0 B8R0.28 CC(=O)NCCN(C)C AIFCHEM-5916242960 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.1 CCC(=O)NCCC(C)C AIFCHEM-94526508254 [0,1,0,0,0,0|2,0,1]=4 2 B9R0.1 CCC(F)CNCC(C)C AIFCHEM-94572974343 [0,1,0,0,0,0|2,0,0]=3 3 B9R0.1 CSC(C)CCNC(C)C AIFCHEM-94520538114 [0,1,0,0,0,0|2,0,0]=3 4 B9R1.85 FC(F)CNCC1CC1 AIFCHEM-5987354701 [0,0,0,1,0,0|3,0,0]=4 5 B9R0.55 CC(=O)NCCOC(C)C AIFCHEM-6271109492 [0,0,0,0,0,1|2,0,1]=4 6 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [2,0,0,0,0,0|1,0,0]=3 7 B6R0.6 CCCNCCO AIFCHEM-94577775848 [2,0,0,0,0,0|2,0,0]=4 8 B6R0.6 CCNCCCO AIFCHEM-94537415438 [2,0,0,0,0,0|2,0,0]=4 9 B8R0.5 CC(C)CN(C)CCO AIFCHEM-94548507073 [1,1,0,0,0,0|2,0,0]=4 10 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [1,1,0,0,0,0|2,0,0]=4 11 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [1,1,0,0,0,0|2,0,0]=4 12 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [1,1,0,0,0,0|2,0,0]=4 13 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [1,1,0,0,0,0|2,0,0]=4 14 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [1,1,0,0,0,0|2,0,0]=4 15 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [1,1,0,0,0,0|2,0,0]=4 16 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [1,1,0,0,0,0|1,0,0]=3 17 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [1,1,0,0,0,0|0,0,0]=2 18 B8R0.7 CCNCCCN(C)C AIFCHEM-94537412068 [1,1,0,0,0,0|1,0,0]=3 19 B8R0.7 COCCNCC(C)C AIFCHEM-94572971410 [1,1,0,0,0,0|1,0,0]=3 20 B8R0.8 CC(C)C(C)NCCO AIFCHEM-94522506272 [1,1,0,0,0,0|2,0,0]=4 21 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [1,1,0,0,0,0|2,0,0]=4 25 B8R0.21 CCCNCC(C)(C)O AIFCHEM-94569016821 [1,1,0,0,0,0|1,0,0]=3 26 B10R0.15 CC(C)(C)CCNCC(F)F AIFCHEM-5987404617 [0,1,0,0,0,1|2,0,0]=4 27 B10R0.55 CC(CO)NCCCC(=O)N AIFCHEM-5946188092 [0,1,0,0,0,1|1,0,1]=4 28 B10R0.55 CCC(=O)NCCCC(C)C AIFCHEM-94526500064 [0,1,0,0,0,1|1,0,1]=4 29 B10R0.55 CCC(C)CNCCC(C)C AIFCHEM-6121185674 [0,1,0,0,0,1|1,0,0]=3 30 B10R0.55 CN(C)CCNCC(O)CO AIFCHEM-94564768317 [0,1,0,0,0,1|2,0,0]=4 31 B10R0.55 CN(C)CCNC[C@@H](O)CO AIFCHEM-94564768911 [0,1,0,0,0,1|2,0,0]=4 32 B10R0.55 CN(C)CCNC[C@H](O)CO AIFCHEM-94564768272 [0,1,0,0,0,1|2,0,0]=4 33 B10R0.55 COC(C)CNCCN(C)C AIFCHEM-94564769393 [0,1,0,0,0,1|2,0,0]=4 34 B10R0.55 CO[C@@H](C)CNCCN(C)C AIFCHEM-94564771653 [0,1,0,0,0,1|2,0,0]=4 35 B10R0.55 CO[C@H](C)CNCCN(C)C AIFCHEM-94564771646 [0,1,0,0,0,1|2,0,0]=4 36 B10R0.55 CSC(C)CCNCC(F)F AIFCHEM-5987649830 [0,1,0,0,0,1|2,0,0]=4 37 B10R0.96 CC(C)CCC(=O)NC(C)C AIFCHEM-94520550426 [0,1,0,0,0,1|1,0,1]=4 38 B10R0.96 CC(C)CNC(=O)CC(C)C AIFCHEM-94563731698 [0,1,0,0,0,1|1,0,1]=4 39 B10R0.96 CC(O)CNC(C)CN(C)C AIFCHEM-94558281725 [0,1,0,0,0,1|2,0,0]=4 40 B10R0.98 CC(C)CCNC(=O)C(C)O AIFCHEM-94571307470 [0,1,0,0,0,1|1,0,1]=4 41 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O AIFCHEM-6132300811 [0,1,0,0,0,1|1,0,1]=4 42 B10R0.98 CC(C)CCNC(=O)[C@H](C)O AIFCHEM-6184219537 [0,1,0,0,0,1|1,0,1]=4 43 B10R0.98 CC(C)CCNC(C)C(C)O AIFCHEM-94547072908 [0,1,0,0,0,1|1,0,0]=3 44 B10R0.98 CC(C)CCNC(C)C(F)F AIFCHEM-94548678002 [0,1,0,0,0,1|2,0,0]=4 45 B10R0.98 CC(C)CNCC(O)C(C)C AIFCHEM-94572978611 [0,1,0,0,0,1|1,0,0]=3 46 B10R0.59 CCC(C)CNCC(O)CC AIFCHEM-6457096569 [0,2,0,0,0,0|2,0,0]=4 47 B10R0.59 CCC(C)CNC[C@@H](F)CO AIFCHEM-6466258239 [0,2,0,0,0,0|2,0,0]=4 48 B10R0.59 CCC(C)CNC[C@H](F)CO AIFCHEM-94577442319 [0,2,0,0,0,0|2,0,0]=4 49 B10R0.59 CCC(C)CNC[C@H](O)CC AIFCHEM-6462673825 [0,2,0,0,0,0|2,0,0]=4 