0 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,0,0,0,0,0|1,0,0]=1 2 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.3 CNCC\C(N)=N\O BBL035311 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.3 COCC\C(N)=N\O BBL018147 [1,0,0,0,0,0|1,1,1]=4 6 B7R0.4 CCCCCC(C)=O BBL011381 [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,0,0,0,0,0|3,0,0]=4 8 B7R0.4 CCCOCC(=O)O BBL008506 [1,0,0,0,0,0|2,0,0]=3 9 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 NCCCCC(=O)O BBL027702 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.5 CCNC(=O)C(=O)O BBL005118 [1,0,0,0,0,0|2,0,1]=4 12 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,1,0,0,0,0|0,0,0]=1 13 B9R0.13 CCCCC(CC)C(=O)Cl BBL011414 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,1,0,0,0,0|1,0,0]=2 15 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 O=C1CCC(C(=O)O)N1 BBL011576 [0,0,0,1,0,0|2,0,0]=3 19 B6R0.1 CCC\C(N)=N\O BBL005361 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.4 C=CCCC(=O)O BBL027458 [2,0,0,0,0,0|0,0,2]=4 21 B6R0.4 CC(=O)CCCCl BBL010617 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.4 CCCCC(=O)Cl BBL012216 [2,0,0,0,0,0|1,0,0]=3 23 B6R0.4 CCCCC(C)=O BBL011434 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.4 CNCCC(N)=O BBL023425 [2,0,0,0,0,0|1,0,1]=4 25 B6R0.4 NCCCC(=O)O BBL008590 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 O=C(Cl)CCCCl BBL011409 [2,0,0,0,0,0|2,0,0]=4 27 B6R0.6 CCCCOC=O BBL012218 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.3 CCC(Br)C(=O)O BBL011564 [2,0,0,0,0,0|1,0,0]=3 29 B6R0.3 CCC(N)C(=O)O BBL012213 [2,0,0,0,0,0|0,0,0]=2 30 B6R0.3 CNC(C)C(=O)O BBL022510 [2,0,0,0,0,0|2,0,0]=4 31 B6R0.3 NC(CO)C(=O)O BBL012102 [2,0,0,0,0,0|0,1,0]=3 32 B6R0.3 NC(CS)C(=O)O BBL012104 [2,0,0,0,0,0|0,0,0]=2 33 B8R0.11 CCCCC(C=O)CC BBL010642 [1,1,0,0,0,0|2,0,0]=4 34 B8R0.7 CCCCCCC(C)=O BBL011429 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.7 CCCNCCC(N)=O BBL024551 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.7 O=C(O)CCCCCBr BBL012109 [1,1,0,0,0,0|1,0,0]=3 37 B8R0.28 CN(C)CCCC(=O)O BBL011871 [1,1,0,0,0,0|1,0,0]=3 38 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [1,1,0,0,0,0|1,0,0]=3 40 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [1,1,0,0,0,0|1,0,0]=3 41 B8R0.23 NC(CC(=O)O)C(=O)O BBL002458 [1,1,0,0,0,0|0,1,1]=4 42 B10R0.82 COC(=O)CCC(N)C(=O)O BBL019361 [0,2,0,0,0,0|0,1,0]=3 43 B10R0.83 [C@H](N)(CCCCN)C(=O)OC BBL010918 [0,2,0,0,0,0|1,0,0]=3 44 B10R0.75 CCCCCCC(N)C(=O)O BBL010495 [0,2,0,0,0,0|1,0,0]=3 45 B10R0.98 NC(CSCC(=O)O)C(=O)O BBL036318 [0,2,0,0,0,0|2,0,0]=4 46 B8R1.5 CC1CCCCC1=O BBL011421 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.5 O=C1CCCCC1Cl BBL011103 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 CC1CCCC(=O)C1 BBL013179 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.7 O=C(O)C1CCCO1 BBL001404 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.78 NC1(C(=O)O)CCC1 BBL001782 [1,0,0,1,0,0|0,0,0]=2 51 B10R1.18 O=C(O)CN1CCSCC1 BBL018071 [0,0,0,1,0,1|2,0,0]=4 52 B10R1.15 CNC(=O)C1CCCCN1 BBL031505 [0,1,0,1,0,0|2,0,0]=4 53 B10R1.113 NC1CCCC(C(=O)O)C1 BBL028080 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.363 NC1(C(=O)O)CCCCC1 BBL001486 [0,1,0,1,0,0|1,0,0]=3