0 B7R0.7 CCCC(=O)CCC BBL009715 [0,0,0,0,0,0|1,1,1]=3 1 B7R0.7 CCCC(N)CCC BBL003306 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 CCNC(=O)CCCl BBL037203 [0,0,0,0,0,0|2,1,1]=4 3 B7R0.7 CCOC(C)OCC BBL011492 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCC\C(N)=N\O BBL005361 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 CNCC(C)OC BBL003985 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.1 CNCC(O)CO BBL028168 [1,0,0,0,0,0|1,1,0]=3 7 B6R0.6 BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,0]=2 9 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.6 NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.6 NCCNCCN BBL005239 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.6 NCCNCCO BBL027690 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 NCCOCCO BBL011501 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 NCCSCCO BBL028287 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,0,0,1,0,0|2,0,0]=3 23 B8R1.8 ClCCN1CCCC1 BBL005577 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.8 NCCN1CCCC1 BBL037752 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.8 OCCN1CCCC1 BBL027420 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,1,0,0|3,0,0]=4 27 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|0,1,1]=4 29 B5R0.1 CC(C)CCBr BBL011503 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 CC(C)CCS BBL027486 [2,0,0,0,0,0|1,1,0]=4 31 B5R0.1 CC(O)CCO BBL037424 [2,0,0,0,0,0|0,1,0]=3 32 B5R0.1 CCCC(C)O BBL011460 [2,0,0,0,0,0|0,1,0]=3 33 B5R0.2 BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,2]=4 35 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4 38 B5R0.2 CNCCCN BBL011479 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.2 NCCCCN BBL027703 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.3 CCC(=O)CC BBL027755 [2,0,0,0,0,0|0,1,1]=4 42 B5R0.3 CCC(N)CO BBL027677 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.3 OCC(O)CCl BBL011374 [2,0,0,0,0,0|1,1,0]=4 44 B7R0.2 CNC(C)CC(C)C BBL023276 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,1,1]=4 46 B7R0.12 CCN(CC)CCO BBL012211 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.1 C=CCCCCCC BBL027759 [1,1,0,0,0,0|1,0,0]=3 48 B7R0.1 CCCCCCCI BBL027321 [1,1,0,0,0,0|1,0,0]=3 49 B7R0.1 CCCCCN=C=S BBL027805 [1,1,0,0,0,0|0,1,1]=4 50 B7R0.1 N#CCCNCCO BBL023284 [1,1,0,0,0,0|1,0,1]=4 51 B7R0.1 NCCCCCCN BBL027705 [1,1,0,0,0,0|1,0,0]=3 52 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,1]=4 54 B7R0.4 NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,1]=4 55 B7R1.1 OCC1CCCN1 BBL021035 [1,0,0,1,0,0|1,0,0]=3 56 B7R1.3 NN1CCCCC1 BBL027587 [1,0,0,1,0,0|2,0,0]=4 57 B7R1.3 NN1CCOCC1 BBL027563 [1,0,0,1,0,0|2,0,0]=4 58 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|0,1,1]=4 59 B7R1.3 OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,1,0]=3 60 B7R1.3 OC1COCOC1 BBL011466 [1,0,0,1,0,0|1,1,0]=4 61 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.4 OC1COCC1O BBL029389 [1,0,0,1,0,0|1,1,0]=4 63 B7R1.25 CC1(CO)COC1 BBL027778 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.7 CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,0,0]=2 65 B9R1.2 CN1CCCC(CO)C1 BBL027592 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.8 CCCC1CCCCN1 BBL022356 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.8 ClCCC1CCCCN1 BBL031438 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.8 OCCC1CCCCN1 BBL027554 [0,1,0,1,0,0|1,0,0]=3 69 B9R1.12 CCCNC1CCCC1 BBL022960 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.15 CN1CCCCC1CO BBL027589 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.11 CCC(C)C1CCCN1 BBL020739 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.66 CC1(C)CC(=O)CCO1 BBL010566 [0,1,0,1,0,0|0,1,1]=4