50 B10R0.59 CSC(C)CCNC(C)CO AIFCHEM-6411463577 [0,2,0,0,0,0|2,0,0]=4 51 B10R0.59 CSC(C)CCN[C@@H](C)CO AIFCHEM-6446577392 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.59 CSC(C)CCN[C@H](C)CO AIFCHEM-6477289250 [0,2,0,0,0,0|2,0,0]=4 53 B10R0.60 CCC(C)CNCC(C)(C)C AIFCHEM-5977695150 [0,2,0,0,0,0|2,0,0]=4 54 B10R0.60 CSC(C)CCNC(C)(C)C AIFCHEM-94589404285 [0,2,0,0,0,0|2,0,0]=4 55 B10R0.77 CC(O)CCNC(CO)CO AIFCHEM-94577738469 [0,2,0,0,0,0|2,0,0]=4 56 B10R0.77 CCC(CC)NCCC(C)C AIFCHEM-94538329637 [0,2,0,0,0,0|2,0,0]=4 57 B10R0.77 CCC(CC)NCCC(C)O AIFCHEM-94538328175 [0,2,0,0,0,0|2,0,0]=4 58 B10R0.77 CCC(CC)NCC[C@H](C)O AIFCHEM-94538320883 [0,2,0,0,0,0|2,0,0]=4 59 B10R0.77 C[C@H](O)CCNC(CO)CO AIFCHEM-94606735840 [0,2,0,0,0,0|2,0,0]=4 60 B10R0.82 CC(CO)CNC(C)C(C)C AIFCHEM-94522504485 [0,2,0,0,0,0|2,0,0]=4 61 B10R0.82 CSC(C)CCN(C)C(C)C AIFCHEM-94547937063 [0,2,0,0,0,0|2,0,0]=4 62 B10R0.31 CC(C)CN(C)CC(C)(C)C AIFCHEM-94572979470 [0,2,0,0,0,0|2,0,0]=4 63 B8R1.6 CCCN1CC(C1)F AIFCHEM-94569020674 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.6 CCNC1CC(C1)F AIFCHEM-94537414225 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.6 CCN[C@H]1C[C@@H](C1)F AIFCHEM-94537415214 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.6 CCN[C@H]1C[C@H](C1)F AIFCHEM-94537415213 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [1,0,0,1,0,0|1,0,0]=3 68 B10R1.73 CC(C)CNC[C@@H]1C[C@H]1C AIFCHEM-94572976968 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.82 CC(C)CNC1CC(C1)F AIFCHEM-94572973562 [0,0,0,1,0,1|1,0,0]=3 70 B10R1.82 CC(C)CN[C@H]1C[C@@H](C1)F AIFCHEM-94572974551 [0,0,0,1,0,1|1,0,0]=3 71 B10R1.82 CC(C)CN[C@H]1C[C@H](C1)F AIFCHEM-94572974550 [0,0,0,1,0,1|1,0,0]=3 72 B10R1.82 CN(C)CCN1CC(C1)F AIFCHEM-94564768335 [0,0,0,1,0,1|2,0,0]=4 73 B10R1.82 CN(C)CCN1CC(C1)O AIFCHEM-94597185760 [0,0,0,1,0,1|2,0,0]=4 74 B10R1.126 FC(F)CCNCC1CC1 AIFCHEM-6212277398 [0,0,0,1,0,1|2,0,0]=4 75 B10R1.127 CC(C)CCNC1CCC1 AIFCHEM-94576054914 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.150 CC(CO)NC1CC(C1)F AIFCHEM-6107750294 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.150 CC(CO)N[C@H]1C[C@@H](C1)F AIFCHEM-5890343902 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.150 CC(CO)N[C@H]1C[C@H](C1)F AIFCHEM-5947472903 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.150 CC1CN(C1)CC(O)CO AIFCHEM-5907536744 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.150 CC1CN(C1)C[C@H](O)CO AIFCHEM-94590570229 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.168 CC(C)CN1CC(C1)CF AIFCHEM-94572975798 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.168 CSC1CN(C1)CC(C)C AIFCHEM-94572974655 [0,1,0,1,0,0|2,0,0]=4 83 B10R1.197 CCN1CCCC(CC1)F AIFCHEM-94537414919 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.190 CC(O)C(C)N[C@@H]1C[C@H]1C AIFCHEM-94559009547 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.205 CC(O)C(C)NCC1CC1 AIFCHEM-94547075055 [0,1,0,1,0,0|2,0,0]=4 86 B10R1.211 CC(C)CNC(C)C1CC1 AIFCHEM-6122796750 [0,1,0,1,0,0|2,0,0]=4 87 B10R1.211 CC(C)CN[C@@H](C)C1CC1 AIFCHEM-94572976283 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.211 CC(C)CN[C@H](C)C1CC1 AIFCHEM-94572976975 [0,1,0,1,0,0|2,0,0]=4 89 B10R1.112 CC(C)(C)NC1CC(C1)O AIFCHEM-94589404172 [0,1,0,1,0,0|2,0,0]=4 90 B10R2.75 C[C@@H]1C[C@H]1NCC2CC2 AIFCHEM-94559006861 [0,0,0,2,0,0|2,0,0]=4 91 B10R0.97 CC(C)CCCNCC(C)C AIFCHEM-94572971938 [0,0,0,0,0,2|1,0,0]=3