0 B9R1.6 CC(=O)N1CC=CCC1 AIFCHEM-94605348043 [0,0,0,0,0,0|2,0,2]=4 1 B10R1.13 CC(=O)N1CCC(CC1)C AIFCHEM-94535598171 [0,1,0,0,0,0|2,0,0]=3 2 B10R1.15 O=C(CO)N1CCCOC1 AIFCHEM-94532677753 [0,1,0,0,0,0|2,0,0]=3 3 B10R1.61 CC(=O)N1CCCC[C@@H]1C AIFCHEM-5890381224 [0,1,0,0,0,0|2,0,0]=3 4 B10R1.61 CC(=O)N1CCCC[C@H]1C AIFCHEM-5769330335 [0,1,0,0,0,0|2,0,0]=3 5 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [0,0,1,0,0,0|3,0,0]=4 6 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [0,0,1,0,0,0|3,0,0]=4 7 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,0,1,0,0,0|2,0,1]=4 8 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [0,0,1,0,0,0|2,0,0]=3 9 B8R0.15 CCN(CCF)C(=O)C AIFCHEM-94685342984 [0,0,1,0,0,0|3,0,0]=4 10 B8R0.15 CCN[C@@H](CC)[C@@H](C)O AIFCHEM-94537421997 [0,0,1,0,0,0|2,0,1]=4 11 B8R1.7 CC(=O)N1CCSC1 AIFCHEM-5599280756 [0,0,0,0,1,0|3,0,0]=4 12 B10R1.18 CC(=O)NC1CC=CCC1 AIFCHEM-94605350304 [0,0,0,0,0,1|1,0,2]=4 13 B10R1.18 CC(=O)NC1CCCOC1 AIFCHEM-94605355363 [0,0,0,0,0,1|2,0,0]=3 14 B10R1.18 CC(=O)NC1CCSCC1 AIFCHEM-94535594005 [0,0,0,0,0,1|2,0,0]=3 15 B10R1.18 CC(=O)N[C@@H]1CCCOC1 AIFCHEM-94588276124 [0,0,0,0,0,1|2,0,0]=3 16 B10R1.18 CC(=O)N[C@H]1CCCOC1 AIFCHEM-94535590147 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.348 CC(=O)N1CCCOCC1 AIFCHEM-94553873278 [0,0,0,0,0,1|2,0,0]=3 18 B7R0.5 CCNC(C)C(=O)N AIFCHEM-94537421902 [1,0,1,0,0,0|2,0,0]=4 19 B7R0.5 CCNC(C)C(=O)O AIFCHEM-94537419943 [1,0,1,0,0,0|1,0,0]=3 20 B7R0.5 CCN[C@@H](C)C(=O)N AIFCHEM-94537424903 [1,0,1,0,0,0|2,0,0]=4 21 B7R0.5 CCN[C@@H](C)C(=O)O AIFCHEM-94576654329 [1,0,1,0,0,0|1,0,0]=3 22 B7R0.5 CCN[C@H](C)C(=O)N AIFCHEM-94537424731 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.5 CCN[C@H](C)C(=O)O AIFCHEM-94537420413 [1,0,1,0,0,0|1,0,0]=3 24 B7R0.12 CCNC(CC)CO AIFCHEM-94537427642 [1,0,1,0,0,0|1,0,1]=4 25 B7R0.12 CCN[C@@H](CC)CO AIFCHEM-94537423216 [1,0,1,0,0,0|1,0,1]=4 26 B7R0.12 CCN[C@H](CC)CO AIFCHEM-94537423217 [1,0,1,0,0,0|1,0,1]=4 27 B9R0.1 CC(CO)NCCC(=O)O AIFCHEM-5885922854 [0,1,1,0,0,0|2,0,0]=4 28 B9R0.2 CCCNCCCC(=O)O AIFCHEM-94569019960 [0,1,1,0,0,0|0,0,0]=2 29 B9R0.2 CCCNCCNC(=O)N AIFCHEM-94569014729 [0,1,1,0,0,0|2,0,0]=4 30 B9R0.2 CCCNCCOC(=O)C AIFCHEM-94569015165 [0,1,1,0,0,0|2,0,0]=4 31 B9R0.2 CCNCCCNC(=O)C AIFCHEM-94537421360 [0,1,1,0,0,0|2,0,0]=4 32 B9R0.2 CCNCCOCC(=O)O AIFCHEM-94537411644 [0,1,1,0,0,0|1,0,0]=3 33 B9R0.2 CCNCCSCC(=O)O AIFCHEM-94535042891 [0,1,1,0,0,0|1,0,0]=3 34 B9R0.2 CCOCCCNC(=O)C AIFCHEM-94535598214 [0,1,1,0,0,0|2,0,0]=4 35 B9R0.38 CCNCCCS(=O)(=O)O AIFCHEM-94537420840 [0,1,1,0,0,0|2,0,0]=4 36 B9R0.46 CCCCCNC(=O)CO AIFCHEM-94532685258 [0,1,1,0,0,0|1,0,0]=3 37 B9R0.46 CCOCCNC(=O)CO AIFCHEM-94548617327 [0,1,1,0,0,0|2,0,0]=4 38 B9R0.47 CCCCN[C@@H](C)C(=O)O AIFCHEM-94523039192 [0,1,1,0,0,0|1,0,0]=3 39 B9R0.47 CCCCN[C@H](C)C(=O)O AIFCHEM-94523036726 [0,1,1,0,0,0|1,0,0]=3 40 B9R0.7 CC(C)CN[C@@H](C)C(=O)O AIFCHEM-94572982216 [0,1,1,0,0,0|1,0,0]=3 41 B9R0.7 CC(C)CN[C@H](C)C(=O)O AIFCHEM-94572979750 [0,1,1,0,0,0|1,0,0]=3 42 B9R0.13 CCCNC(CC)C(=O)O