0 B7R1.3 NN1CCCCC1 BBL027587 [0,0,0,0,0,0|1,0,0]=1 1 B7R1.3 NN1CCOCC1 BBL027563 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,0,0,0|1,0,0]=1 5 B7R1.3 OC1COCOC1 BBL011466 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 SC1=NCCCN1 BBL027546 [0,0,0,0,0,0|3,0,1]=4 7 B6R1.1 C1OCOCO1 BBL011407 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,0,0,0|2,0,0]=3 10 B8R1.2 CNC1CCSCC1 BBL032171 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.2 COC1CCNCC1 BBL025762 [0,1,0,0,0,0|2,0,0]=3 12 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,0,0,0|2,0,0]=3 13 B8R1.2 ClCC1COCCO1 BBL033753 [0,1,0,0,0,0|3,0,0]=4 14 B8R1.2 N#CC1CCOCC1 BBL018006 [0,1,0,0,0,0|1,0,1]=3 15 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,1,0,0,0,0|0,0,0]=1 16 B8R1.3 CC1CNC(C)CN1 BBL027547 [0,1,0,0,0,0|3,0,0]=4 17 B8R1.3 CN1CCC(O)CC1 BBL012985 [0,1,0,0,0,0|2,0,0]=3 18 B8R1.3 CN1CCN(N)CC1 BBL027562 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.3 O=C1CCC(=O)CC1 BBL027348 [0,1,0,0,0,0|1,0,2]=4 20 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,0,0,0|1,0,1]=3 21 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,1,0,0,0,0|2,0,0]=3 22 B8R1.4 CN1CCCC(O)C1 BBL027590 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,0,0,0|1,0,1]=3 24 B8R1.5 NC1CCCCC1N BBL027344 [0,1,0,0,0,0|0,0,0]=1 25 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,0,0,0|1,0,1]=3 26 B8R1.5 OC1CCCCC1O BBL027442 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.72 OC1(O)CCNCC1 BBL009716 [0,1,0,0,0,0|2,0,0]=3 28 B6R0.1 CCC\C(N)=N\O BBL005361 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.1 CNCC(C)OC BBL003985 [0,0,1,0,0,0|3,0,0]=4 30 B6R0.1 CNCC(O)CO BBL028168 [0,0,1,0,0,0|3,0,0]=4 31 B6R0.4 CC(=O)CCCCl BBL010617 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.4 CC(C)OCCCl BBL030951 [0,0,1,0,0,0|3,0,0]=4 33 B6R0.4 CCCCC(=O)Cl BBL012216 [0,0,1,0,0,0|2,0,1]=4 34 B6R0.4 CCCCC(C)=O BBL011434 [0,0,1,0,0,0|1,0,1]=3 35 B6R0.4 CN(C)CCCO BBL011401 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.4 CNCCC(N)=O BBL023425 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.6 BrCCCCCBr BBL012205 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.6 CCCCCCBr BBL012217 [0,0,1,0,0,0|1,0,0]=2 39 B6R0.6 CCCCCCI BBL011465 [0,0,1,0,0,0|1,0,0]=2 40 B6R0.6 CCCCCCN BBL011106 [0,0,1,0,0,0|0,0,0]=1 41 B6R0.6 CCCCN=C=O BBL027371 [0,0,1,0,0,0|2,0,1]=4 42 B6R0.6 CCCCOC=O BBL012218 [0,0,1,0,0,0|2,0,1]=4 43 B6R0.6 CCCNCCC BBL027756 [0,0,1,0,0,0|2,0,0]=3 44 B6R0.6 CCOCCCN BBL027700 [0,0,1,0,0,0|1,0,0]=2 45 B6R0.6 NCCCCCN BBL027704 [0,0,1,0,0,0|1,0,0]=2 46 B6R0.6 NCCNCCN BBL005239 [0,0,1,0,0,0|2,0,0]=3 47 B6R0.6 NCCNCCO BBL027690 [0,0,1,0,0,0|2,0,0]=3 48 B6R0.6 NCCOCCO BBL011501 [0,0,1,0,0,0|2,0,0]=3 49 B6R0.6 NCCSCCO BBL028287 [0,0,1,0,0,0|2,0,0]=3 50 B8R2.25 C1CCC2OC2C1 BBL011411 [0,0,0,1,0,0|1,0,0]=2 51 B6R1.2 NC1=NCCC1 BBL031757 [0,0,0,0,1,0|1,0,1]=3 52 B6R1.2 NC1=NCCS1 BBL000029 [0,0,0,0,1,0|2,0,1]=4 53 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,0,1,0|0,0,0]=1 54 B6R1.2 O=C1CCSC1 BBL027522 [0,0,0,0,1,0|2,0,1]=4 55 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,0,0,1|2,0,0]=3 56 