0 B9R0.2 CCCCCCCC(=O)Cl BBL011405 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.2 CCCCCCCC(C)=O BBL011435 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 NC(=O)CCNCCCO BBL022949 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.4 CCCCCCCCCl BBL011474 [1,0,0,0,0,0|1,0,1]=3 4 B8R0.4 CCCCCCCCI BBL027322 [1,0,0,0,0,0|1,0,1]=3 5 B8R0.4 CCCCNCCCC BBL002913 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 CCOCCCN=C=O BBL037673 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.7 CCCCCCC(C)=O BBL011429 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.7 CCCNCCC(N)=O BBL024551 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.7 O=C(O)CCCCCBr BBL012109 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.3 CCOC(=O)CCCC(C)=O BBL027744 [0,1,0,0,0,0|2,0,1]=4 11 B10R0.3 COCC(=O)NCCC(=O)O BBL031291 [0,1,0,0,0,0|2,0,1]=4 12 B10R0.4 CCCCCCCCC(=O)O BBL027459 [0,1,0,0,0,0|0,0,0]=1 13 B10R0.4 CCCCCCCCN(C)C BBL011369 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.6 CCCCNC(=O)CC(C)=O BBL002822 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.74 CCCCCCCC(=O)NN BBL016717 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.74 CCCCCCCC(=O)OC BBL011470 [0,1,0,0,0,0|0,0,0]=1 17 B10R0.74 CNC(=O)CCNCCOC BBL025586 [0,1,0,0,0,0|3,0,0]=4 18 B10R0.75 CCCCCCC(N)C(=O)O BBL010495 [0,1,0,0,0,0|0,0,0]=1 19 B10R0.78 CCCNC(=O)CCC(=O)O BBL036036 [0,1,0,0,0,0|1,0,1]=3 20 B10R0.97 O=C(Cl)CCCCCC(=O)Cl BBL027311 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.18 NC(=O)CN1CCNCC1 BBL030004 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.18 NC(=O)NC1CCCCC1 BBL002996 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.18 O=C(O)CN1CCCCC1 BBL013220 [0,0,0,1,0,0|1,0,0]=2 24 B10R1.18 O=C(O)CN1CCOCC1 BBL001428 [0,0,0,1,0,0|2,0,0]=3 25 B10R1.18 O=C(O)CN1CCSCC1 BBL018071 [0,0,0,1,0,0|2,0,0]=3 26 B10R1.18 S=C([S-])NC1CCCCC1 BBL033928 [0,0,0,1,0,0|1,2,0]=4 27 B10R1.64 O=C(O)CN1CCCC1=O BBL029091 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.66 O=C(Cl)CCC1CCCC1 BBL027339 [0,0,0,1,0,0|1,0,0]=2 29 B10R1.66 O=C(O)CCN1CCCC1 BBL015152 [0,0,0,1,0,0|1,0,0]=2 30 B10R1.66 O=C(O)CNC1=NCCC1 BBL012957 [0,0,0,1,0,0|2,0,1]=4 31 B7R0.1 C=CCCCCCC BBL027759 [2,0,0,0,0,0|0,0,1]=3 32 B7R0.1 CCCCCCCI BBL027321 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.1 NCCCCCCN BBL027705 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.4 CCCCCC(C)=O BBL011381 [2,0,0,0,0,0|1,0,0]=3 35 B7R0.4 CCCCOC(=O)Cl BBL011392 [2,0,0,0,0,0|2,0,0]=4 36 B7R0.4 CCCOCC(=O)O BBL008506 [2,0,0,0,0,0|1,0,0]=3 37 B7R0.4 CCC\C=C/C(=O)O BBL029832 [2,0,0,0,0,0|0,0,2]=4 38 B7R0.4 NCCCCC(=O)O BBL027702 [2,0,0,0,0,0|1,0,0]=3 39 B9R0.45 CCCCCCCCCBr BBL010944 [1,1,0,0,0,0|1,0,1]=4 40 B9R0.45 CCCCCCCCCI BBL011365 [1,1,0,0,0,0|1,0,1]=4 41 B9R0.45 CCCCCCCCCN BBL027706 [1,1,0,0,0,0|1,0,1]=4 42 B9R0.45 NCCCCCCCCN BBL037236 [1,1,0,0,0,0|1,0,1]=4 43 B9R0.1 CCC(C)NCCC(N)=O BBL024550 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.47 CCNCCC(N)C(=O)O BBL009900 [1,1,0,0,0,0|1,0,0]=3 45 B9R0.47 NCCCCC(N)C(=O)O BBL002414 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.55 O=C(O)CCCCC(=O)O BBL011615 [1,1,0,0,0,0|1,0,1]=4 