0 B6R0.6 BrCCCCCBr BBL012205 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 CCCCCCBr BBL012217 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 CCCCCCI BBL011465 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 CCCCCCN BBL011106 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 CCCNCCC BBL027756 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 CCOCCCN BBL027700 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 NCCCCCN BBL027704 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 NCCNCCN BBL005239 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.6 NCCNCCO BBL027690 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.6 NCCOCCO BBL011501 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.6 NCCSCCO BBL028287 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 BrCCCCBr BBL027293 [1,0,0,0,0,0|2,0,0]=3 12 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|1,0,2]=4 13 B5R0.2 CCCCCN BBL011398 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.2 CCNCCO BBL027409 [1,0,0,0,0,0|0,0,0]=1 15 B5R0.2 CCOCCBr BBL013472 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CNCCCN BBL011479 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.2 COCCCN BBL011597 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.2 NCCCCN BBL027703 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.1 C=CCCCCCC BBL027759 [0,1,0,0,0,0|3,0,0]=4 20 B7R0.1 C=CCNCCC#N BBL023289 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.1 CCCCCCCI BBL027321 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.1 COCCNCC#N BBL031674 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.1 N#CCCNCCO BBL023284 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.1 N#CCCOCCCl BBL024982 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.1 NCCCCCCN BBL027705 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.1 NCCSSCCN BBL010640 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.4 C=CCNCC(C)C BBL000393 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.4 CCCOCC(=O)O BBL008506 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.4 NCCCCC(=O)O BBL027702 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.7 CCCC(N)CCC BBL003306 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.7 O=C(NCO)NCO BBL000676 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.7 OCNC(=S)NCO BBL011084 [0,1,0,0,0,0|3,0,0]=4 34 B7R1.1 BrCC1OCCO1 BBL027424 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.1 ClCC1OCCO1 BBL011357 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.1 OCC1CCCN1 BBL021035 [0,0,0,1,0,0|1,0,0]=2 37 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 OC1COCOC1 BBL011466 [0,0,0,1,0,0|3,0,0]=4 39 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.4 OC1COCC1O BBL029389 [0,0,0,1,0,0|1,0,0]=2 41 B7R1.7 CCCCC1CO1 BBL011099 [0,0,0,1,0,0|2,0,0]=3 42 B4R0.2 BrCCCBr BBL011375 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 CCCCCl BBL012221 [2,0,0,0,0,0|1,0,0]=3 44 B4R0.2 CCCCI BBL027320 [2,0,0,0,0,0|1,0,0]=3 45 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|1,0,0]=3 47 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|0,0,0]=2 48 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|0,0,2]=4 49 B4R0.2 N#CCCO BBL027405 [2,0,0,0,0,0|1,0,1]=4 50 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 52 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 53 B4R0.2 NNCCO BBL027648 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|1,0,0]=3 55 B6R0.1 CNCC(O)CO BBL028168 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|1,0,1]=4 57 B6R0.4 CC(C)OCCCl BBL030951 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 CN(C)CCCO BBL011401 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|1,0,1]=4 60 B8R0.1 N#CCC(=O)NCCO BBL016933 [0,2,0,0,0,0|1,0,1]=4 61 B8R0.4 CCCCNCCCC BBL002913 [0,2,0,0,0,0|2,0,0]=4 62 B8R0.4 COCCNCCC#N BBL024553 [0,2,0,0,0,0|1,0,0]=3 63 B8R0.4 COCCNCCOC BBL011287 [0,2,0,0,0,0|0,0,0]=2 64 B8R0.6 CCC(C)NCCC#N BBL023160 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.6 COCCNC(=O)CN BBL030590 [0,2,0,0,0,0|1,0,1]=4 66 B8R0.7 CC(C)CNCCCO BBL030005 [0,2,0,0,0,0|1,0,0]=3 67 B8R0.7 CCCNCCC(N)=O BBL024551 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,2,0,0,0,0|2,0,0]=4 69 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,2,0,0,0,0|1,0,0]=3 70 B8R0.28 CC(O)CNCC(C)O BBL013266 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.28 O=C(O)CNCC(=O)O BBL027454 [0,2,0,0,0,0|0,0,2]=4 72 B6R1.2 NC1CCCC1 BBL036999 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.2 ClCC1COCCO1 BBL033753 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.5 OC1CCCCC1O BBL027442 [0,1,0,1,0,0|1,0,0]=3 78 B8R1.8 ClCCN1CCCC1 BBL005577 [0,1,0,1,0,0|2,0,0]=4 79 B8R1.8 NCCN1CCCC1 BBL037752 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.8 OCCN1CCCC1 BBL027420 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.22 CN1CCCNCC1 BBL004956 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|1,0,1]=4 83 B8R1.3 CC1CNC(C)CN1 BBL027547 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.52 CC1(CBr)OCCO1 BBL037736 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,1,0,1,0,0|1,0,0]=3 86 B8R1.7 CC(C)C1CCCN1 BBL020618 [0,1,0,1,0,0|2,0,0]=4 87 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.7 O=C(O)C1NCCS1 BBL034715 [0,1,0,1,0,0|0,1,1]=4 90 B8R2.25 C1CCC2OC2C1 BBL011411 [0,0,0,2,0,0|2,0,0]=4