0 B6R0.4 CCNCC(C)C AIFCHEM-94537422162 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 CCNCCF AIFCHEM-94537421854 [1,0,0,0,0,0|2,0,1]=4 2 B7R0.2 CCN(C)CC(=O)O AIFCHEM-94537423902 [0,1,0,0,0,0|1,0,0]=2 3 B7R0.3 CCCNC(=O)CO AIFCHEM-94532683616 [0,1,0,0,0,0|1,0,0]=2 4 B7R0.3 CCNCC(=O)NC AIFCHEM-94562545297 [0,1,0,0,0,0|2,0,0]=3 5 B7R0.3 CCNCC(O)CO AIFCHEM-94537423573 [0,1,0,0,0,0|1,0,2]=4 6 B7R0.3 CCNC[C@@H](O)CO AIFCHEM-94537424167 [0,1,0,0,0,0|1,0,2]=4 7 B7R0.3 CCNC[C@H](O)CO AIFCHEM-94537423528 [0,1,0,0,0,0|1,0,2]=4 8 B7R0.4 CC(=O)NCCC#N AIFCHEM-94605345768 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.5 CCNC(C)C(=O)N AIFCHEM-94537421902 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.5 CCNC(C)C(=O)O AIFCHEM-94537419943 [0,1,0,0,0,0|1,0,0]=2 11 B7R0.5 CCN[C@@H](C)C(=O)N AIFCHEM-94537424903 [0,1,0,0,0,0|2,0,0]=3 12 B7R0.5 CCN[C@@H](C)C(=O)O AIFCHEM-94576654329 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.5 CCN[C@H](C)C(=O)N AIFCHEM-94537424731 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.5 CCN[C@H](C)C(=O)O AIFCHEM-94537420413 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.20 CC(=O)NC1CC1 AIFCHEM-6145357787 [0,0,0,1,0,0|2,0,0]=3 16 B6R0.6 CCCNCCO AIFCHEM-94577775848 [1,1,0,0,0,0|0,0,1]=3 17 B6R0.6 CCNCCCO AIFCHEM-94537415438 [1,1,0,0,0,0|0,0,1]=3 18 B8R0.5 CCCN(C)CC(C)O AIFCHEM-94569013631 [0,2,0,0,0,0|1,0,1]=4 19 B8R0.5 COCC(C)NC(=O)C AIFCHEM-6033665979 [0,2,0,0,0,0|2,0,0]=4 20 B8R0.5 COC[C@@H](C)NC(=O)C AIFCHEM-94601268934 [0,2,0,0,0,0|2,0,0]=4 21 B8R0.5 COC[C@H](C)NC(=O)C AIFCHEM-5679939052 [0,2,0,0,0,0|2,0,0]=4 22 B8R0.19 CCN(C)CC(=O)NC AIFCHEM-94537421740 [0,2,0,0,0,0|2,0,0]=4 23 B8R0.19 CCN(C)CC(=O)OC AIFCHEM-94537414707 [0,2,0,0,0,0|1,0,0]=3 24 B8R0.1 CCCNC(=O)COC AIFCHEM-5791287162 [0,2,0,0,0,0|1,0,0]=3 25 B8R0.6 CCC(=O)NCCOC AIFCHEM-94526499594 [0,2,0,0,0,0|2,0,0]=4 26 B8R0.6 CCCNCC(O)CO AIFCHEM-94569020656 [0,2,0,0,0,0|0,0,2]=4 27 B8R0.6 CCCNC[C@@H](O)CO AIFCHEM-94569021250 [0,2,0,0,0,0|0,0,2]=4 28 B8R0.6 CCCNC[C@H](O)CO AIFCHEM-94521369678 [0,2,0,0,0,0|0,0,2]=4 29 B8R0.6 CSCCNC(=O)CO AIFCHEM-94532684957 [0,2,0,0,0,0|1,0,0]=3 30 B8R0.8 CCCNC(C)C(C)O AIFCHEM-94547073103 [0,2,0,0,0,0|1,0,1]=4 31 B8R0.9 CC(C)CNC(=O)CO AIFCHEM-94532683064 [0,2,0,0,0,0|1,0,0]=3 32 B8R0.9 O=C(CO)NCC(F)F AIFCHEM-94532685749 [0,2,0,0,0,0|2,0,0]=4 33 B8R0.7 COCCCNC(=O)C AIFCHEM-94535593052 [0,2,0,0,0,0|1,0,0]=3 34 B8R0.7 CSCCCNC(=O)C AIFCHEM-94535596324 [0,2,0,0,0,0|1,0,0]=3 35 B8R0.21 CCCNCC(C)(C)O AIFCHEM-94569016821 [0,2,0,0,0,0|1,0,1]=4 36 B8R0.21 CCNCCS(=O)(=O)N AIFCHEM-94537426743 [0,2,0,0,0,0|1,0,1]=4 37 B8R0.28 CC(=O)NCCC(=O)N AIFCHEM-94535598360 [0,2,0,0,0,0|1,0,1]=4 38 B8R0.28 CC(=O)NCCN(C)C AIFCHEM-5916242960 [0,2,0,0,0,0|2,0,0]=4 39 B8R0.15 CCCN(CC)C(=O)C AIFCHEM-99350620485 [0,2,0,0,0,0|2,0,0]=4 40 B8R1.34 CC(=O)NC1CSC1 AIFCHEM-94605343235 [0,1,0,1,0,0|2,0,0]=4 41 B8R1.40 C#CC(=O)NC1CC1 AIFCHEM-94525195526 [0,1,0,1,0,0|2,0,0]=4 42 B8R1.40 O=C(CO)NC1CC1 AIFCHEM-94532679178 [0,1,0,1,0,0|1,0,0]=3 43 B8R1.38 O=C(CO)N1CCC1 AIFCHEM-94532681960 [0,1,0,1,0,0|1,0,0]=3 44 B8R1.7 CC(=O)N1CCSC1 AIFCHEM-5599280756 [0,1,0,1,0,0|2,0,0]=4