0 B8R1.7 CC(C)C1CCCN1 BBL020618 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.7 O=C(O)C1=NN=CN1 BBL033501 [0,0,0,0,0,0|2,0,2]=4 4 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.7 O=C(O)C1NCCS1 BBL034715 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.7 S=C([S-])N1CCCC1 BBL033985 [0,0,0,0,0,0|2,2,0]=4 7 B7R1.1 OCC1CCCN1 BBL021035 [1,0,0,0,0,0|0,0,1]=2 8 B9R1.11 CCC(C)C1CCCN1 BBL020739 [0,1,0,0,0,0|2,0,1]=4 9 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,0,0,0|1,0,0]=2 10 B9R1.11 NCC(=O)N1CCCC1 BBL030890 [0,1,0,0,0,0|3,0,0]=4 11 B9R1.11 NNC(=O)C1CCCC1 BBL017250 [0,1,0,0,0,0|2,0,0]=3 12 B9R1.11 NNC(=O)C1CCCO1 BBL029618 [0,1,0,0,0,0|2,0,0]=3 13 B9R1.11 N\C(=N/O)C1CCCC1 BBL036570 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.35 O=C(O)C1CC(O)CN1 BBL001541 [0,1,0,0,0,0|0,0,0]=1 15 B9R1.35 O=C1CCC(C(=O)O)N1 BBL011576 [0,1,0,0,0,0|0,0,1]=2 16 B7R0.4 CCCCCC(C)=O BBL011381 [0,0,1,0,0,0|2,0,0]=3 17 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,0,1,0,0,0|3,0,0]=4 18 B7R0.4 CCCOCC(=O)O BBL008506 [0,0,1,0,0,0|1,0,0]=2 19 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,0,1,0,0,0|1,0,1]=3 20 B7R0.4 NCCCCC(=O)O BBL027702 [0,0,1,0,0,0|0,0,0]=1 21 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,0,1,0,0,0|1,0,1]=3 22 B7R0.15 CCC(CC)C(=O)O BBL018400 [0,0,1,0,0,0|1,0,0]=2 23 B7R0.15 CCC(NC)C(=O)O BBL022845 [0,0,1,0,0,0|0,0,0]=1 24 B7R0.15 COC(OC)C(C)=O BBL011442 [0,0,1,0,0,0|3,0,0]=4 25 B7R1.18 O=C(O)C1CNC1 BBL101508 [0,0,0,0,1,0|1,0,0]=2 26 B9R1.6 CC(C)C1CCCCN1 BBL021290 [0,0,0,0,0,1|2,0,1]=4 27 B9R1.6 CC(N)C1CCCCN1 BBL037755 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.6 NC(=O)C1CCCCN1 BBL030368 [0,0,0,0,0,1|1,0,0]=2 29 B9R1.6 O=C(Cl)N1CCOCC1 BBL027926 [0,0,0,0,0,1|3,0,0]=4 30 B9R1.13 O=C(O)CN1CCCC1 BBL012295 [0,0,0,0,0,1|2,0,0]=3 31 B6R0.4 C=CCCC(=O)O BBL027458 [1,0,1,0,0,0|0,0,2]=4 32 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,1,0,0,0|2,0,0]=4 33 B6R0.4 CC(=O)NCCN BBL027688 [1,0,1,0,0,0|2,0,0]=4 34 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,1,0,0,0|1,0,0]=3 35 B6R0.4 CCCCC(C)=O BBL011434 [1,0,1,0,0,0|1,0,0]=3 36 B6R0.4 CNCCC(N)=O BBL023425 [1,0,1,0,0,0|2,0,0]=4 37 B6R0.4 NCCCC(=O)O BBL008590 [1,0,1,0,0,0|0,0,0]=2 38 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,0,1,0,0,0|2,0,0]=4 39 B6R0.6 CCCCCCN BBL011106 [1,0,1,0,0,0|1,0,1]=4 40 B6R0.6 CCCCOC=O BBL012218 [1,0,1,0,0,0|2,0,0]=4 41 B6R0.6 CCCNCCC BBL027756 [1,0,1,0,0,0|1,0,1]=4 42 B6R0.6 NCCCCCN BBL027704 [1,0,1,0,0,0|1,0,1]=4 43 B6R0.6 NCCNCCO BBL027690 [1,0,1,0,0,0|1,0,1]=4 44 B6R0.6 NCCOCCO BBL011501 [1,0,1,0,0,0|1,0,1]=4 45 B6R0.6 NCCSCCO BBL028287 [1,0,1,0,0,0|1,0,1]=4 46 B6R0.1 CCC\C(N)=N\O BBL005361 [1,0,1,0,0,0|1,0,1]=4 47 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,0,1,0,0,0|1,0,0]=3 48 B6R0.3 CCC(N)C(=O)O BBL012213 [1,0,1,0,0,0|0,0,0]=2 49 B6R0.3 CNC(C)C(=O)O BBL022510 [1,0,1,0,0,0|0,0,0]=2 50 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,0,1,0,0,0|0,0,2]=4 51 B6R0.3 NC(CO)C(=O)O BBL012102 [1,0,1,0,0,0|1,0,0]=3 52 B6R0.3 NC(CS)C(=O)O BBL012104 [1,0,1,0,0,0|1,0,0]=3 53 B6R1.2 NC1CCCC1 BBL036999 [2,0,0,0,0,0|2,0,0]=4 54 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,1,1,0,0,0|2,0,0]=4 55 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,1,0,0,0|2,0,0]=4 56 B8R0.6 CCCCCC(=O)NN BBL014328 [0,1,1,0,0,0|2,0,0]=4 57 B8R0.7 CCCCCCC(C)=O BBL011429 [0,1,1,0,0,0|2,0,0]=4 58 B8R0.7 CCCNCCC(N)=O BBL024551 [0,1,1,0,0,0|1,0,0]=3 59 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,1,1,0,0,0|1,0,0]=3 60 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,1,1,0,0,0|1,0,0]=3 61 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,1,1,0,0,0|1,0,0]=3 62 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,1,0,0,0|1,0,0]=3 63 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,1,1,0,0,0|2,0,0]=4 64 B8R0.9 NCC(=O)NCC(=O)O BBL018705 [0,1,1,0,0,0|1,0,1]=4 65 B8R0.9 O=C(O)CNC(=O)CCl BBL027867 [0,1,1,0,0,0|1,0,1]=4 66 B8R0.28 CC(C)CNCC(C)O BBL030081 [0,1,1,0,0,0|1,0,1]=4 67 B8R0.28 CC(O)CNCC(C)O BBL013266 [0,1,1,0,0,0|1,0,1]=4 68 B8R0.28 CN(C)CCCC(=O)O BBL011871 [0,1,1,0,0,0|2,0,0]=4 69 B8R0.28 O=C(O)CNCC(=O)O BBL027454 [0,1,1,0,0,0|1,0,1]=4 70 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [0,1,1,0,0,0|0,0,0]=2 71 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [0,1,1,0,0,0|1,0,0]=3 72 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [0,1,1,0,0,0|0,0,1]=3 73 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,1,1,0,0,0|1,0,0]=3 74 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,1,1,0,0,0|1,0,1]=4 75 B8R0.23 CC(NC(N)=O)C(=O)O BBL027929 [0,1,1,0,0,0|1,0,1]=4 76 B8R0.23 NC(CC(=O)O)C(=O)O BBL002458 [0,1,1,0,0,0|1,0,1]=4 77 B8R0.18 CCC(C(=O)O)C(=O)O BBL019763 [0,1,1,0,0,0|2,0,0]=4 78 B8R0.20 CCC(CC)C(=O)NN BBL037609 [0,1,1,0,0,0|2,0,0]=4 79 B8R1.8 O=C=NC1CCCC1 BBL036935 [1,1,0,0,0,0|1,0,1]=4 80 B8R1.23 C=C1CC(C(=O)O)C1 BBL104102 [0,1,0,0,1,0|0,0,1]=3 81 B8R1.23 O=C1CC(C(=O)O)C1 BBL011270 [0,1,0,0,1,0|0,0,1]=3 82 B8R1.38 NNC(=O)C1CCC1 BBL037010 [0,1,0,0,1,0|1,0,0]=3 83 B8R1.78 NC1(C(=O)O)CCC1 BBL001782 [0,1,0,0,1,0|0,0,0]=2 84 B10R1.13 O=C1CCC(C(=O)O)=NN1 BBL012242 [0,1,0,0,0,1|0,0,2]=4 85 B10R1.15 CNC(=O)C1CCCCN1 BBL031505 [0,1,0,0,0,1|1,0,0]=3 86 B10R1.15 NNC(=O)C1CCCCC1 BBL014284 [0,1,0,0,0,1|2,0,0]=4 87 B10R1.113 NC1CCCC(C(=O)O)C1 BBL028080 [0,1,0,0,0,1|1,0,0]=3 88 B10R1.363 NC1(C(=O)O)CCCCC1 BBL001486 [0,1,0,0,0,1|1,0,0]=3 89 B10R1.23 O=C(O)C(=O)N1CCCC1 BBL022583 [0,1,0,0,0,1|2,0,0]=4 90 B10R1.27 N\C(CC1CCCC1)=N\O BBL024691 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.64 O=C(O)CN1CCCC1=O BBL029091 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.149 COC(=O)C1CCCC1=O BBL027341 [0,2,0,0,0,0|1,0,0]=3 93 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BBL012835 [0,2,0,0,0,0|2,0,0]=4 94 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,1,1,0,0|2,0,0]=4 95 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,1,1,0,0|1,0,0]=3 96 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,0,1,1,0,0|2,0,0]=4 98 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,0,0,0,2,0|1,0,0]=3 99 B8R1.2 CCC1CCCCN1 BBL100012 [1,0,0,0,0,1|1,0,1]=4 100 B10R1.18 NC(=O)NC1CCCCC1 BBL002996 [0,0,0,0,0,2|2,0,0]=4 101 B10R1.18 O=C(O)CN1CCCCC1 BBL013220 [0,0,0,0,0,2|2,0,0]=4 102 B10R1.18 O=C(O)CN1CCOCC1 BBL001428 [0,0,0,0,0,2|2,0,0]=4 103 B10R1.18 O=C(O)CN1CCSCC1 BBL018071 [0,0,0,0,0,2|2,0,0]=4 104 B10R1.66 O=C(Cl)CCC1CCCC1 BBL027339 [0,0,0,0,0,2|2,0,0]=4 105 B10R1.66 O=C(O)CCN1CCCC1 BBL015152 [0,0,0,0,0,2|2,0,0]=4 106 B10R1.66 O=C(O)CNC1=NCCC1 BBL012957 [0,0,0,0,0,2|0,0,2]=4 107 B10R1.66 O=C(O)CSC1=NCCN1 BBL000038 [0,0,0,0,0,2|1,0,1]=4