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,0,0,1|0,0,1]=2 57 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,0,0,1|1,0,1]=3 58 B5R0.1 CC(C)CCBr BBL011503 [1,0,1,0,0,0|2,0,0]=4 59 B5R0.1 CC(C)CCS BBL027486 [1,0,1,0,0,0|2,0,0]=4 60 B5R0.1 CC(O)CCO BBL037424 [1,0,1,0,0,0|2,0,0]=4 61 B5R0.1 CCCC(C)O BBL011460 [1,0,1,0,0,0|1,0,0]=3 62 B5R0.2 BrCCCCBr BBL027293 [1,0,1,0,0,0|2,0,0]=4 63 B5R0.2 CCCCC=O BBL027632 [1,0,1,0,0,0|1,0,1]=4 64 B5R0.2 CCCCCN BBL011398 [1,0,1,0,0,0|0,0,0]=2 65 B5R0.2 CCNCCO BBL027409 [1,0,1,0,0,0|2,0,0]=4 66 B5R0.2 CCOCCBr BBL013472 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.2 CNCCCN BBL011479 [1,0,1,0,0,0|1,0,0]=3 68 B5R0.2 COCCCN BBL011597 [1,0,1,0,0,0|1,0,0]=3 69 B5R0.2 NCCCCN BBL027703 [1,0,1,0,0,0|1,0,0]=3 70 B5R0.3 CCC(=O)CC BBL027755 [1,0,1,0,0,0|1,0,1]=4 71 B5R0.3 CCC(N)CO BBL027677 [1,0,1,0,0,0|1,0,0]=3 72 B7R0.2 CNC(C)CC(C)C BBL023276 [0,1,1,0,0,0|2,0,0]=4 73 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,1,0,0,0|1,0,1]=4 74 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,1,0,0,0|1,0,1]=4 75 B7R0.7 CCCC(N)CCC BBL003306 [0,1,1,0,0,0|0,0,0]=2 76 B7R0.7 CCOC(C)OCC BBL011492 [0,1,1,0,0,0|2,0,0]=4 77 B7R0.4 CCCCCC(C)=O BBL011381 [0,1,1,0,0,0|1,0,1]=4 78 B7R0.1 C=CCCCCCC BBL027759 [0,1,1,0,0,0|1,0,0]=3 79 B7R0.1 CCCCCCCI BBL027321 [0,1,1,0,0,0|1,0,0]=3 80 B7R0.1 CCCCCN=C=S BBL027805 [0,1,1,0,0,0|1,0,1]=4 81 B7R0.1 NCCCCCCN BBL027705 [0,1,1,0,0,0|0,0,0]=2 82 B7R0.1 NCCSSCCN BBL010640 [0,1,1,0,0,0|2,0,0]=4 83 B7R1.1 CNC1CCSC1 BBL035010 [0,1,0,0,1,0|1,0,0]=3 84 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,0,1,0|2,0,0]=4 85 B7R1.4 NC1CCOC1=O BBL027998 [0,1,0,0,1,0|1,0,1]=4 86 B7R1.4 NC1CCSC1=O BBL028068 [0,1,0,0,1,0|1,0,1]=4 87 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,1,0,0,1,0|1,0,0]=3 88 B7R1.4 OC1COCC1O BBL029389 [0,1,0,0,1,0|2,0,0]=4 89 B7R1.14 O=[SH+]1(=[O-])CCCC1 BBL033862 [0,1,0,0,1,0|2,0,0]=4 90 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,0,0,1|1,0,1]=4 91 B9R1.89 BrCC1OCCCCO1 BBL028617 [0,1,0,0,0,1|2,0,0]=4 92 B9R1.1 CCC1CCC(N)CC1 BBL017866 [0,2,0,0,0,0|0,0,0]=2 93 B9R1.1 CN1CCC(CN)CC1 BBL038076 [0,2,0,0,0,0|1,0,0]=3 94 B9R1.2 CN1CCCC(CO)C1 BBL027592 [0,2,0,0,0,0|2,0,0]=4 95 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,2,0,0,0,0|2,0,0]=4 96 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,2,0,0,0,0|1,0,0]=3 97 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,2,0,0,0,0|1,0,0]=3 98 B9R1.8 C=CCN1CCCCC1 BBL011344 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.8 CCCC1CCCCN1 BBL022356 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.8 ClCCC1CCCCN1 BBL031438 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.8 NCCN1CCNCC1 BBL011596 [0,2,0,0,0,0|2,0,0]=4 102 B9R1.8 OCCC1CCCCN1 BBL027554 [0,2,0,0,0,0|2,0,0]=4 103 B9R1.8 S=C=NC1CCCCC1 BBL011352 [0,2,0,0,0,0|0,0,1]=3 104 B9R1.15 CN1CCCCC1CO BBL027589 [0,2,0,0,0,0|2,0,0]=4 105 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.40 C[C@]1(O)CCOC[C@H]1O BBL033512 [0,2,0,0,0,0|2,0,0]=4 107 B7R1.7 CCCCC1CO1 BBL011099 [0,0,1,1,0,0|1,0,0]=3 108 B5R1.2 OC1CNC1 BBL023120 [0,0,0,0,2,0|2,0,0]=4 109 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,0,0,0,0,2|1,0,1]=4