0 B10R0.71 CCCCCCC#CCCO SBB008896 [0,0,0,0,0,0|0,0,4]=4 1 B10R0.71 CCCCCCCC#CCO SBB008898 [0,0,0,0,0,0|0,0,4]=4 2 B10R0.71 CCCCCCCCCCO SBB059908 [0,0,0,0,0,0|0,0,4]=4 3 B10R0.71 CCCCCCCOCCO SBB060174 [0,0,0,0,0,0|1,0,3]=4 4 B10R0.71 CCCCCCCSCCO SBB019264 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.71 CCCCC\C=C\C=C\C=O SBB066368 [0,0,0,0,0,0|0,0,2]=2 6 B10R0.71 CCCC\C=C\CCCCO SBB008885 [0,0,0,0,0,0|0,0,4]=4 7 B9R0.45 C(=O)\C=C\CCCCCC SBB006609 [1,0,0,0,0,0|0,0,2]=3 8 B9R0.45 CCCCCC#CCCO SBB009142 [1,0,0,0,0,0|0,0,3]=4 9 B9R0.45 CCCCCCC#CCO SBB009144 [1,0,0,0,0,0|0,0,3]=4 10 B9R0.45 CCCCCCCCCO SBB059907 [1,0,0,0,0,0|0,0,3]=4 11 B9R0.45 CCCCCCNCCO SBB007879 [1,0,0,0,0,0|1,0,2]=4 12 B9R0.45 CCCCCCOCCO SBB060173 [1,0,0,0,0,0|1,0,2]=4 13 B9R0.45 CCCCCCSCCO SBB060444 [1,0,0,0,0,0|1,0,2]=4 14 B11R0.3 CCCCCC\C=C\C=C\C=O SBB068342 [0,1,0,0,0,0|0,0,2]=3 15 B11R0.140 C\C=C\C=C\C(=O)OCCCC SBB007991 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.28 CCCCCC1=CC=CC=C1 SBB057141 [0,0,0,1,0,0|1,0,1]=3 17 B11R1.28 CCCCNC1=CC=CC=C1 SBB058812 [0,0,0,1,0,0|2,0,1]=4 18 B11R1.28 CCCCOC1=CC=CC=C1 SBB060061 [0,0,0,1,0,0|2,0,1]=4 19 B11R1.28 CCCNCC1=CC=CC=C1 SBB080024 [0,0,0,1,0,0|2,0,1]=4 20 B11R1.28 CCCOCC1=CC=CC=C1 SBB061197 [0,0,0,1,0,0|2,0,1]=4 21 B11R1.28 NCCCCC1=NC=CC=C1 SBB018864 [0,0,0,1,0,0|2,0,1]=4 22 B8R0.4 C=CCCCCCCC SBB060474 [2,0,0,0,0,0|0,0,2]=4 23 B8R0.4 CCCCCC#CCO SBB009105 [2,0,0,0,0,0|0,0,2]=4 24 B8R0.4 CCCCCCCCO SBB059902 [2,0,0,0,0,0|0,0,2]=4 25 B8R0.4 CCCCCNCCO SBB059826 [2,0,0,0,0,0|1,0,1]=4 26 B8R0.4 CCCCC\C=C\C=O SBB068337 [2,0,0,0,0,0|0,0,1]=3 27 B8R0.4 C\C=C\CSCCCC SBB061594 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.21 CNCCCC1=CC=CO1 SBB301605 [1,0,0,1,0,0|1,0,0]=3 29 B10R1.21 NCCSCC1=CC=CO1 SBB010394 [1,0,0,1,0,0|2,0,0]=4 30 B10R1.21 OCCNCC1=CC=CO1 SBB017330 [1,0,0,1,0,0|2,0,0]=4 31 B10R1.29 CCCCN1N=CC=C1C SBB025004 [1,0,0,1,0,0|2,0,0]=4 32 B10R1.161 COC1=CCCCCCC1 SBB008525 [1,0,0,1,0,0|1,0,1]=4 33 B12R1.8 CCCCCOC1=CC=CC=C1 SBB060062 [0,1,0,1,0,0|1,0,1]=4 34 B12R1.8 CCCCOCC1=CC=CC=C1 SBB061154 [0,1,0,1,0,0|1,0,1]=4 35 B12R1.8 N(CCCC)CC1=CC=CC=C1 SBB006552 [0,1,0,1,0,0|1,0,1]=4 36 B12R1.28 CCCCCC1=CC=CC(=O)O1 SBB008445 [0,1,0,1,0,0|0,0,1]=3 37 B12R1.1 CCCCCC1=CC=C(N)C=C1 SBB008338 [0,1,0,1,0,0|1,0,1]=4 38 B12R1.1 CCCCCC1=CC=C(O)C=C1 SBB059154 [0,1,0,1,0,0|1,0,1]=4 39 B12R1.30 CCCCC(O)C1=CC=CC=C1 SBB063387 [0,1,0,1,0,0|1,0,1]=4 40 B12R1.35 CCCCCC(=O)C1=CC=CO1 SBB008342 [0,1,0,1,0,0|0,0,1]=3 41 B12R1.35 CCCCCC(=O)C1=CC=CS1 SBB061352 [0,1,0,1,0,0|0,1,1]=4 42 B12R1.252 CC(N)CCCC1=CC=CC=C1 SBB010444 [0,1,0,1,0,0|1,0,1]=4 43 B12R1.255 CC(N)CCCCC1=CC=CO1 SBB017103 [0,1,0,1,0,0|0,0,2]=4 44 B12R2.2 C1=CC=C(C2CCCC2)C=C1 SBB060080 [0,0,0,2,0,0|1,0,1]=4 45 B12R2.1081 OC1=C2CCCCC2=CC=C1 SBB059308 [0,0,0,2,0,0|0,0,2]=4 46 B12R2.1081 OC1CCCC2=CC=CC=C21 SBB056331 [0,0,0,2,0,0|0,0,2]=4