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|1,0,1]=3 4 B8R0.1 CCCCN(C)CC#N AIFCHEM-94523035626 [0,1,0,0,0,0|2,0,1]=4 5 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,1,0,0,0,0|2,0,1]=4 6 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,1,0,0,0,0|1,0,2]=4 8 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,1,0,0,0,0|1,0,2]=4 9 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,1,0,0,0,0|1,0,2]=4 11 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,1,0,0,0,0|1,0,2]=4 12 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [0,1,0,0,0,0|1,0,2]=4 15 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.7 CCNCCCN(C)C AIFCHEM-94537412068 [0,1,0,0,0,0|3,0,0]=4 17 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [0,1,0,0,0,0|2,0,0]=3 18 B8R0.7 COCCNCC(C)C AIFCHEM-94572971410 [0,1,0,0,0,0|3,0,0]=4 19 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [0,1,0,0,0,0|2,0,0]=3 20 B8R1.8 CCNC1CCOC1 AIFCHEM-94537426578 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.8 CCN[C@@H]1CCOC1 AIFCHEM-94537412237 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.8 CCN[C@H]1CCOC1 AIFCHEM-94585471465 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [0,0,0,1,0,0|1,0,2]=4 26 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [0,0,0,1,0,0|1,0,2]=4 27 B5R0.2 CCNCCF AIFCHEM-94537421854 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [1,1,0,0,0,0|1,0,1]=4 30 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [1,1,0,0,0,0|1,0,1]=4 31 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [1,1,0,0,0,0|1,0,1]=4 32 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [1,1,0,0,0,0|1,0,1]=4 33 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [1,1,0,0,0,0|1,0,1]=4 34 B9R0.5 CC(CCO)NCOC=O AIFCHEM-94595107777 [0,2,0,0,0,0|2,0,0]=4 35 B9R0.5 CCCC(C)NCCCO AIFCHEM-94606112170 [0,2,0,0,0,0|0,0,2]=4 36 B9R0.5 CCCCCN(C)CCO AIFCHEM-94551423596 [0,2,0,0,0,0|0,0,2]=4 37 B9R0.18 CCNC[C@H](C)CCCO AIFCHEM-94537418110 [0,2,0,0,0,0|0,0,2]=4 38 B9R0.2 CCCCCNCC(C)C AIFCHEM-94563719037 [0,2,0,0,0,0|1,0,1]=4 39 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,2,0,0,0,0|0,0,0]=2 40 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,2,0,0,0,0|1,0,0]=3 41 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,2,0,0,0,0|1,0,0]=3 42 B9R0.2 CCNCCCCN(C)C AIFCHEM-94537420638 [0,2,0,0,0,0|2,0,0]=4 43 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,2,0,0,0,0|1,0,0]=3 44 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [0,2,0,0,0,0|1,0,0]=3 45 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [0,2,0,0,0,0|1,0,0]=3 46 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,2,0,0,0,0|1,0,0]=3 47 B9R0.2 COCCCNCC(C)C AIFCHEM-94572976670 [0,2,0,0,0,0|2,0,0]=4 48 B9R0.45 CCCCCNCCCC AIFCHEM-94522650615 [0,2,0,0,0,0|1,0,1]=4 49 B9R0.45 CCNCCCOCCO AIFCHEM-94537427775 [0,2,0,0,0,0|0,0,2]=4 50 B9R0.45 CCNCCOCCOC AIFCHEM-94537420107 [0,2,0,0,0,0|2,0,0]=4 51 B9R0.45 CSCCCNCCCO AIFCHEM-94546176663 [0,2,0,0,0,0|0,0,2]=4 