0 B9R0.2 CCCCCCNC(N)=O 11639148 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCNCCCN(C)C 1366733 [0,0,0,0,0,0|3,0,0]=3 2 B8R0.4 CCCCCCCCN 2826643 [1,0,0,0,0,0|1,0,0]=2 3 B8R0.4 CCCCCCCCO 2826716 [1,0,0,0,0,0|0,0,0]=1 4 B8R0.4 CCCCNCCCC 1366601 [1,0,0,0,0,0|1,0,0]=2 5 B8R0.4 CCCCOCCCN 2826806 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.4 CCOCCOCCO 2827001 [1,0,0,0,0,0|2,0,0]=3 7 B8R0.4 COCCCNCCO 1868574 [1,0,0,0,0,0|2,0,0]=3 8 B8R0.4 COCCNCCOC 2826957 [1,0,0,0,0,0|3,0,0]=4 9 B8R0.7 CCCCCCC(=O)O 2826683 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.7 CCCNCCC(=O)O 3644512 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.7 NCCCCCC(=O)O 2826759 [1,0,0,0,0,0|2,0,1]=4 12 B8R0.7 O=C(O)CCCCCBr 972804 [1,0,0,0,0,0|2,0,1]=4 13 B10R0.4 CC(=O)NCCCCCCN 7020720034 [0,1,0,0,0,0|1,0,2]=4 14 B10R0.4 CCCCCCCCC(=O)Cl 2848173 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.4 CCCCCCCCC(=O)O 2831121 [0,1,0,0,0,0|1,0,1]=3 16 B10R0.74 CCCCCCCC(=O)NN 7119846920 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.74 CCCCCCOC(=O)CCl 4787323 [0,1,0,0,0,0|1,0,2]=4 18 B10R0.97 CN(C)CCCCCC(=O)O 15298305 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.18 O=C(O)CC1CCCCC1 1287819 [0,0,0,1,0,0|1,0,1]=3 20 B10R1.18 O=C(O)CC1CCCCO1 2129245 [0,0,0,1,0,0|2,0,1]=4 21 B10R1.18 O=C(O)CC1CCOCC1 1366729 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.66 O=C(O)CCN1CCCC1 7020670451 [0,0,0,1,0,0|2,0,1]=4 23 B7R0.1 CCCCCCCI 3112189 [2,0,0,0,0,0|1,0,0]=3 24 B7R0.1 CCCCNCCC 1366549 [2,0,0,0,0,0|1,0,0]=3 25 B7R0.1 CCCCNCCO 1868692 [2,0,0,0,0,0|1,0,0]=3 26 B7R0.1 CCCCOCCO 2826077 [2,0,0,0,0,0|1,0,0]=3 27 B7R0.1 COCCOCCO 2817276 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.1 NCCCCCCN 22430407 [2,0,0,0,0,0|2,0,0]=4 29 B7R0.1 NCCCCCCN 2826021 [2,0,0,0,0,0|2,0,0]=4 30 B7R0.1 NCCCCCCO 7020210387 [2,0,0,0,0,0|1,0,0]=3 31 B7R0.1 OCCCCCCO 2826079 [2,0,0,0,0,0|1,0,0]=3 32 B7R0.1 OCCCNCCO 2826115 [2,0,0,0,0,0|2,0,0]=4 33 B7R0.4 CC(C)CCCCN 2204705 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 CNCCCC(C)C 2400637 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.45 CCCCCCCCCCl 2832692 [1,1,0,0,0,0|0,0,0]=2 36 B9R0.45 CCCCCNCCCC 1366728 [1,1,0,0,0,0|0,0,0]=2 37 B9R0.45 NCCCCCCCCN 22430526 [1,1,0,0,0,0|1,0,0]=3 38 B9R0.45 OCCOCCOCCO 2829082 [1,1,0,0,0,0|2,0,0]=4 39 B11R0.30 CN(C)CCCCCCN(C)C 22430338 [0,2,0,0,0,0|2,0,0]=4 40 B11R0.4 CCCCCCCC(=O)OCC 2845347 [0,2,0,0,0,0|0,0,2]=4 41 B9R1.8 ClCCN1CCCCC1 1902086 [1,0,0,1,0,0|2,0,0]=4 42 B9R1.8 NCCC1CCOCC1 1366593 [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 NCCC1OCCCO1 1655109 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.8 OCCC1CCCCN1 2826600 [1,0,0,1,0,0|1,0,0]=3 45 B9R1.8 OCCC1CCOCC1 4060201 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.8 OCCC1COCCN1 6373416 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCCN1CCNCC1 2085626 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 OCCN1CCOCC1 1275582 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.12 CNCCN1CCCC1 1192664 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.12 CNCCN1CCCC1 3851320 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.12 NCCNC1CCCC1 1206151 [1,0,0,1,0,0|2,0,0]=4 52 B9R1.50 NC1CCCCCCC1 2826453 [1,0,0,1,0,0|1,0,0]=3 53 B9R1.50 O=C1CCCCCCC1 2826341 [1,0,0,1,0,0|0,0,2]=4 54 B9R1.6 O=C(O)C1CCCCC1 2826488 [1,0,0,1,0,0|1,0,1]=4 55 B11R1.172 CN(C)CCNC1CCCC1 1089620 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.53 NC[C@@H]1CCCC[C@@H]1C(=O)O 4855256 [0,1,0,1,0,0|1,0,1]=4 57 B11R1.91 CN(C)CCC1CCCCN1 7119900002 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.91 O=C(O)CCC1CCCCC1 1902275 [0,1,0,1,0,0|1,0,1]=4 59 B11R1.91 O=C(O)CCC1CCOCC1 2313009 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.91 O=C(O)CSC1CCCCC1 1181382 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.928 NC1(CC(=O)O)CCCCC1 4813050 [0,1,0,1,0,0|1,0,1]=4 62 B11R2.845 CC(N)C1CC2CCC1C2 2827400 [0,0,0,2,0,0|1,0,0]=3