0 B6R0.6 CCCNCCO AIFCHEM-94577775848 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.6 CCNCCCO AIFCHEM-94537415438 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.2 CCNCCF AIFCHEM-94537421854 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.1 CCCCNCCC AIFCHEM-94569018116 [0,1,0,0,0,0|2,0,0]=3 4 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [0,1,0,0,0,0|1,0,1]=3 5 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [0,1,0,0,0,0|3,0,0]=4 7 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [0,1,0,0,0,0|3,0,0]=4 8 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [0,1,0,0,0,0|3,0,0]=4 9 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [0,1,0,0,0,0|3,0,0]=4 10 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.7 CCCNC1CC1 AIFCHEM-94573313123 [0,0,0,1,0,0|2,0,0]=3 12 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [1,1,0,0,0,0|1,0,0]=3 13 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,2,0,0,0,0|2,0,0]=4 14 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [0,2,0,0,0,0|1,1,0]=4 15 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [0,2,0,0,0,0|1,0,1]=4 16 B8R0.1 COCC(C)NCC#N AIFCHEM-94558706659 [0,2,0,0,0,0|1,0,1]=4 17 B8R0.1 COCC(C)NCCO AIFCHEM-94577779767 [0,2,0,0,0,0|0,0,0]=2 18 B8R0.4 CCNCCOCCO AIFCHEM-94537420178 [0,2,0,0,0,0|2,0,0]=4 19 B8R0.4 CCNCCSCCO AIFCHEM-94537419052 [0,2,0,0,0,0|2,0,0]=4 20 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [0,2,0,0,0,0|1,0,1]=4 21 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [0,2,0,0,0,0|2,0,0]=4 22 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,2,0,0,0,0|1,0,0]=3 23 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,2,0,0,0,0|1,0,0]=3 24 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,2,0,0,0,0|1,0,0]=3 25 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,2,0,0,0,0|2,0,0]=4 26 B8R0.6 CSCCNC(=O)CO AIFCHEM-94532684957 [0,2,0,0,0,0|0,1,1]=4 27 B8R0.7 CC(C)CNCCCO AIFCHEM-94572975411 [0,2,0,0,0,0|1,0,0]=3 28 B8R0.7 CCCCNCC(C)C AIFCHEM-94570975038 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.7 COCCNCC(C)C AIFCHEM-94572971410 [0,2,0,0,0,0|1,0,0]=3 30 B8R0.8 CC(C)C(C)NCCO AIFCHEM-94522506272 [0,2,0,0,0,0|1,0,0]=3 31 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,2,0,0,0,0|1,0,0]=3 32 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,2,0,0,0,0|1,0,1]=4 33 B8R0.9 CC(C)CNC(C)CO AIFCHEM-6145692687 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.9 CC(C)CN[C@@H](C)CO AIFCHEM-94572978911 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.9 CC(C)CN[C@H](C)CO AIFCHEM-94572979978 [0,2,0,0,0,0|1,0,0]=3 36 B8R0.9 CC(CO)NCC(F)F AIFCHEM-5987598051 [0,2,0,0,0,0|1,0,0]=3 37 B8R0.9 O=C(CO)NCC(F)F AIFCHEM-94532685749 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.11 CCCNC(CO)CO AIFCHEM-94569022033 [0,2,0,0,0,0|1,0,0]=3 39 B8R0.11 OCC(CO)NCCF AIFCHEM-94606750251 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.11 OCCNC(CO)CO AIFCHEM-94606744085 [0,2,0,0,0,0|0,0,0]=2 41 B8R0.5 CC(C)CN(C)CCO AIFCHEM-94548507073 [0,2,0,0,0,0|1,0,0]=3 42 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [0,2,0,0,0,0|1,0,0]=3 43 B8R0.21 CCCNCC(C)(C)O AIFCHEM-94569016821 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.22 CCN(CCO)CCO AIFCHEM-94537415530 [0,2,0,0,0,0|0,0,0]=2 45 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.10 N#CCNC1COC1 AIFCHEM-94558707128 [0,1,0,1,0,0|1,0,1]=4 47 B8R1.12 CCN1CC[C@@H]1CO AIFCHEM-94554359495 [0,1,0,1,0,0|2,0,0]=4 48 B8R1.12 CCN1CC[C@H]1CO AIFCHEM-94537411744 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.38 O=C(CO)N1CCC1 AIFCHEM-94532681960 [0,1,0,1,0,0|1,0,1]=4 50 B8R1.40 O=C(CO)NC1CC1 AIFCHEM-94532679178 [0,1,0,1,0,0|1,0,1]=4 51 B8R1.41 CCCNC1(CC1)C AIFCHEM-94569023712 [0,1,0,1,0,0|2,0,0]=4 52 B8R1.6 CCCN1CC(C1)F AIFCHEM-94569020674 [0,1,0,1,0,0|2,0,0]=4