0 B6R0.1 C=CC(=O)OCC BBL011497 [0,0,0,0,0,0|0,0,0]=0 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|1,0,1]=2 3 B6R0.1 CCOC(=O)CCl BBL012578 [0,0,0,0,0,0|1,0,1]=2 4 B6R0.1 CCOC(=O)CS BBL011508 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 CCOC(=O)NN BBL027647 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.1 CNCC(=O)NC BBL030504 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 COC(=O)CCBr BBL027291 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 COC(=O)CCN BBL010085 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 COCC(=O)NN BBL013411 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 C=C(C)CCO BBL027415 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.1 C=COC(C)=O BBL036266 [1,0,0,0,0,0|0,0,3]=4 12 B5R0.1 CC(=O)CCO BBL028076 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CCCC(=O)Cl BBL011417 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCC[N+](=O)[O-] BBL011437 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCOC(=O)Cl BBL011487 [1,0,0,0,0,0|1,0,0]=2 16 B5R0.1 CNCC(=O)O BBL009707 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CNCC(N)=O BBL011928 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 COCC(=O)Cl BBL027308 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.1 CSCC(C)=O BBL100878 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 C\C=C\C(=O)Cl BBL011366 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 NC(=O)CCCl BBL011453 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 NCCC(=O)O BBL037332 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 O=C(Cl)CCBr BBL011521 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 O=C(O)CCCl BBL012215 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.2 CCCCC=O BBL027632 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.2 CCOCCBr BBL013472 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.3 C=CC(=O)OC BBL011432 [1,0,0,0,0,0|0,0,0]=1 29 B5R0.3 CCC(=O)CC BBL027755 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.3 CCC(=O)NN BBL036933 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 CCC(=O)NO BBL011342 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 CNC(=O)NC BBL011513 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.3 COC(=O)CO BBL009725 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.3 COC(=O)CS BBL011360 [1,0,0,0,0,0|1,0,1]=3 35 B5R0.3 COC(=O)NN BBL027646 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.2 CC(C)CC(=O)NN BBL016229 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.2 CC(C)NC(=O)CN BBL030729 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.2 CC(O)CC(=O)NN BBL008678 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.2 COC(=O)CC(C)C BBL011395 [0,1,0,0,0,0|2,0,1]=4 40 B7R0.3 CCCCC(=O)CC BBL011476 [0,1,0,0,0,0|1,0,2]=4 41 B7R0.3 CCCCC(=O)NN BBL027902 [0,1,0,0,0,0|3,0,0]=4 42 B7R0.3 CCOCC(=O)NN BBL023356 [0,1,0,0,0,0|2,0,0]=3 43 B7R0.3 CNC(=O)CCCN BBL022745 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.3 CNCCC(=O)NC BBL023441 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 COC(=O)CCCCl BBL011535 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.3 NNC(=O)CCCO BBL009673 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,1,0,0,0,0|0,0,1]=2 51 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,1,0,0,0,0|1,0,1]=3 52 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,1,0,0,0,0|1,0,0]=2 53 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,1,0,0,0,0|0,0,2]=3 54 B7R0.7 CCCC(=O)CCC BBL009715 [0,1,0,0,0,0|1,0,2]=4 55 B7R0.7 CCNC(=O)CCCl BBL037203 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.7 CCOC(=O)CC#N BBL012203 [0,1,0,0,0,0|0,0,2]=3 57 B7R0.7 CCOC(=O)CNN BBL012499 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,1,0,0,0,0|0,0,0]=1 59 B7R1.2 CC1=NN(C)C=C1 BBL038742 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.2 CC1CCC(=O)O1 BBL011475 [0,0,0,1,0,0|0,0,2]=3 61 B7R1.2 CC1COC(=O)O1 BBL027518 [0,0,0,1,0,0|1,0,1]=3 62 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.3 O=C1CCCCN1 BBL027557 [0,0,0,1,0,0|1,0,2]=4 64 B7R1.4 NC1CCOC1=O BBL027998 [0,0,0,1,0,0|1,0,1]=3 65 B7R1.4 NC1CCSC1=O BBL028068 [0,0,0,1,0,0|1,1,1]=4 66 B7R1.22 NNC(=O)C1CC1 BBL008116 [0,0,0,1,0,0|3,0,0]=4 67 B4R0.1 C#CC(=O)O BBL011346 [2,0,0,0,0,0|0,0,2]=4 68 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,1]=4 69 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|1,0,1]=4 70 B4R0.1 CC(=O)NN BBL018600 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 CNC(N)=O BBL013131 [2,0,0,0,0,0|2,0,0]=4 72 B4R0.1 COC(=N)N BBL009722 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 COC(=O)Cl BBL011482 [2,0,0,0,0,0|1,0,0]=3 74 B4R0.1 COC(N)=O BBL011430 [2,0,0,0,0,0|1,0,0]=3 75 B4R0.1 O=C(Br)CBr BBL027286 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.1 O=C(Cl)CCl BBL013127 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 O=C(O)CCl BBL037260 [2,0,0,0,0,0|1,0,1]=4 78 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|1,0,1]=4 79 B4R0.2 C\C=C\CO BBL027414 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.2 CC(C)CC(=O)Cl BBL027310 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.2 CC(C)CC(=O)O BBL027399 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.2 CC(C)OC(=S)[S-] BBL011317 [1,1,0,0,0,0|1,1,0]=4 83 B6R0.2 CC(O)CC(=O)O BBL027467 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.4 C#CCOC(=O)Cl BBL028473 [1,1,0,0,0,0|1,0,1]=4 87 B6R0.4 C=CCOC(=O)Cl BBL011109 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.4 CC(=O)CCCCl BBL010617 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.4 CC(=O)NCCN BBL027688 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.4 CCCCC(=O)Cl BBL012216 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.4 CCCCC(C)=O BBL011434 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.4 CNCCC(N)=O BBL023425 [1,1,0,0,0,0|2,0,0]=4 93 B6R0.4 NCCCC(=O)O BBL008590 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.5 CC(C)OC(=O)CC#N BBL009730 [0,2,0,0,0,0|0,0,2]=4 96 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,2,0,0,0,0|0,0,1]=3 97 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,2,0,0,0,0|0,0,1]=3 98 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,2,0,0,0,0|1,0,1]=4 99 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.24 CC(C)(C)OC(=O)NN BBL012740 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.1 CCOC(=O)CN=C=O BBL027369 [0,2,0,0,0,0|0,0,2]=4 103 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,2,0,0,0,0|0,0,0]=2 104 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,2,0,0,0,0|0,0,2]=4 105 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,2,0,0,0,0|0,0,2]=4 106 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,2,0,0,0,0|1,0,0]=3 107 B8R0.22 C=CC(OCC)OCC BBL027746 [0,2,0,0,0,0|0,0,2]=4 108 B6R1.2 O=C1C=CCC1 BBL100014 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.2 O=C1OCCO1 BBL011402 [1,0,0,1,0,0|1,0,0]=3 110 B6R1.11 O=C(Cl)C1CC1 BBL011354 [1,0,0,1,0,0|2,0,0]=4 111 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.1 CCN1C=CC(N)=N1 BBL016220 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.1 CN1C=CC(C=O)=N1 BBL104309 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.22 O=C1CCCCCO1 BBL011394 [0,1,0,1,0,0|0,0,2]=4 117 B8R1.50 O=C1OCC(O)=C1Br BBL031583 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.11 CCN1N=CC=C1C BBL039617 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.11 CCN1N=CC=C1N BBL040281 [0,1,0,1,0,0|2,0,0]=4