AIFCHEM-94569016786 [0,1,1,0,0,0|1,0,0]=3 43 B9R0.13 CCCNC(CO)C(=O)O AIFCHEM-94569017027 [0,1,1,0,0,0|1,0,0]=3 44 B9R0.13 CCCN[C@@H](CC)C(=O)O AIFCHEM-94569020414 [0,1,1,0,0,0|1,0,0]=3 45 B9R0.13 CCCN[C@@H](CO)C(=O)O AIFCHEM-94569013545 [0,1,1,0,0,0|1,0,0]=3 46 B9R0.13 CCCN[C@H](CC)C(=O)O AIFCHEM-94569016473 [0,1,1,0,0,0|1,0,0]=3 47 B9R0.13 CCCN[C@H](CO)C(=O)O AIFCHEM-94569017139 [0,1,1,0,0,0|1,0,0]=3 48 B9R0.12 C#CC(=O)N(CC)CCC AIFCHEM-96332647141 [0,1,1,0,0,0|2,0,0]=4 49 B9R0.12 CCCN(CC)C(=O)CC AIFCHEM-95157574285 [0,1,1,0,0,0|2,0,0]=4 50 B9R0.12 CCCN(CC)C(=O)CO AIFCHEM-97888407121 [0,1,1,0,0,0|1,0,0]=3 51 B9R0.12 CCN(CCF)C(=O)CO AIFCHEM-97888441077 [0,1,1,0,0,0|2,0,0]=4 52 B9R0.12 CCNC(CC)C(=O)OC AIFCHEM-94537425270 [0,1,1,0,0,0|1,0,0]=3 53 B9R0.12 CCN[C@@H](CC)C(=O)OC AIFCHEM-94537422943 [0,1,1,0,0,0|1,0,0]=3 54 B9R0.12 CCN[C@H](CC)C(=O)OC AIFCHEM-94537426061 [0,1,1,0,0,0|1,0,0]=3 55 B9R0.15 CCNC(CSC)C(=O)O AIFCHEM-94537425325 [0,1,1,0,0,0|1,0,0]=3 56 B9R0.15 CCN[C@@H](CSC)C(=O)O AIFCHEM-94537412877 [0,1,1,0,0,0|1,0,0]=3 57 B9R0.33 CCN[C@@H](C(=O)N)C(C)C AIFCHEM-94537414529 [0,1,1,0,0,0|2,0,0]=4 58 B9R0.33 CCN[C@H](C(=O)N)C(C)C AIFCHEM-94537419939 [0,1,1,0,0,0|2,0,0]=4 59 B9R1.8 CCNC1CCCCC1 AIFCHEM-94537419387 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.40 O=C(CO)NC1CCCOC1 AIFCHEM-94532684792 [0,1,0,0,0,1|1,0,0]=3 61 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 AIFCHEM-94532676794 [0,1,0,0,0,1|1,0,0]=3 62 B11R1.40 O=C(CO)N[C@H]1CCCOC1 AIFCHEM-6136630525 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1F AIFCHEM-94605355983 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.157 CC(=O)NC1CCCN(C1)C AIFCHEM-94605357313 [0,1,0,0,0,1|2,0,0]=4 65 B11R1.157 CC(=O)N[C@@H]1CCCN(C1)C AIFCHEM-94605335337 [0,1,0,0,0,1|2,0,0]=4 66 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C AIFCHEM-6024056835 [0,1,0,0,0,1|2,0,0]=4 67 B11R1.22 C#CC(=O)N1CCC(CC1)C AIFCHEM-94525200646 [0,2,0,0,0,0|2,0,0]=4 68 B11R1.22 CCC(=O)N1CCC(CC1)F AIFCHEM-94526508591 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.16 CN(CCO)C1CCCCC1 AIFCHEM-94548501713 [0,2,0,0,0,0|2,0,0]=4 70 B11R1.16 O=C(CCO)N1CCSCC1 AIFCHEM-94541234957 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.266 CCN1CCCC(C1)C(=O)O AIFCHEM-94537422078 [0,2,0,0,0,0|1,0,0]=3 72 B11R1.266 CCN1CCC[C@@H](C1)C(=O)O AIFCHEM-94537423266 [0,2,0,0,0,0|1,0,0]=3 73 B11R1.266 CCN1CCC[C@H](C1)C(=O)O AIFCHEM-94537426543 [0,2,0,0,0,0|1,0,0]=3 74 B11R1.730 CC(=O)N1CCCC(C1)(C)C AIFCHEM-94567078591 [0,2,0,0,0,0|2,0,0]=4 75 B9R1.96 CCN1CC[C@H]1C(=O)N AIFCHEM-94567088427 [0,0,1,1,0,0|2,0,0]=4 76 B9R1.116 CCN(C(=O)C)C1CC1 AIFCHEM-6047239039 [0,0,1,1,0,0|2,0,0]=4 77 B9R0.14 CCCN(CC)CC(=O)O AIFCHEM-94537424498 [0,0,1,0,0,1|1,0,0]=3 78 B9R0.14 CCNC(CC)CC(=O)O AIFCHEM-94537417368 [0,0,1,0,0,1|1,0,0]=3 79 B9R0.14 CCN[C@@H](CC)CC(=O)O AIFCHEM-94537417981 [0,0,1,0,0,1|1,0,0]=3 80 B11R1.91 CC(=O)NCC1CCCCO1 AIFCHEM-94535598550 [0,0,0,0,0,2|2,0,0]=4 81 B11R1.91 CC(=O)NCC1CCOCC1 AIFCHEM-5666836565 [0,0,0,0,0,2|2,0,0]=4