0 B5R0.2 BrCCCCBr BBL027293 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.2 CCCCC=O BBL027632 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCCCCN BBL011398 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.2 CCNCCO BBL027409 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CCOCCBr BBL013472 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.2 CNCCC#N BBL011478 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.2 CNCCCN BBL011479 [0,0,0,0,0,0|1,0,0]=1 7 B5R0.2 COCCCN BBL011597 [0,0,0,0,0,0|0,1,0]=1 8 B5R0.2 N#CCCC#N BBL011331 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.2 NCCCCN BBL027703 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 O=C=NCCCl BBL027370 [0,0,0,0,0,0|4,0,0]=4 11 B4R0.2 BrCCCBr BBL011375 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|1,0,0]=2 13 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|0,0,0]=1 15 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|1,0,0]=2 16 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|2,0,0]=3 17 B4R0.2 C\C=C\CO BBL027414 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.2 N#CCCBr BBL011566 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.2 N#CCCO BBL027405 [1,0,0,0,0,0|0,1,2]=4 20 B4R0.2 NCCCBr BBL010090 [1,0,0,0,0,0|1,0,0]=2 21 B4R0.2 NCCCCl BBL009705 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.2 NCCCN BBL027701 [1,0,0,0,0,0|1,0,0]=2 23 B4R0.2 NNCCO BBL027648 [1,0,0,0,0,0|1,1,0]=3 24 B4R0.2 OCCCBr BBL027416 [1,0,0,0,0,0|1,1,0]=3 25 B6R0.1 CNCC(C)OC BBL003985 [0,1,0,0,0,0|2,1,0]=4 26 B6R0.1 CNCC(O)CO BBL028168 [0,1,0,0,0,0|2,0,0]=3 27 B6R0.1 COC(=O)CCBr BBL027291 [0,1,0,0,0,0|1,1,1]=4 28 B6R0.1 COC(=O)CCN BBL010085 [0,1,0,0,0,0|0,1,1]=3 29 B6R0.1 COCC(=O)NN BBL013411 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.4 CC(=O)CCCCl BBL010617 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)NCCN BBL027688 [0,1,0,0,0,0|2,0,0]=3 32 B6R0.4 CC(C)OCCCl BBL030951 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.4 CCCCC(=O)Cl BBL012216 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CCCCC(C)=O BBL011434 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 CN(C)CCC#N BBL013139 [0,1,0,0,0,0|1,0,2]=4 36 B6R0.4 CN(C)CCCO BBL011401 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.4 CNCCC(N)=O BBL023425 [0,1,0,0,0,0|1,0,1]=3 38 B6R0.4 NCCCC(=O)O BBL008590 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.4 O=C(Cl)CCCCl BBL011409 [0,1,0,0,0,0|3,0,0]=4 40 B6R0.6 BrCCCCCBr BBL012205 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.6 CCCCCCBr BBL012217 [0,1,0,0,0,0|2,0,0]=3 42 B6R0.6 CCCCCCI BBL011465 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.6 CCCCCCN BBL011106 [0,1,0,0,0,0|1,0,0]=2 44 B6R0.6 CCCCN=C=O BBL027371 [0,1,0,0,0,0|2,0,1]=4 45 B6R0.6 CCCCOC=O BBL012218 [0,1,0,0,0,0|1,1,1]=4 46 B6R0.6 CCCNCCC BBL027756 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.6 CCOCCCN BBL027700 [0,1,0,0,0,0|0,1,0]=2 48 B6R0.6 COCCN=C=S BBL011963 [0,1,0,0,0,0|1,1,1]=4 49 B6R0.6 NCCCCCN BBL027704 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.6 NCCNCCN BBL005239 [0,1,0,0,0,0|2,0,0]=3 51 B6R0.6 NCCNCCO BBL027690 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.6 NCCOCCO BBL011501 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.6 NCCSCCO BBL028287 [0,1,0,0,0,0|2,0,0]=3 54 B6R1.1 C1OCOCO1 BBL011407 [0,0,0,1,0,0|2,1,0]=4 55 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,1,0,0|1,0,0]=2 57 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,1,0,0|1,0,1]=3 58 B3R0.1 C#CCN BBL027696 [2,0,0,0,0,0|0,0,2]=4 59 B3R0.1 ClCCBr BBL011345 [2,0,0,0,0,0|2,0,0]=4 60 B3R0.1 N#CCN BBL009721 [2,0,0,0,0,0|1,0,1]=4 61 B3R0.1 NCCCl BBL011524 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|1,1,0]=4 63 