52 B9R0.45 CSCCCNCCSC AIFCHEM-94546185745 [0,2,0,0,0,0|2,0,0]=4 53 B9R0.45 N#CCNCCCCCO AIFCHEM-94558705814 [0,2,0,0,0,0|1,0,1]=4 54 B9R0.46 CCC(C)CNCCCO AIFCHEM-6421321424 [0,2,0,0,0,0|0,0,2]=4 55 B9R0.46 CCC(C)CNCCSC AIFCHEM-94598925025 [0,2,0,0,0,0|2,0,0]=4 56 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.46 CCCCNCC(C)OC AIFCHEM-94523040962 [0,2,0,0,0,0|2,0,0]=4 58 B9R0.46 CCCCNC[C@@H](C)OC AIFCHEM-94608836381 [0,2,0,0,0,0|2,0,0]=4 59 B9R0.46 CCCCNC[C@H](C)OC AIFCHEM-94523043222 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.46 CCCNCCC(C)CO AIFCHEM-94569018822 [0,2,0,0,0,0|0,0,2]=4 61 B9R0.46 CCOCCNC(=O)CO AIFCHEM-94548617327 [0,2,0,0,0,0|2,0,0]=4 62 B9R0.1 CC(CO)NCCC(=O)O AIFCHEM-5885922854 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.47 CCCCN[C@@H](C)C(=O)O AIFCHEM-94523039192 [0,2,0,0,0,0|1,0,0]=3 64 B9R0.47 CCCCN[C@H](C)C(=O)O AIFCHEM-94523036726 [0,2,0,0,0,0|1,0,0]=3 65 B9R0.38 CCNCCCS(=O)(=O)O AIFCHEM-94537420840 [0,2,0,0,0,0|2,0,0]=4 66 B9R0.55 CC(=O)NCCOC(C)C AIFCHEM-6271109492 [0,2,0,0,0,0|2,0,0]=4 67 B7R1.5 CCNC1CC1F AIFCHEM-94597362816 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.5 CCN[C@@H]1C[C@@H]1F AIFCHEM-94537415225 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.5 CCN[C@@H]1C[C@H]1C AIFCHEM-94559010888 [1,0,0,1,0,0|1,0,1]=4 70 B7R1.5 CCN[C@@H]1C[C@H]1F AIFCHEM-94537412393 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.5 CCN[C@H]1C[C@@H]1F AIFCHEM-94537416447 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.5 CCN[C@H]1C[C@H]1F AIFCHEM-94537415224 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [1,0,0,1,0,0|1,0,1]=4 74 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [0,1,0,1,0,0|1,0,1]=4 75 B9R1.12 OCCNC1CCCC1 AIFCHEM-94577775719 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.33 CCCN1CCCC1C AIFCHEM-94569019823 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.33 CCCN1CCC[C@@H]1C AIFCHEM-94569013885 [0,1,0,1,0,0|1,0,1]=4 78 B9R1.33 CCCN1CCC[C@H]1C AIFCHEM-94548508901 [0,1,0,1,0,0|1,0,1]=4 79 B9R1.14 CCC1CCCN1CC AIFCHEM-94537424244 [0,1,0,1,0,0|1,0,1]=4 80 B9R1.16 CCCCNC1CC1F AIFCHEM-94523030738 [0,1,0,1,0,0|1,0,1]=4 81 B9R1.16 CCCCN[C@@H]1C[C@@H]1F AIFCHEM-94523031538 [0,1,0,1,0,0|1,0,1]=4 82 B9R1.16 CCCCN[C@@H]1C[C@H]1F AIFCHEM-94523028706 [0,1,0,1,0,0|1,0,1]=4 83 B9R1.16 CCCCN[C@H]1C[C@@H]1F AIFCHEM-94523032760 [0,1,0,1,0,0|1,0,1]=4 84 B9R1.16 CCCCN[C@H]1C[C@H]1F AIFCHEM-94523031537 [0,1,0,1,0,0|1,0,1]=4 85 B9R1.16 CCCNC[C@@H]1C[C@H]1C AIFCHEM-94599414203 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.17 COCCNC1CCC1 AIFCHEM-94576044330 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.17 O=COCNC1CCC1 AIFCHEM-94576055850 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.17 O=COCNC1COC1 AIFCHEM-94595108229 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.39 CCCN[C@@H]1CC[C@H]1O AIFCHEM-94569013357 [0,1,0,1,0,0|0,0,2]=4 90 B9R1.96 CCN1CC[C@H]1C(=O)N AIFCHEM-94567088427 [0,1,0,1,0,0|1,0,0]=3