0 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.1 CCNCCSCC AIFCHEM-94537422686 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CCCNCCO AIFCHEM-94577775848 [1,0,0,0,0,0|1,0,1]=3 3 B6R0.6 CCNCCCO AIFCHEM-94537415438 [1,0,0,0,0,0|1,0,0]=2 4 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,1,0,0,0,0|1,0,1]=3 6 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,1,0,0,0,0|1,0,1]=3 7 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,1,0,0,0,0|1,0,1]=3 9 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,1,0,0,0,0|1,0,1]=3 10 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,1,0,0,0,0|1,0,1]=3 11 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [0,1,0,0,0,0|1,0,1]=3 13 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [0,1,0,0,0,0|2,0,1]=4 14 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [0,0,0,1,0,0|1,0,1]=3 18 B5R0.2 CCNCCF AIFCHEM-94537421854 [2,0,0,0,0,0|2,0,0]=4 19 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [1,1,0,0,0,0|2,0,0]=4 20 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [1,1,0,0,0,0|1,0,0]=3 21 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [1,1,0,0,0,0|1,0,0]=3 22 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [1,1,0,0,0,0|1,0,0]=3 23 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [1,1,0,0,0,0|1,0,0]=3 24 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [1,1,0,0,0,0|1,0,0]=3 25 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [1,1,0,0,0,0|1,0,0]=3 26 B9R0.5 CC(CCO)NCCCO AIFCHEM-6437893299 [0,2,0,0,0,0|1,0,1]=4 27 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,2,0,0,0,0|0,0,2]=4 28 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [0,2,0,0,0,0|0,0,2]=4 29 B9R0.5 CCNCCC(=O)OCC AIFCHEM-94537421553 [0,2,0,0,0,0|2,0,0]=4 30 B9R0.5 CSCCNC(C)CCO AIFCHEM-94598923201 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.18 CCCCC(=O)NCCC AIFCHEM-94534100132 [0,2,0,0,0,0|1,0,1]=4 32 B9R0.18 CCCCC(=O)NCCF AIFCHEM-94534108252 [0,2,0,0,0,0|2,0,0]=4 33 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,2,0,0,0,0|0,0,2]=4 34 B9R0.34 CCCC(C)NC(=O)CC AIFCHEM-94560484547 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.34 CCC[C@@H](C)NC(=O)CC AIFCHEM-94526499031 [0,2,0,0,0,0|2,0,0]=4 36 B9R0.34 CCC[C@H](C)NC(=O)CC AIFCHEM-94526504854 [0,2,0,0,0,0|2,0,0]=4 37 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,2,0,0,0,0|1,0,1]=4 38 B9R0.2 COCCCNCC(C)C AIFCHEM-94572976670 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,2,0,0,0,0|0,0,2]=4 40 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [0,2,0,0,0,0|1,0,1]=4 41 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,2,0,0,0,0|0,0,2]=4 42 B9R0.45 OCCNCCOCCO AIFCHEM-94577777063 [0,2,0,0,0,0|1,0,1]=4 43 B9R0.46 CC(CO)NCCCCO AIFCHEM-6488294961 [0,2,0,0,0,0|1,0,1]=4 44 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,2,0,0,0,0|0,0,2]=4 45 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,2,0,0,0,0|0,0,2]=4 46 B9R0.46 CSCCNCC(O)CO AIFCHEM-5882350300 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.46 CSCCNC[C@H](O)CO AIFCHEM-94590560241 [0,2,0,0,0,0|1,0,1]=4 48 B9R0.1 CCC(=O)NCCC(C)C AIFCHEM-94526508254 [0,2,0,0,0,0|2,0,0]=4 49 B9R0.47 CC(O)C(C)NCCCO AIFCHEM-94547066325 [0,2,0,0,0,0|1,0,1]=4 50 B7R1.5 CCNC1CC1F AIFCHEM-94597362816 [1,0,0,1,0,0|2,0,0]=4 51 B7R1.5 CCN[C@@H]1C[C@@H]1F AIFCHEM-94537415225 [1,0,0,1,0,0|2,0,0]=4 52 B7R1.5 CCN[C@@H]1C[C@H]1C AIFCHEM-94559010888 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.5 CCN[C@@H]1C[C@H]1F AIFCHEM-94537412393 [1,0,0,1,0,0|2,0,0]=4 54 B7R1.5 CCN[C@H]1C[C@@H]1F AIFCHEM-94537416447 [1,0,0,1,0,0|2,0,0]=4 55 B7R1.5 CCN[C@H]1C[C@H]1F AIFCHEM-94537415224 [1,0,0,1,0,0|2,0,0]=4 56 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [1,0,0,1,0,0|1,0,1]=4 57 B9R1.7 CCNC1CCC(C1)O AIFCHEM-94537412824 [0,1,0,1,0,0|1,0,1]=4 58 B9R1.7 CCN[C@@H]1CC[C@@H](C1)O AIFCHEM-94537413980 [0,1,0,1,0,0|1,0,1]=4 59 B9R1.7 CCN[C@@H]1CC[C@H](C1)O AIFCHEM-94571556877 [0,1,0,1,0,0|1,0,1]=4 60 B9R1.7 CCN[C@H]1CC[C@@H](C1)O AIFCHEM-94537415911 [0,1,0,1,0,0|1,0,1]=4 61 B9R1.7 CCN[C@H]1CC[C@H](C1)O AIFCHEM-94537414200 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [0,1,0,1,0,0|0,0,2]=4 63 B9R1.75 CC(CCO)NC1CC1 AIFCHEM-94573317059 [0,1,0,1,0,0|1,0,1]=4 64 B9R1.17 OCCCNC1COC1 AIFCHEM-94523165321 [0,1,0,1,0,0|1,0,1]=4 65 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,1,0,1,0,0|0,0,2]=4