11R1.20 O=C1CCN(CC(C)C)CC1 AK-80460 [1,1,0,0,0,0|1,0,1]=4 51 B11R1.86 CN(C)CC1CCCCC1=O AK110988 [1,1,0,0,0,0|1,0,1]=4 52 B11R2.20 C1CCC2NCCCC2C1 AK-51658 [1,0,0,1,0,0|2,0,0]=4 53 B11R2.20 N12CCCCC1CNCC2 AK-23528 [1,0,0,1,0,0|1,0,0]=3 54 B11R2.1261 C1CC2(CO1)CCCNC2 AK-78366 [1,0,0,1,0,0|2,0,0]=4 55 B11R2.1261 C1CC2(CO1)CCNCC2 AK-78602 [1,0,0,1,0,0|2,0,0]=4 56 B11R2.1261 C1NCCC12CCOCC2 AK164859 [1,0,0,1,0,0|1,0,0]=3 57 B11R2.1261 C1NCCC12OCCCC2 AK130850 [1,0,0,1,0,0|1,0,0]=3 58 B11R2.1261 C1NCCC12OCCCC2 AK486918 [1,0,0,1,0,0|1,0,0]=3 59 B11R2.1261 C1OCCC12CCNCC2 AK-92298 [1,0,0,1,0,0|2,0,0]=4 60 B11R2.703 CN1CC2(CCNCC2)C1 AK144782 [1,0,0,1,0,0|2,0,0]=4 61 B13R3.3861 NC1C2CC3CC(C2)CC1C3 AK116750 [0,0,0,2,0,0|2,0,0]=4 62 B13R3.3861 O=C1C2CC3CC(C2)CC1C3 AK-45606 [0,0,0,2,0,0|2,0,0]=4 63 B9R1.6 CC(C1CCCCC1)=O AK110444 [1,0,0,0,1,0|1,0,1]=4 64 B9R1.6 CC(C1CNCCO1)C AK144757 [1,0,0,0,1,0|2,0,0]=4 65 B9R1.6 CC(C1NCCOC1)C AK102280 [1,0,0,0,1,0|2,0,0]=4 66 B9R1.6 CC(O)C1CCOCC1 AK600722 [1,0,0,0,1,0|2,0,0]=4 67 B9R1.6 CN(C)C1CCNCC1 AK146317 [1,0,0,0,1,0|2,0,0]=4 68 B9R1.6 CN(C1CCNCC1)C AK-35307 [1,0,0,0,1,0|2,0,0]=4