0 B7R0.7 CCCC(=O)CCC BBL009715 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 CCCC(N)CCC BBL003306 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.7 CCNC(=O)CCCl BBL037203 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.7 CCOC(=O)CC#N BBL012203 [0,0,0,0,0,0|1,0,1]=2 4 B7R0.7 CCOC(=O)CNN BBL012499 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCOC(C)OCC BBL011492 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.7 C\C=C\C(=O)OCC BBL027753 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.7 O=C(NCO)NCO BBL000676 [0,0,0,0,0,0|3,1,0]=4 8 B6R0.1 C=CC(=O)OCC BBL011497 [1,0,0,0,0,0|0,0,2]=3 9 B6R0.1 CCOC(=O)CBr BBL027288 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.1 CCOC(=O)CCl BBL012578 [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CCOC(=O)CS BBL011508 [1,0,0,0,0,0|0,0,0]=1 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|1,0,0]=2 15 B6R0.1 COC(=O)CCN BBL010085 [1,0,0,0,0,0|1,0,0]=2 16 B6R0.6 CCCCCCBr BBL012217 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCCCCCI BBL011465 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.6 CCCCCCN BBL011106 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.6 CCOCCCN BBL027700 [1,0,0,0,0,0|1,0,1]=3 21 B8R0.1 CCCNC(=O)CC#N BBL016523 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.1 CCOC(=O)CCCCl BBL011514 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.1 CCOC(=O)CN=C=O BBL027369 [0,1,0,0,0,0|0,1,1]=3 24 B8R0.1 CCOC(=O)\C=C\CBr BBL011101 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.1 N#CCC(=O)NCCO BBL016933 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,1,0,0,0,0|0,0,0]=1 28 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,1,0,0,0,0|1,1,1]=4 29 B8R0.5 CC(C)OC(=O)CC#N BBL009730 [0,1,0,0,0,0|1,0,1]=3 30 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,1,0,0,0,0|0,1,1]=3 31 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,1,0,0,0,0|0,1,1]=3 32 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,1,0,0,0,0|1,1,0]=3 33 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,0]=2 36 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|1,1,0]=4 37 B5R0.1 C=COC(C)=O BBL036266 [2,0,0,0,0,0|0,0,2]=4 38 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|0,1,0]=3 39 B5R0.1 CC(C)CCS BBL027486 [2,0,0,0,0,0|1,0,1]=4 40 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CNCC(=O)O BBL009707 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|2,0,0]=4 44 B5R0.1 NC(=O)CCCl BBL011453 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 NCCC(=O)O BBL037332 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.1 O=C(Cl)CCBr BBL011521 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 O=C(O)CCCl BBL012215 [2,0,0,0,0,0|1,0,0]=3 48 B5R0.2 CCCCCN BBL011398 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.2 CCNCCO BBL027409 [2,0,0,0,0,0|1,1,0]=4 50 B5R0.2 CCOCCBr BBL013472 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.2 COCCCN BBL011597 [2,0,0,0,0,0|1,0,1]=4 52 B5R0.3 C=CC(=O)OC BBL011432 [2,0,0,0,0,0|0,0,2]=4 53 B5R0.3 CCC(=O)CC BBL027755 [2,0,0,0,0,0|0,0,0]=2 54 B5R0.3 CCC(=O)NN BBL036933 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.3 CCC(=O)NO BBL011342 [2,0,0,0,0,0|1,1,0]=4 56 B5R0.3 CNC(=O)NC BBL011513 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.3 COC(=O)CO BBL009725 [2,0,0,0,0,0|0,1,0]=3 58 B5R0.3 COC(=O)CS BBL011360 [2,0,0,0,0,0|0,0,0]=2 59 B5R0.3 COC(=O)NN BBL027646 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.2 CC(C)NC(=O)CN BBL030729 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,1,0,0,0,0|0,1,1]=4 62 B7R0.2 COC(=O)CC(C)C BBL011395 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|1,0,0]=3 64 B7R0.3 CCOCC(=O)NN BBL023356 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.3 CNC(=O)CCCN BBL022745 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.3 CNCCC(=O)NC BBL023441 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.3 COC(=O)CCCCl BBL011535 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.3 COC(=O)\C=C\CBr BBL011112 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.5 C=C(C)C(=O)OCC BBL011403 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [1,1,0,0,0,0|0,1,1]=4 71 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.5 CCOC(=O)C(F)F BBL027798 [1,1,0,0,0,0|1,0,0]=3 73 B7R0.5 CCOC(=O)C(N)=O BBL013006 [1,1,0,0,0,0|0,1,1]=4 74 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.10 COC(=O)C(N)CO BBL028002 [1,1,0,0,0,0|0,1,0]=3 76 B7R0.12 CCN(CC)CCS BBL011336 [1,1,0,0,0,0|2,0,0]=4 77 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [0,2,0,0,0,0|2,0,0]=4 78 B9R0.5 CCOC(=O)CCN=C=O BBL037671 [0,2,0,0,0,0|0,1,0]=3 79 B9R0.18 CCCCC(=O)CCCC BBL011668 [0,2,0,0,0,0|2,0,0]=4 80 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,2,0,0,0,0|1,0,0]=3 81 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|0,1,0]=3 83 B9R0.44 CC(C)(C)NC(=O)CCCl BBL037202 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,2,0,0,0,0|0,1,1]=4 85 B9R0.53 CC(C)CC(=O)CC(C)C BBL012214 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.58 CCOS(=O)(=O)CC(C)C BBL036694 [0,2,0,0,0,0|2,0,0]=4 87 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|0,0,0]=2 88 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|1,0,0]=3 89 B7R1.2 O=C1CCC(=O)C1 BBL011146 [1,0,0,1,0,0|0,1,1]=4 90 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|0,1,0]=3 92 B7R1.4 NC1CCOC1=O BBL027998 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.4 NC1CCSC1=O BBL028068 [1,0,0,1,0,0|1,1,0]=4 94 B9R1.33 NCCN1CCCC1=O BBL029475 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.33 O=C1CCCN1CCCl BBL028309 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,1,0,1,0,0|1,0,1]=4 99 B9R1.66 CC1(C)CC(=O)CCO1 BBL010566 [0,1,0,1,0,0|1,1,0]=4