0 B5R0.2 CCNCCF AIFCHEM-94537421854 [1,0,0,0,0,0|2,0,0]=3 1 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [0,1,0,0,0,0|1,0,0]=2 2 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [0,1,0,0,0,0|1,0,0]=2 3 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [0,1,0,0,0,0|1,0,2]=4 4 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [0,1,0,0,0,0|1,0,2]=4 5 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.5 CCN[C@H](C)C(C)C AIFCHEM-94576822751 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.7 CCNC(C)CCO AIFCHEM-94537419746 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.7 CCN[C@@H](C)CCO AIFCHEM-94537423556 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.7 CCN[C@H](C)CCO AIFCHEM-94537423557 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.10 C#CC(=O)N(C)CC AIFCHEM-94525200613 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.12 CCN(CC)CCO AIFCHEM-94537412135 [0,1,0,0,0,0|3,0,0]=4 12 B7R0.12 CCNC(CC)CC AIFCHEM-94537423572 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.12 CCNC(CC)CO AIFCHEM-94537427642 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.12 CCN[C@@H](CC)CO AIFCHEM-94537423216 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.12 CCN[C@H](CC)CO AIFCHEM-94537423217 [0,1,0,0,0,0|1,0,2]=4 16 B7R1.5 CCN[C@@H]1C[C@H]1C AIFCHEM-94559010888 [0,0,0,1,0,0|2,0,1]=4 17 B7R1.10 CCN1CC(C1)C AIFCHEM-94537427297 [0,0,0,1,0,0|2,0,0]=3 18 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [1,1,0,0,0,0|1,0,1]=4 19 B6R0.6 CCCNCCO AIFCHEM-94577775848 [1,1,0,0,0,0|1,0,0]=3 20 B6R0.6 CCNCCCO AIFCHEM-94537415438 [1,1,0,0,0,0|1,0,0]=3 21 B8R0.2 CCN(C)C(=O)C(C)O AIFCHEM-94540233695 [0,2,0,0,0,0|1,0,0]=3 22 B8R0.2 CCN(C)C(=O)[C@@H](C)O AIFCHEM-6173227947 [0,2,0,0,0,0|1,0,0]=3 23 B8R0.2 CCN(C)C(=O)[C@H](C)O AIFCHEM-6125863709 [0,2,0,0,0,0|1,0,0]=3 24 B8R0.5 CC(C)CN(C)CCO AIFCHEM-94548507073 [0,2,0,0,0,0|2,0,0]=4 25 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [0,2,0,0,0,0|2,0,0]=4 26 B8R0.5 COCC(=O)NC(C)C AIFCHEM-94520550271 [0,2,0,0,0,0|1,0,0]=3 27 B8R0.5 CSCC(=O)NC(C)C AIFCHEM-94520547347 [0,2,0,0,0,0|1,0,0]=3 28 B8R0.16 CCN(CC)C[C@H](C)O AIFCHEM-94537424757 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.19 CCC(C)CN(C)CC AIFCHEM-94563261342 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.19 CCN(C)CC(=O)NC AIFCHEM-94537421740 [0,2,0,0,0,0|1,0,0]=3 31 B8R0.19 CCN(C)CC(=O)OC AIFCHEM-94537414707 [0,2,0,0,0,0|1,0,0]=3 32 B8R0.24 CCN(C)CC(C)(C)O AIFCHEM-94537424326 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.1 C#CCNC(=O)COC AIFCHEM-6221566151 [0,2,0,0,0,0|0,0,2]=4 34 B8R0.1 CC#CC(=O)NCCF AIFCHEM-5800826261 [0,2,0,0,0,0|0,0,2]=4 35 B8R0.1 CCCCN(C)CCC AIFCHEM-94523040043 [0,2,0,0,0,0|2,0,0]=4 36 B8R0.1 CCCN(C)CCSC AIFCHEM-94607179096 [0,2,0,0,0,0|2,0,0]=4 37 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [0,2,0,0,0,0|0,0,0]=2 38 B8R0.3 C#CCC(=O)N(C)CC AIFCHEM-94563265685 [0,2,0,0,0,0|0,0,2]=4 39 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [0,2,0,0,0,0|0,0,0]=2 40 B8R0.6 CCC(C)CNCCF AIFCHEM-5871243420 [0,2,0,0,0,0|1,0,1]=4 41 B8R0.6 CCN(C)CCCCO AIFCHEM-94537421494 [0,2,0,0,0,0|2,0,0]=4 42 B8R0.6 CSCCNC(=O)CO AIFCHEM-94532684957 [0,2,0,0,0,0|1,0,0]=3 43 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.9 CNC(=O)CNC(=O)C AIFCHEM-94605353566 [0,2,0,0,0,0|1,0,1]=4 46 B8R0.9 O=C(CO)NCC(F)F AIFCHEM-94532685749 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.15 CCN(CCF)C(=O)C AIFCHEM-94685342984 [0,2,0,0,0,0|2,0,0]=4 49 B8R0.22 CCC[C@@H](CO)NCC AIFCHEM-94607957860 [0,2,0,0,0,0|0,0,2]=4 50 B8R0.22 CCC[C@H](CO)NCC AIFCHEM-94537425599 [0,2,0,0,0,0|0,0,2]=4 51 B8R1.40 C#CC(=O)NC1CC1 AIFCHEM-94525195526 [0,1,0,1,0,0|0,0,2]=4 52 B8R1.40 O=C(CO)NC1CC1 AIFCHEM-94532679178 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.9 CCNC[C@@H]1C[C@H]1C AIFCHEM-94537417631 [0,1,0,1,0,0|1,0,1]=4 54 B8R1.10 CCCNC1CCC1 AIFCHEM-94576044199 [0,1,0,1,0,0|1,0,1]=4 55 B8R1.38 CCN(C)C1COC1 AIFCHEM-6097848012 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.38 O=C(CO)N1CCC1 AIFCHEM-94532681960 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.41 CCCNC1(CC1)C AIFCHEM-94569023712 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.6 CCCN1CC(C1)F AIFCHEM-94569020674 [0,1,0,1,0,0|2,0,0]=4