0 B7R0.1 C=CCCCCCC BBL027759 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.1 C=CCNCCC#N BBL023289 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 CCCCCCCI BBL027321 [0,0,0,0,0,0|1,0,1]=2 3 B7R0.1 CCCCCN=C=S BBL027805 [0,0,0,0,0,0|1,1,1]=3 4 B7R0.1 COCCCN=C=O BBL037672 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.1 COCCCN=C=S BBL027870 [0,0,0,0,0,0|2,1,1]=4 6 B7R0.1 COCCNCC#N BBL031674 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.1 N#CCCNCCO BBL023284 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.1 N#CCCOCCCl BBL024982 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.1 NCCCCCCN BBL027705 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 BrCCCCCBr BBL012205 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,1]=3 17 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.6 NCCCCCN BBL027704 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.6 NCCNCCN BBL005239 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 NCCNCCO BBL027690 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 NCCOCCO BBL011501 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 NCCSCCO BBL028287 [1,0,0,0,0,0|2,0,1]=4 23 B8R0.4 CCCCCCCCCl BBL011474 [0,1,0,0,0,0|1,0,1]=3 24 B8R0.4 CCCCCCCCI BBL027322 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.4 CCCCNCCCC BBL002913 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.4 CCOCCCN=C=O BBL037673 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.4 COCCNCCC#N BBL024553 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.4 COCCNCCOC BBL011287 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.6 CCC(C)NCCC#N BBL023160 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.6 CCCCCC(=O)NN BBL014328 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.7 CC(C)CNCCCO BBL030005 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.7 CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|0,0,0]=1 34 B8R0.7 CCCNCCC(N)=O BBL024551 [0,1,0,0,0,0|1,0,0]=2 35 B8R0.7 CCCS\C=C/C(=O)[O-] BBL033998 [0,1,0,0,0,0|1,0,2]=4 36 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.2 BrCC1CCCCO1 BBL027774 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.2 CCC1CCCCN1 BBL100012 [0,0,0,1,0,0|1,0,1]=3 39 B8R1.2 CNC1CCSCC1 BBL032171 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.2 COC1CCNCC1 BBL025762 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.2 ClCC1CCCCO1 BBL027598 [0,0,0,1,0,0|1,0,2]=4 42 B8R1.2 N#CC1CCOCC1 BBL018006 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|0,0,0]=1 44 B8R1.5 NC1CCCCC1N BBL027344 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.5 OC1CCCCC1O BBL027442 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.8 ClCCN1CCCC1 BBL005577 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.8 NCCN1CCCC1 BBL037752 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.8 O=C=NC1CCCC1 BBL036935 [0,0,0,1,0,0|1,0,1]=3 50 B8R1.8 OCCN1CCCC1 BBL027420 [0,0,0,1,0,0|1,0,2]=4 51 B8R1.8 S=C=NC1CCCC1 BBL027955 [0,0,0,1,0,0|1,1,1]=4 52 B8R1.22 CN1CCCNCC1 BBL004956 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,0]=2 55 B5R0.2 BrCCCCBr BBL027293 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,0]=2 57 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,0]=3 58 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.2 CNCCCN BBL011479 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.2 NCCCCN BBL027703 [2,0,0,0,0,0|2,0,0]=4 63 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,0,2]=4 64 B7R0.4 C=CCNCC(C)C BBL000393 [1,1,0,0,0,0|1,0,1]=4 65 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,0]=2 66 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,1,0,0,0,0|1,0,0]=3 67 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,1,0,0,0,0|0,0,2]=4 69 B7R0.4 NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,2]=4 71 B7R0.7 CCCC(N)CCC BBL003306 [1,1,0,0,0,0|0,0,1]=3 72 B9R0.18 CCCCC(=O)CCCC BBL011668 [0,2,0,0,0,0|1,0,1]=4 73 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|1,0,1]=4 74 B9R0.2 CCCCCCCC(=O)Cl BBL011405 [0,2,0,0,0,0|0,0,0]=2 75 B9R0.2 CCCCCCCC(C)=O BBL011435 [0,2,0,0,0,0|0,0,0]=2 76 B9R0.2 NC(=O)CCNCCCO BBL022949 [0,2,0,0,0,0|1,0,0]=3 77 B9R0.45 CCCCCCCCCBr BBL010944 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.45 CCCCCCCCCI BBL011365 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.45 CCCCCCCCCN BBL027706 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.45 NCCCCCCCCN BBL037236 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.46 CCCCCCC(=O)NN BBL037406 [0,2,0,0,0,0|0,0,0]=2 82 B9R0.46 CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|0,0,0]=2 83 B9R0.1 CCC(C)NCCC(N)=O BBL024550 [0,2,0,0,0,0|1,0,0]=3 84 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.55 O=C(O)CCCCC(=O)O BBL011615 [0,2,0,0,0,0|1,0,1]=4 87 B7R1.1 OCC1CCCN1 BBL021035 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.3 NN1CCCCC1 BBL027587 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 OC1CCCCC1 BBL013186 [1,0,0,1,0,0|0,0,1]=3 92 B7R1.4 NC1CCOC1=O BBL027998 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.4 NC1CCSC1=O BBL028068 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.7 CCCCC1CO1 BBL011099 [1,0,0,1,0,0|0,0,1]=3 95 B9R1.8 C=CCN1CCCCC1 BBL011344 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.8 CCCC1CCCCN1 BBL022356 [0,1,0,1,0,0|1,0,1]=4 97 B9R1.8 CCOC1CCC=CO1 BBL027595 [0,1,0,1,0,0|0,0,2]=4 98 B9R1.8 ClCCC1CCCCN1 BBL031438 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.8 OCCC1CCCCN1 BBL027554 [0,1,0,1,0,0|0,0,2]=4 100 B9R1.8 S=C=NC1CCCCC1 BBL011352 [0,1,0,1,0,0|0,1,1]=4 101 B9R1.12 CCCNC1CCCC1 BBL022960 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.12 CNCCN1CCCC1 BBL030887 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.12 O=C=NCC1CCCO1 BBL037674 [0,1,0,1,0,0|1,0,1]=4 104 B9R1.15 CN1CCCCC1CO BBL027589 [0,1,0,1,0,0|0,0,2]=4 105 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.33 NCCN1CCCC1=O BBL029475 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.33 O=C1CCCN1CCCl BBL028309 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|0,0,0]=2 109 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.14 CCN1CCCC1CN BBL004461 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.83 CCCCCCC1CO1 BBL027501 [0,1,0,1,0,0|0,0,2]=4 112 B9R1.83 CCCCOCC1CO1 BBL010943 [0,1,0,1,0,0|0,0,2]=4 113 B9R1.1 CCC1CCC(N)CC1 BBL017866 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.11 CCC(C)C1CCCN1 BBL020739 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,1,0,1,0,0|1,0,0]=3 118 B9R1.6 O=C(Cl)N1CCOCC1 BBL027926 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.13 O=C(O)CN1CCCC1 BBL012295 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.40 CC1(C)NCCNC1=O BBL013287 [0,1,0,1,0,0|2,0,0]=4