0 B7R0.1 C=CCCCCCC SBB059884 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 CCCCCCC#N SBB060052 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCCCCBr SBB059936 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 CCCCCCCCl SBB059954 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CCCCCCCN SBB059985 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.1 CCCCCCOC SBB061157 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 CCCCCN=C=S SBB085742 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.1 CCCCCOC=O SBB060301 [0,0,0,0,0,0|2,1,1]=4 8 B7R0.1 CCCCCSC#N SBB060089 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 COCCCN=C=S SBB085786 [0,0,0,0,0,0|0,1,0]=1 10 B7R0.1 CSCCCN=C=S SBB066566 [0,0,0,0,0,0|0,0,0]=0 11 B7R0.1 C\C=C\CCCCC SBB059885 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 C#CCCCCC SBB067441 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 CCCCCC#N SBB060051 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.6 CCCCCCBr SBB059934 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.6 CCCCCCCl SBB059952 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCCCCCN SBB059984 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCCCCO SBB059899 [1,0,0,0,0,0|1,1,1]=4 19 B6R0.6 CCCCCOC SBB061300 [1,0,0,0,0,0|1,1,1]=4 20 B6R0.6 CCCCN=C=S SBB060985 [1,0,0,0,0,0|0,0,0]=1 21 B6R0.6 CCCCNC=O SBB060026 [1,0,0,0,0,0|0,1,2]=4 22 B6R0.6 CCCCOC=O SBB060300 [1,0,0,0,0,0|1,1,1]=4 23 B6R0.6 CCCCSC#N SBB056760 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.6 CCCCSCC SBB061178 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.6 COCCN=C=S SBB013663 [1,0,0,0,0,0|0,1,0]=2 26 B6R0.6 O=C=NCCCCl SBB068362 [1,0,0,0,0,0|1,1,0]=3 27 B8R0.4 CCCCCCN=C=O SBB058614 [0,1,0,0,0,0|1,1,0]=3 28 B8R0.4 CCCCCCN=C=S SBB061289 [0,1,0,0,0,0|1,0,0]=2 29 B8R0.4 CCCCCCSCC SBB061179 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.4 CCOCCCN=C=S SBB030512 [0,1,0,0,0,0|0,1,0]=2 31 B8R1.5 CC1=NCCCN1C SBB001664 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.8 O=C=NC1CCCC1 SBB046723 [0,0,0,1,0,0|1,1,0]=3 33 B8R1.8 S=C=NC1CCCC1 SBB017610 [0,0,0,1,0,0|1,0,0]=2 34 B5R0.2 C=CCN=C=S SBB060631 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.2 CCCCCBr SBB059933 [2,0,0,0,0,0|1,0,1]=4 36 B5R0.2 CCCCCCl SBB059951 [2,0,0,0,0,0|1,0,1]=4 37 B5R0.2 CCCN=C=S SBB060984 [2,0,0,0,0,0|0,0,0]=2 38 B5R0.2 CNCCCN SBB059823 [2,0,0,0,0,0|1,0,1]=4 39 B5R0.2 CSCCCO SBB056451 [2,0,0,0,0,0|0,1,0]=3 40 B5R0.2 O=C=NCCCl SBB054898 [2,0,0,0,0,0|1,1,0]=4 41 B7R0.3 CCC(C)CN=C=S SBB085743 [1,1,0,0,0,0|0,0,0]=2 42 B7R0.3 OC[C@H](CCSC)N SBB006701 [1,1,0,0,0,0|0,1,1]=4 43 B7R0.3 S=C=NCC(Br)CBr SBB019321 [1,1,0,0,0,0|1,0,0]=3 44 B7R0.4 CCCCNC(N)=S SBB028242 [1,1,0,0,0,0|0,0,2]=4 45 B7R0.7 CCOC(=O)N=C=S SBB066610 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.7 COCC(C)N=C=S SBB059494 [1,1,0,0,0,0|0,1,0]=3 47 B7R1.3 S=C1NCCCS1 SBB085843 [1,0,0,1,0,0|0,0,2]=4 48 B9R1.8 O=C=NC1CCCCC1 SBB060893 [0,1,0,1,0,0|1,1,0]=4 49 B9R1.8 S=C=NC1CCCCC1 SBB014110 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.12 S=C=NCC1CCCO1 SBB017396 [0,1,0,1,0,0|1,0,0]=3