0 B6R0.6 BrCCCCCBr BBL012205 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.6 CCCCCCBr BBL012217 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 CCCCCCI BBL011465 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 CCCCCCN BBL011106 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 CCCCN=C=O BBL027371 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 CCCCOC=O BBL012218 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.6 CCCNCCC BBL027756 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CCOCCCN BBL027700 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 NCCCCCN BBL027704 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 NCCNCCN BBL005239 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 NCCNCCO BBL027690 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 NCCOCCO BBL011501 [0,0,0,0,0,0|2,0,1]=3 12 B6R0.6 NCCSCCO BBL028287 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.2 BrCCCCBr BBL027293 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|0,0,2]=3 15 B5R0.2 CCCCCN BBL011398 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.2 CCNCCO BBL027409 [1,0,0,0,0,0|1,0,1]=3 17 B5R0.2 CCOCCBr BBL013472 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 CNCCCN BBL011479 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 COCCCN BBL011597 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 NCCCCN BBL027703 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.1 C=CCCCCCC BBL027759 [0,1,0,0,0,0|1,0,2]=4 22 B7R0.1 CCCCCCCI BBL027321 [0,1,0,0,0,0|1,0,2]=4 23 B7R0.1 N#CCCNCCO BBL023284 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.1 NCCCCCCN BBL027705 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,0,0,0,0|1,0,1]=3 26 B7R0.3 CCCCC(=O)NN BBL027902 [0,1,0,0,0,0|2,0,1]=4 27 B7R0.3 CNCC\C(N)=N\O BBL035311 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.3 COCC\C(N)=N\O BBL018147 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.4 CCCOCC(=O)O BBL008506 [0,1,0,0,0,0|1,0,2]=4 31 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,1,0,0,0,0|0,0,1]=2 32 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [0,1,0,0,0,0|0,0,3]=4 33 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|1,0,1]=3 34 B7R0.7 CCCC(N)CCC BBL003306 [0,1,0,0,0,0|1,0,2]=4 35 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.7 O=C(NCO)NCO BBL000676 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.7 OCNC(=S)NCO BBL011084 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.1 BrCC1OCCO1 BBL027424 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.1 CCN1C=CC=N1 BBL038143 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.1 ClCC1OCCO1 BBL011357 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.1 NCC1=CC=CO1 BBL011620 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.1 OCC1CCCN1 BBL021035 [0,0,0,1,0,0|1,0,1]=3 44 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,1,0,0|0,0,2]=3 45 B7R1.3 OC1COCOC1 BBL011466 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,0,0,1,0,0|2,0,1]=4 47 B7R1.4 OC1COCC1O BBL029389 [0,0,0,1,0,0|2,0,1]=4 48 B7R1.7 CCCCC1CO1 BBL011099 [0,0,0,1,0,0|0,0,2]=3 49 B7R1.24 C1=CCOCOC1 BBL027429 [0,0,0,1,0,0|1,0,0]=2 50 B4R0.2 BrCCCBr BBL011375 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.2 CCCCCl BBL012221 [2,0,0,0,0,0|1,0,0]=3 52 B4R0.2 CCCCI BBL027320 [2,0,0,0,0,0|1,0,0]=3 53 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,0]=3 54 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|1,0,0]=3 56 B4R0.2 C\C=C\C#N BBL036260 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|0,0,2]=4 58 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|0,0,0]=2 59 B4R0.2 N#CCCO BBL027405 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.2 NNCCO BBL027648 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|1,0,0]=3 65 B6R0.1 C=CC(=O)OCC BBL011497 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.1 CCC\C(N)=N\O BBL005361 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.1 CCOC(=O)CBr BBL027288 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.1 CCOC(=O)CCl BBL012578 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 CCOC(=O)CS BBL011508 [1,1,0,0,0,0|1,1,0]=4 70 B6R0.1 CNCC(=O)NC BBL030504 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.1 CNCC(O)CO BBL028168 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.1 COC(=O)CCBr BBL027291 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.1 COC(=O)CCN BBL010085 [1,1,0,0,0,0|2,0,0]=4 74 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|0,0,2]=4 77 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|0,0,1]=3 78 B6R0.4 CN(C)CCCO BBL011401 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|1,0,1]=4 80 B8R0.1 CCCNC(=O)CC#N BBL016523 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,2,0,0,0,0|2,0,0]=4 82 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,2,0,0,0,0|1,0,1]=4 83 B8R0.4 COCCNCCOC BBL011287 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.6 CCCCCC(=O)CC BBL011431 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.6 COCCNC(=O)CN BBL030590 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.7 CC(C)CNCCCO BBL030005 [0,2,0,0,0,0|0,0,2]=4 87 B8R0.7 CCCS\C=C/C(=O)[O-] BBL033998 [0,2,0,0,0,0|0,0,2]=4 88 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,2,0,0,0,0|2,0,0]=4 89 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.9 CC(C)CNC(=O)CN BBL031396 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.19 CCC(C)NC(=O)CCl BBL003704 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,2,0,0,0,0|1,0,1]=4 94 B8R0.28 CC(O)CNCC(C)O BBL013266 [0,2,0,0,0,0|1,0,1]=4 95 B6R1.1 C1OCOCO1 BBL011407 [1,0,0,1,0,0|2,0,0]=4 96 B6R1.2 NC1=NCCC1 BBL031757 [1,0,0,1,0,0|2,0,0]=4 97 B6R1.2 NC1CCCC1 BBL036999 [1,0,0,1,0,0|1,0,1]=4 98 B6R1.2 O=C1C=CCC1 BBL100014 [1,0,0,1,0,0|0,0,2]=4 99 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,1,0,0|0,0,2]=4 100 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,1,0,0|0,0,2]=4 101 B8R1.2 ClCC1COCCO1 BBL033753 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|1,0,1]=4 103 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|1,0,1]=4 104 B8R1.5 OC1CCCCC1O BBL027442 [0,1,0,1,0,0|0,0,2]=4 105 B8R1.8 OCCN1CCCC1 BBL027420 [0,1,0,1,0,0|0,0,2]=4 106 B8R1.11 CC1=C(CO)N=CN1 BBL013124 [0,1,0,1,0,0|1,0,1]=4 107 B8R1.11 CN1N=CC=C1CO BBL040783 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.22 NC1=NCCCCC1 BBL012958 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,1,0,1,0,0|0,0,2]=4 113 B8R2.25 C1CCC2OC2C1 BBL011411 [0,0,0,2,0,0|0,0,2]=4