0 B6R0.1 C=CC(=O)OCC BBL011497 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCC\C(N)=N\O BBL005361 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CNCC(C)OC BBL003985 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CNCC(O)CO BBL028168 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 C=C(C)CCO BBL027415 [1,0,0,0,0,0|1,0,1]=3 5 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CC(C)CC=O BBL027631 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(C)CCBr BBL011503 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 CC(C)CCS BBL027486 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CC(O)CCO BBL037424 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|1,0,1]=3 11 B5R0.1 CCCC(C)O BBL011460 [1,0,0,0,0,0|0,0,1]=2 12 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(N)=O BBL011928 [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 COCC(=O)Cl BBL027308 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CSCC(C)=O BBL100878 [1,0,0,0,0,0|1,0,1]=3 18 B5R0.1 NC(=O)CCCl BBL011453 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 NCCC(=O)O BBL037332 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 O=C(O)CCCl BBL012215 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 BrCCCCBr BBL027293 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|0,0,0]=1 24 B5R0.2 CCCCCN BBL011398 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 CCNCCO BBL027409 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 CCOCCBr BBL013472 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 CNCCC#N BBL011478 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 CNCCCN BBL011479 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 COCCCN BBL011597 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.2 NCCCCN BBL027703 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.2 O=C=NCCCl BBL027370 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.3 CCC(N)CO BBL027677 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.2 CNC(C)CC(C)C BBL023276 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 CC(=O)N(C)CCO BBL003665 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.7 CCCC(N)CCC BBL003306 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.7 CCOC(C)OCC BBL011492 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.12 CNCC(OC)OC BBL027717 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.1 CNC1CCSC1 BBL035010 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.1 OCC1CCCN1 BBL021035 [0,0,0,1,0,0|1,0,2]=4 44 B7R1.3 OC1CCCCC1 BBL013186 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.4 NC1CCOC1=O BBL027998 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.4 NC1CCSC1=O BBL028068 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.4 NC1CONC1=O BBL016489 [0,0,0,1,0,0|3,0,0]=4 48 B7R1.22 C\C(=N/O)C1CC1 BBL028988 [0,0,0,1,0,0|1,0,2]=4 49 B7R1.25 CC1(CO)COC1 BBL027778 [0,0,0,1,0,0|1,0,2]=4 50 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.1 CC(C)C=O BBL034648 [2,0,0,0,0,0|0,0,0]=2 53 B4R0.1 CC(C)CBr BBL036259 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.1 CC(N)CN BBL027674 [2,0,0,0,0,0|2,0,0]=4 55 B4R0.1 CC(O)CCl BBL011446 [2,0,0,0,0,0|1,0,1]=4 56 B4R0.1 CC(O)CN BBL027685 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.1 CC(O)CO BBL011472 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|0,0,1]=3 59 B4R0.2 BrCCCBr BBL011375 [2,0,0,0,0,0|2,0,0]=4 60 B4R0.2 CCCCCl BBL012221 [2,0,0,0,0,0|1,0,0]=3 61 B4R0.2 CCCCI BBL027320 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,0]=3 63 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|1,0,1]=4 65 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|0,0,2]=4 66 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|1,0,1]=4 70 B6R0.2 CC(C)CC(=O)Cl BBL027310 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.2 CC(C)CC(=O)O BBL027399 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.2 CC(O)CC(=O)O BBL027467 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|0,0,1]=3 76 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.4 CC(C)OCCCl BBL030951 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|0,0,1]=3 80 B6R0.4 CN(C)CCCO BBL011401 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.4 CNCCC(N)=O BBL023425 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.5 CCCS(=O)(=O)Cl BBL027643 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.5 CNCC(C)(C)C BBL023208 [1,1,0,0,0,0|1,0,1]=4 86 B6R0.6 BrCCCCCBr BBL012205 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.6 CCCCCCBr BBL012217 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.6 CCCCCCI BBL011465 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.6 CCCCCCN BBL011106 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.6 CCCCN=C=O BBL027371 [1,1,0,0,0,0|0,0,1]=3 91 B6R0.6 CCCCOC=O BBL012218 [1,1,0,0,0,0|0,0,0]=2 92 B6R0.6 CCCNCCC BBL027756 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.6 CCOCCCN BBL027700 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.6 NCCCCCN BBL027704 [1,1,0,0,0,0|1,0,1]=4 95 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.23 CC(=O)NC(C)C(=O)O BBL007614 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,2,0,0,0,0|1,0,0]=3 100 B8R0.34 C#CC(C)(O)CC(C)C BBL027736 [0,2,0,0,0,0|1,0,1]=4 101 B8R0.34 CN(C)CC(C)(C)C=O BBL027989 [0,2,0,0,0,0|1,0,0]=3 102 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,2,0,0,0,0|0,0,0]=2 105 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,2,0,0,0,0|1,0,0]=3 106 B8R0.11 CCCCC(C=O)CC BBL010642 [0,2,0,0,0,0|0,0,0]=2 107 B8R0.25 C#CC(C)(O)CCCC BBL028010 [0,2,0,0,0,0|1,0,1]=4 108 B8R0.22 C=CC(OCC)OCC BBL027746 [0,2,0,0,0,0|2,0,0]=4 109 B6R1.2 NC1CCCC1 BBL036999 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.2 O=C1CCSC1 BBL027522 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.11 O=C(Cl)C1CC1 BBL011354 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|0,0,0]=2 113 B8R1.4 CC1CCNC(C)C1 BBL038129 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.2 CNC1CCSCC1 BBL032171 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.2 COC1CCNCC1 BBL025762 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.2 N#CC1CCOCC1 BBL018006 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.3 CC1CCC(N)CC1 BBL036898 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.3 CC1CNC(C)CN1 BBL027547 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|0,0,0]=2 123 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|1,0,0]=3 124 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 O=C(O)C1NCCS1 BBL034715 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.7 S=C([S-])N1CCCC1 BBL033985 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.23 C=C1CC(C(=O)O)C1 BBL104102 [0,1,0,1,0,0|0,0,2]=4 129 B8R1.23 O=C1CC(C(=O)O)C1 BBL011270 [0,1,0,1,0,0|1,0,1]=4 130 B8R1.78 NC1(C(=O)O)CCC1 BBL001782 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.8 O=C=NC1CCCC1 BBL036935 [0,1,0,1,0,0|0,0,1]=3 132 B8R1.8 S=C=NC1CCCC1 BBL027955 [0,1,0,1,0,0|0,1,1]=4