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|4,0,0]=4 2 B6R0.1 CCOC(=O)CBr BBL027288 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.1 CCOC(=O)CCl BBL012578 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.1 CCOC(=O)CS BBL011508 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)NN BBL027647 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CNCC(=O)NC BBL030504 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CNCC(C)OC BBL003985 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 COC(=O)CCBr BBL027291 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 COC(=O)CCN BBL010085 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 COCC(=O)NN BBL013411 [0,0,0,0,0,0|2,1,0]=3 11 B6R0.1 N#CCC(=O)NN BBL010619 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 C=C(C)CCO BBL027415 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.1 C=COC(C)=O BBL036266 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CCCC(C)O BBL011460 [1,0,0,0,0,0|1,0,2]=4 17 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|1,0,0]=2 20 B5R0.1 CNCC(N)=O BBL011928 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 COCC(=O)Cl BBL027308 [1,0,0,0,0,0|1,1,0]=3 22 B5R0.1 CSCC(C)=O BBL100878 [1,0,0,0,0,0|0,0,0]=1 23 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.1 NC(=O)CCCl BBL011453 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 NCCC(=O)O BBL037332 [1,0,0,0,0,0|2,0,0]=3 27 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 O=C(O)CCCl BBL012215 [1,0,0,0,0,0|2,0,0]=3 29 B5R0.2 COCCCN BBL011597 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 C=CC(=O)OC BBL011432 [1,0,0,0,0,0|0,0,2]=3 31 B5R0.3 CCC(=O)CC BBL027755 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.3 CCC(=O)NN BBL036933 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.3 CCC(=O)NO BBL011342 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.3 CNC(=O)NC BBL011513 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 COC(=O)CO BBL009725 [1,0,0,0,0,0|0,1,0]=2 36 B5R0.3 COC(=O)CS BBL011360 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.3 COC(=O)NN BBL027646 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.2 COC(=O)CC(C)=O BBL011420 [0,1,0,0,0,0|1,0,0]=2 41 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CCCCC(=O)NN BBL027902 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.3 CCOCC(=O)NN BBL023356 [0,1,0,0,0,0|2,1,0]=4 45 B7R0.3 CNC(=O)CCCN BBL022745 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 CNCCC(=O)NC BBL023441 [0,1,0,0,0,0|2,0,0]=3 47 B7R0.3 COC(=O)CCCCl BBL011535 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.3 COC(=O)\C=C\CBr BBL011112 [0,1,0,0,0,0|1,0,1]=3 49 B7R0.3 CO\C=C\C(=O)OC BBL028237 [0,1,0,0,0,0|0,1,1]=3 50 B7R0.3 NNC(=O)CCCO BBL009673 [0,1,0,0,0,0|3,0,0]=4 51 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,0,0,0,0|3,0,0]=4 53 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.7 CCOC(=O)CC#N BBL012203 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.7 CCOC(=O)CNN BBL012499 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,1,0,0,0,0|1,0,1]=3 59 B7R0.10 CNC(=O)C(=O)NC BBL012545 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.10 COC(=O)C(=O)NN BBL011144 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.10 COC(=O)C(=O)OC BBL011507 [0,1,0,0,0,0|0,1,1]=3 62 B7R0.10 COC(=O)C(N)CO BBL028002 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.10 COC(C)C(=O)NN BBL023722 [0,1,0,0,0,0|2,1,0]=4 64 B7R0.12 CNCC(OC)OC BBL027717 [0,1,0,0,0,0|1,0,2]=4 65 B7R1.1 CNC1CCSC1 BBL035010 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.2 O=C1CCC(=O)C1 BBL011146 [0,0,0,1,0,0|3,0,0]=4 69 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 O=C1CCOCC1 BBL027597 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,0,0,1,0,0|3,0,0]=4 72 B4R0.1 C#CC(=O)O BBL011346 [2,0,0,0,0,0|0,0,2]=4 73 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|0,1,0]=3 75 B4R0.1 CC(=O)NN BBL018600 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|0,0,2]=4 77 B4R0.1 CNC(N)=O BBL013131 [2,0,0,0,0,0|2,0,0]=4 78 B4R0.1 COC(=N)N BBL009722 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.1 COC(=O)Cl BBL011482 [2,0,0,0,0,0|1,0,0]=3 80 B4R0.1 COC(N)=O BBL011430 [2,0,0,0,0,0|1,0,0]=3 81 B4R0.1 CSC(=N)N BBL013049 [2,0,0,0,0,0|2,0,0]=4 82 B4R0.1 O=C(Br)CBr BBL027286 [2,0,0,0,0,0|2,0,0]=4 83 B4R0.1 O=C(Cl)CCl BBL013127 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|1,0,0]=3 85 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|1,0,1]=4 86 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|1,1,0]=4 88 B6R0.2 CC(C)CC(=O)Cl BBL027310 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.2 CC(C)CC(=O)O BBL027399 [1,1,0,0,0,0|1,0,0]=3 90 B6R0.2 CC(O)CC(=O)O BBL027467 [1,1,0,0,0,0|1,0,0]=3 91 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|1,0,0]=3 92 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.3 CNC(C)C(=O)O BBL022510 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 COC(=O)C(C)=O BBL027724 [1,1,0,0,0,0|0,1,1]=4 95 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.3 NC(CO)C(=O)O BBL012102 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.3 NC(CS)C(=O)O BBL012104 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.4 C=CCCC(=O)O BBL027458 [1,1,0,0,0,0|1,0,1]=4 99 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|2,0,0]=4 101 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|2,0,0]=4 102 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.4 CNCCC(N)=O BBL023425 [1,1,0,0,0,0|2,0,0]=4 104 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|1,0,0]=3 105 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,1,0,0,0,0|2,0,0]=4 106 B6R0.8 COS(=O)(=O)OC BBL034656 [1,1,0,0,0,0|1,1,0]=4 107 B8R0.2 COC(=O)C(N)C(C)C BBL010086 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.5 CC(C)OC(=O)CC#N BBL009730 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,2,0,0,0,0|2,0,0]=4 110 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,2,0,0,0,0|1,0,0]=3 111 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.19 CCC(=O)CC(C)CC BBL011426 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.19 COC(=O)CC(=O)CCl BBL027316 [0,2,0,0,0,0|1,0,0]=3 114 B8R0.19 COC(=O)CC(=O)OC BBL011438 [0,2,0,0,0,0|0,1,0]=3 115 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.1 CCOC(=O)CN=C=O BBL027369 [0,2,0,0,0,0|1,0,1]=4 117 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,2,0,0,0,0|1,0,1]=4 118 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.6 CCCCCC(=O)CC BBL011431 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.6 COC(=O)CCN=C=O BBL029020 [0,2,0,0,0,0|1,0,1]=4 122 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,2,0,0,0,0|2,0,0]=4 123 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,2,0,0,0,0|2,0,0]=4 124 B8R0.9 COC(=O)CCC(C)=O BBL011529 [0,2,0,0,0,0|1,0,0]=3 125 B8R0.13 CCC(C)(N)C(=O)OC BBL020844 [0,2,0,0,0,0|1,0,0]=3 126 B6R1.2 O=C1C=CCC1 BBL100014 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 O=C1CCSC1 BBL027522 [1,0,0,1,0,0|0,0,0]=2 128 B6R1.2 O=C1OCCO1 BBL011402 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.11 O=C(Cl)C1CC1 BBL011354 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.5 CC1CCCCC1=O BBL011421 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.50 O=C1COC(=O)C1Cl BBL011023 [0,1,0,1,0,0|2,0,0]=4