0 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(C)CCOC(=S)[S-] BBL011341 [0,0,0,0,0,0|1,1,0]=2 2 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 CN(C)CCCC(=O)O BBL011871 [0,0,0,0,0,0|3,0,0]=3 4 B7R0.4 C=CCNCC(C)C BBL000393 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,0,0,0,0,0|1,0,0]=2 7 B7R0.4 CCCOCC(=O)O BBL008506 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 NCCCCC(=O)O BBL027702 [1,0,0,0,0,0|3,0,0]=4 10 B9R0.1 CCC(C)NCCC(N)=O BBL024550 [0,1,0,0,0,0|3,0,0]=4 11 B9R0.1 COC(=O)CCNC(C)C BBL036837 [0,1,0,0,0,0|2,0,0]=3 12 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,1,0,0,0,0|3,0,0]=4 13 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,1,0,0,0,0|2,0,1]=4 15 B9R1.66 CC1(C)CC(=O)CCO1 BBL010566 [0,0,0,1,0,0|2,0,0]=3 16 B7R0.6 CC(=O)CCC(=O)O BBL027404 [0,0,0,0,1,0|2,0,1]=4 17 B7R0.6 CC(=O)CCC(C)=O BBL027731 [0,0,0,0,1,0|1,0,1]=3 18 B7R0.6 CC(=O)CCN(C)C BBL013551 [0,0,0,0,1,0|1,0,0]=2 19 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [0,0,0,0,1,0|0,0,2]=3 20 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [0,0,0,0,1,0|1,0,2]=4 21 B7R0.6 CC(C)COC(=O)Cl BBL011424 [0,0,0,0,1,0|1,0,0]=2 22 B7R0.6 CC(C)OCC(=O)O BBL031299 [0,0,0,0,1,0|2,0,0]=3 23 B7R0.6 CN(C)CCN(C)C BBL011565 [0,0,0,0,1,0|3,0,0]=4 24 B6R0.4 CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CC(=O)NCCN BBL027688 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 CCCCC(C)=O BBL011434 [2,0,0,0,0,0|0,0,0]=2 28 B6R0.4 CNCCC(N)=O BBL023425 [2,0,0,0,0,0|2,0,0]=4 29 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|2,0,0]=4 30 B6R0.4 O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.6 CCCCN=C=O BBL027371 [2,0,0,0,0,0|1,0,1]=4 32 B6R0.6 CCCCOC=O BBL012218 [2,0,0,0,0,0|0,0,0]=2 33 B6R0.6 CCOCCCN BBL027700 [2,0,0,0,0,0|1,0,1]=4 34 B8R0.6 CCCCCC(=O)CC BBL011431 [1,1,0,0,0,0|1,0,0]=3 35 B8R0.6 CCCCCC(=O)NN BBL014328 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.6 COCCNC(=O)CN BBL030590 [1,1,0,0,0,0|2,0,0]=4 37 B8R0.7 CCCCCCC(C)=O BBL011429 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.7 CCCNCCC(N)=O BBL024551 [1,1,0,0,0,0|2,0,0]=4 39 B8R0.7 O=C(O)CCCCCBr BBL012109 [1,1,0,0,0,0|2,0,0]=4 40 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.8 CCCCC(N)C(=O)O BBL011583 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,1,0,0,1,0|1,0,0]=3 43 B8R0.23 CC(O)CC(O)C(C)C BBL030511 [0,1,0,0,1,0|0,0,2]=4 44 B10R0.3 CC(C)=CCCC(C)CCO BBL009826 [0,2,0,0,0,0|2,0,0]=4 45 B10R0.31 CC(CC(=O)Cl)CC(C)(C)C BBL011457 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.4 CC1CCCC(=O)C1 BBL013179 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.4 CC1CCNC(C)C1 BBL038129 [1,0,0,1,0,0|1,0,1]=4 48 B8R1.22 NC1=NCCCCC1 BBL012958 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.22 O=C1CCCCCO1 BBL011394 [1,0,0,1,0,0|0,0,0]=2 50 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,0,0,1,1,0|1,0,1]=4 51 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,0,0,1,1,0|1,0,1]=4 52 B10R1.13 CC(C)N1CCC(=O)CC1 BBL027936 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.171 CNC1CCOC(C)(C)C1 BBL031456 [0,1,0,1,0,0|1,0,1]=4 54 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 BBL028028 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.329 CC1=CC(=O)CC(C)(C)C1 BBL027346 [0,1,0,1,0,0|1,0,1]=4 56 B10R1.329 CC1CC(=O)CC(C)(C)C1 BBL011400 [0,1,0,1,0,0|1,0,0]=3 57 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,0,0,0,2,0|1,0,0]=3 58 B6R0.2 CC(C)CC(=O)O BBL027399 [0,0,0,0,2,0|1,0,0]=3 59 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [0,0,0,0,2,0|1,1,0]=4 60 B6R0.2 CC(O)CC(=O)O BBL027467 [0,0,0,0,2,0|2,0,0]=4