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|1,1,0]=4 64 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|1,1,0]=4 65 B3R0.1 SCCS BBL011363 [2,0,0,0,0,0|1,0,0]=3 66 B5R0.1 C=C(C)CCO BBL027415 [1,1,0,0,0,0|1,0,1]=4 67 B5R0.1 CC(=O)CCO BBL028076 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.1 CC(C)CC=O BBL027631 [1,1,0,0,0,0|1,0,1]=4 69 B5R0.1 CC(C)CCBr BBL011503 [1,1,0,0,0,0|1,0,0]=3 70 B5R0.1 CC(C)CCS BBL027486 [1,1,0,0,0,0|1,0,0]=3 71 B5R0.1 CC(O)CCO BBL037424 [1,1,0,0,0,0|1,0,0]=3 72 B5R0.1 CCCC(=O)Cl BBL011417 [1,1,0,0,0,0|1,0,1]=4 73 B5R0.1 CCCC(C)O BBL011460 [1,1,0,0,0,0|1,0,0]=3 74 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.1 CNCC(N)=O BBL011928 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.1 CSCC(C)=O BBL100878 [1,1,0,0,0,0|0,0,1]=3 77 B5R0.1 NC(=O)CCCl BBL011453 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.1 NCCC(=O)O BBL037332 [1,1,0,0,0,0|0,1,1]=4 79 B5R0.3 CCC(=O)CC BBL027755 [1,1,0,0,0,0|1,0,1]=4 80 B5R0.3 CCC(=O)NN BBL036933 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.3 CCC(N)CO BBL027677 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.3 ClCC(Cl)CCl BBL010950 [1,1,0,0,0,0|2,0,0]=4 83 B5R0.3 NCC(O)CN BBL011378 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.3 OCC(O)CCl BBL011374 [1,1,0,0,0,0|1,1,0]=4 85 B7R0.2 CNC(C)CC(C)C BBL023276 [0,2,0,0,0,0|2,0,0]=4 86 B7R0.2 CNC(C)CC(N)=O BBL024637 [0,2,0,0,0,0|1,0,1]=4 87 B7R0.3 CCCCC(=O)CC BBL011476 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.3 CCCCC(=O)NN BBL027902 [0,2,0,0,0,0|1,0,1]=4 89 B7R0.3 CNC(=O)CCCN BBL022745 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.3 CNCCC(=O)NC BBL023441 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.3 CNCC\C(N)=N\O BBL035311 [0,2,0,0,0,0|1,0,1]=4 92 B7R0.3 COC(=O)CCCCl BBL011535 [0,2,0,0,0,0|1,1,0]=4 93 B7R0.3 COCC\C(N)=N\O BBL018147 [0,2,0,0,0,0|0,1,1]=4 94 B7R0.7 CCCC(=O)CCC BBL009715 [0,2,0,0,0,0|2,0,0]=4 95 B7R0.7 CCCC(N)CCC BBL003306 [0,2,0,0,0,0|2,0,0]=4 96 B7R0.12 CCN(CC)CCN BBL027692 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.4 CCCCCC(C)=O BBL011381 [0,2,0,0,0,0|2,0,0]=4 98 B7R0.4 NCCCCC(=O)O BBL027702 [0,2,0,0,0,0|1,0,1]=4 99 B7R0.1 C=CCCCCCC BBL027759 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.1 CCCCCCCI BBL027321 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.1 CCCCCN=C=S BBL027805 [0,2,0,0,0,0|1,0,1]=4 102 B7R0.1 COCCCN=C=O BBL037672 [0,2,0,0,0,0|0,1,1]=4 103 B7R0.1 COCCCN=C=S BBL027870 [0,2,0,0,0,0|0,1,1]=4 104 B7R0.1 COCCNCC#N BBL031674 [0,2,0,0,0,0|0,1,1]=4 105 B7R0.1 NCCCCCCN BBL027705 [0,2,0,0,0,0|1,0,0]=3 106 B7R0.1 NCCSSCCN BBL010640 [0,2,0,0,0,0|1,0,0]=3 107 B5R1.2 OC1CNC1 BBL023120 [1,0,0,1,0,0|2,0,0]=4 108 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|0,1,0]=3 109 B5R1.3 NCC1CC1 BBL027928 [1,0,0,1,0,0|0,0,0]=2 110 B5R1.3 O=CC1CC1 BBL034662 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,1,0,0|0,0,0]=2 112 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.3 NN1CCCCC1 BBL027587 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.3 NN1CCOCC1 BBL027563 [0,1,0,1,0,0|1,1,0]=4 115 B7R1.3 O=C1CCCCN1 BBL027557 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.3 OC1CCCCC1 BBL013186 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.3 OC1COCOC1 BBL011466 [0,1,0,1,0,0|1,1,0]=4 118 B7R1.3 SC1=NCCCN1 BBL027546 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,1,0,0|0,1,1]=4 120 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,1,0,0|0,0,1]=3 121 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,1,0,1,0,0|0,0,0]=2 122 B7R1.4 OC1COCC1O BBL029389 [0,1,0,1,0,0|1,1,0]=4 123 B7R1.25 CC1(CO)COC1 BBL027778 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.7 CCCCC1CO1 BBL011099 [0,1,0,1,0,0|1,1,0]=4