0 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.5 CC(=O)N(C)CCO BBL003665 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.5 CCNC(=O)C(=O)O BBL005118 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,0,0,0,0,0|0,0,2]=2 8 B6R0.1 C=CC(=O)OCC BBL011497 [1,0,0,0,0,0|0,0,1]=2 9 B6R0.1 CCOC(=O)CBr BBL027288 [1,0,0,0,0,0|1,0,1]=3 10 B6R0.1 CCOC(=O)CCl BBL012578 [1,0,0,0,0,0|1,0,1]=3 11 B6R0.1 CCOC(=O)CS BBL011508 [1,0,0,0,0,0|0,1,1]=3 12 B6R0.1 CCOC(=O)NN BBL027647 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 CNCC(=O)NC BBL030504 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 COC(=O)CCBr BBL027291 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.1 COC(=O)CCN BBL010085 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.3 CCC(N)C(=O)O BBL012213 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CNC(=O)C(C)N BBL012983 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 COC(=O)C(C)=O BBL027724 [1,0,0,0,0,0|0,0,0]=1 20 B6R0.3 COC(=O)C(C)Cl BBL100013 [1,0,0,0,0,0|1,0,1]=3 21 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.3 NNC(=O)C(N)=O BBL027670 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 CC(=O)NCCN BBL027688 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCCC(C)=O BBL011434 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,0,0,0,0|2,0,1]=4 32 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.18 CC1=CC(=O)OC1=O BBL011623 [0,0,0,1,0,0|2,0,1]=4 38 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,0,0,0,0,1|1,0,0]=2 39 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,0,0,0,0,1|0,0,0]=1 40 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,0,0,0,0,1|2,0,0]=3 41 B5R0.1 C=COC(C)=O BBL036266 [2,0,0,0,0,0|0,0,2]=4 42 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|1,0,1]=4 43 B5R0.1 CC(C)=CCO BBL011665 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 COCC(=O)Cl BBL027308 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|0,1,1]=4 48 B5R0.1 C\C=C\C(=O)Cl BBL011366 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 C\C=C\C(=O)O BBL027395 [2,0,0,0,0,0|1,0,1]=4 50 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.3 C=CC(=O)OC BBL011432 [2,0,0,0,0,0|0,0,1]=3 52 B5R0.3 CCC(=O)CC BBL027755 [2,0,0,0,0,0|0,0,1]=3 53 B5R0.3 CCC(=O)NN BBL036933 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.3 CCC(=O)NO BBL011342 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.3 CNC(=O)NC BBL011513 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.3 COC(=O)CO BBL009725 [2,0,0,0,0,0|0,0,2]=4 57 B5R0.3 COC(=O)CS BBL011360 [2,0,0,0,0,0|0,1,1]=4 58 B5R0.3 COC(=O)NN BBL027646 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.5 C=C(C)C(=O)Cl BBL010941 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.5 C=C(C)C(=O)O BBL011616 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.5 C=C(C)C(N)=O BBL011416 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.5 CC(=O)C(=O)O BBL027390 [2,0,0,0,0,0|0,0,0]=2 63 B5R0.5 CC(O)C(=O)O BBL027466 [2,0,0,0,0,0|0,0,2]=4 64 B5R0.5 CC(S)C(=O)O BBL011561 [2,0,0,0,0,0|0,1,1]=4 65 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.5 O=C(O)C(=O)O BBL003000 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.2 COC(=O)CC(C)C BBL011395 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.3 CCOCC(=O)NN BBL023356 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.3 CNC(=O)CCCN BBL022745 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.3 CNCCC(=O)NC BBL023441 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.3 COC(=O)CCCCl BBL011535 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.7 CCNC(=O)CCCl BBL037203 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.7 CCOC(=O)CC#N BBL012203 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.7 CCOC(=O)CNN BBL012499 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.7 C\C=C\C(=O)OCC BBL027753 [1,1,0,0,0,0|0,0,0]=2 78 B7R0.15 COC(OC)C(C)=O BBL011442 [1,1,0,0,0,0|0,0,2]=4 79 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,1]=4 81 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [1,1,0,0,0,0|2,0,0]=4 84 B7R0.6 CC(C)OCC(=O)O BBL031299 [1,1,0,0,0,0|1,0,1]=4 85 B9R0.4 C=CCOC(=O)CC(C)=O BBL011433 [0,1,0,0,0,1|0,0,1]=3 86 B9R0.4 CCCOC(=O)N[N+](=O)[O-] BBL000845 [0,1,0,0,0,1|2,0,0]=4 87 B9R0.23 COC(=O)C(=O)CC(C)=O BBL027990 [0,1,0,0,0,1|2,0,0]=4 88 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,1,0,0,0,1|0,0,0]=2 89 B9R0.34 COCC(=O)CC(=O)OC BBL027775 [0,1,0,0,0,1|2,0,0]=4 90 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,1,0,0,0,1|0,0,0]=2 91 B9R0.41 CCN(CC)C(=O)C(=O)O BBL022658 [0,2,0,0,0,0|2,0,0]=4 92 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [0,2,0,0,0,0|0,0,0]=2 93 B9R0.37 CCOC(=O)\C(C#N)=N\O BBL034624 [0,2,0,0,0,0|0,0,2]=4 94 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,2,0,0,0,0|1,0,0]=3 95 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,2,0,0,0,0|2,0,0]=4 96 B9R0.42 CCC(C)NC(=O)C(=O)O BBL000518 [0,2,0,0,0,0|2,0,0]=4 97 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,2,0,0,0,0|1,0,0]=3 98 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|0,0,1]=3 99 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|1,0,0]=3 100 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.4 NC1CCOC1=O BBL027998 [1,0,0,1,0,0|1,0,1]=4 102 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,0,0,1,0,1|1,0,0]=3 103 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,0,0,1,0,1|1,0,0]=3 104 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,1,0,1,0,0|1,0,1]=4 105 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [0,1,0,1,0,0|1,0,1]=4 106 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,0,0,0,0,2|0,0,0]=2