47 B11R0.6 CC(C)=CCCC(C)CC(=O)O BBL027400 [0,2,0,0,0,0|0,0,2]=4 48 B11R0.30 CN(C)CCCNCCC(N)=O BBL023814 [0,2,0,0,0,0|2,0,0]=4 49 B11R0.30 O=C(O)CCCCCCC(=O)O BBL009289 [0,2,0,0,0,0|0,0,1]=3 50 B11R0.40 CCCCCCCCC(=O)NN BBL016680 [0,2,0,0,0,0|1,0,0]=3 51 B11R0.46 CCCCNC(=O)CCC(=O)O BBL036035 [0,2,0,0,0,0|0,0,1]=3 52 B11R0.148 CCCCCCCCCC(=O)Cl BBL011427 [0,2,0,0,0,0|1,0,0]=3 53 B11R0.148 CCCCCCCCCC(C)=O BBL011441 [0,2,0,0,0,0|1,0,0]=3 54 B11R0.148 CCCCCCCCOC(C)=O BBL027760 [0,2,0,0,0,0|1,0,0]=3 55 B11R0.106 COC(=O)CCCCC(=O)OC BBL011467 [0,2,0,0,0,0|1,0,1]=4 56 B9R1.5 O=C1NCCCCC1Br BBL029752 [1,0,0,1,0,0|2,0,0]=4 57 B9R1.8 C=CCN1CCCCC1 BBL011344 [1,0,0,1,0,0|2,0,0]=4 58 B9R1.8 CCCC1CCCCN1 BBL022356 [1,0,0,1,0,0|1,0,1]=4 59 B9R1.8 CCOC1CCC=CO1 BBL027595 [1,0,0,1,0,0|1,0,1]=4 60 B9R1.8 OCCC1CCCCN1 BBL027554 [1,0,0,1,0,0|1,0,1]=4 61 B9R1.15 CN1CCCCC1CO BBL027589 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.15 O=CC1CCCCC1=O BBL032651 [1,0,0,1,0,0|1,0,1]=4 63 B9R1.33 NCCN1CCCC1=O BBL029475 [1,0,0,1,0,0|2,0,0]=4 64 B9R1.33 O=C1CCCN1CCCl BBL028309 [1,0,0,1,0,0|2,0,0]=4 65 B9R1.50 O=C1CCCCCCC1 BBL011399 [1,0,0,1,0,0|0,0,0]=2 66 B9R1.83 CCCCCCC1CO1 BBL027501 [1,0,0,1,0,0|0,0,1]=3 67 B9R1.83 CCCCOCC1CO1 BBL010943 [1,0,0,1,0,0|1,0,1]=4 68 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [1,0,0,1,0,0|2,0,0]=4 69 B9R1.13 O=C(O)CN1CCCC1 BBL012295 [1,0,0,1,0,0|1,0,0]=3 70 B11R1.90 O=C(O)CCN1CCCC1=O BBL013242 [0,1,0,1,0,0|1,0,1]=4 71 B11R1.172 O=C(O)CCNC1=NCCC1 BBL032525 [0,1,0,1,0,0|1,0,1]=4 72 B11R1.172 O=C(O)COCC1CCCO1 BBL030835 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.27 CCCCCC1CCC(=O)O1 BBL027520 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.91 O=C(O)CCC1CCCCC1 BBL001405 [0,1,0,1,0,0|0,0,0]=2 75 B11R1.91 O=C(O)CCN1CCCCC1 BBL001402 [0,1,0,1,0,0|0,0,0]=2 76 B11R1.91 O=C(O)CCN1CCNCC1 BBL029895 [0,1,0,1,0,0|1,0,0]=3 77 B11R1.91 O=C(O)CCN1CCOCC1 BBL004920 [0,1,0,1,0,0|1,0,0]=3 78 B11R1.91 O=C(O)CNC1=NCCCC1 BBL032527 [0,1,0,1,0,0|1,0,1]=4 79 B11R1.742 O=C(O)CN1CCCCCC1 BBL012438 [0,1,0,1,0,0|0,0,0]=2 80 B11R1.77 CC(CC(=O)O)N1CCCC1 BBL026481 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.928 NC1(CC(=O)O)CCCCC1 BBL029660 [0,1,0,1,0,0|0,0,0]=2 82 B11R1.928 NC1(CC(=O)O)CCOCC1 BBL032931 [0,1,0,1,0,0|1,0,0]=3 83 B11R1.928 NC1(CC(=O)O)CCSCC1 BBL033154 [0,1,0,1,0,0|1,0,0]=3 84 B11R1.20 CC1CCN(CC(=O)O)CC1 BBL022222 [0,1,0,1,0,0|1,0,0]=3 85 B11R1.20 CN1CCN(CC(=O)O)CC1 BBL012386 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.20 NC(=O)CN1CCC(N)CC1 BBL012506 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.25 COC(=O)CCN1CCCC1 BBL005333 [0,1,0,1,0,0|1,0,0]=3 88 B11R1.40 C\C(CN1CCCCC1)=N/O BBL029984 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.40 NCC(=O)NC1CCCCC1 BBL012520 [0,1,0,1,0,0|2,0,0]=4 90 B11R1.40 NNC(=O)CC1CCCCC1 BBL014420 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.852 O=C(CCl)N1CCCCCC1 BBL029014 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.737 NC1(C(=O)O)CCCCCC1 BBL020458 [0,1,0,1,0,0|0,0,0]=2 93 B11R2.845 CC(=O)C1CC2CCC1C2 BBL017867 [0,0,0,2,0,0|1,0,0]=3 94 B11R2.432 CN1C2CCC1CC(=O)C2 BBL033682 [0,0,0,2,0,0|2,0,0]=4