0 B7R0.4 CCCCCC(C)=O BBL011381 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 CCCCOC(=O)Cl BBL011392 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCOCC(=O)O BBL008506 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCC\C=C/C(=O)O BBL029832 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.4 NCCCCC(=O)O BBL027702 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.4 CC(=O)NCCN BBL027688 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.4 CCCCC(C)=O BBL011434 [1,0,0,0,0,0|0,0,1]=2 10 B6R0.4 CNCCC(N)=O BBL023425 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.4 NCCCC(=O)O BBL008590 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 CCCCN=C=O BBL027371 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 CCCCOC=O BBL012218 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.6 CCCNCCC BBL027756 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.6 CCCCCC(=O)CC BBL011431 [0,1,0,0,0,0|0,0,2]=3 19 B8R0.6 CCCCCC(=O)NN BBL014328 [0,1,0,0,0,0|1,0,2]=4 20 B8R0.6 COCCNC(=O)CN BBL030590 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.7 CCCCCCC(C)=O BBL011429 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.7 CCCNCCC(N)=O BBL024551 [0,1,0,0,0,0|1,0,2]=4 23 B8R0.7 CCCS\C=C/C(=O)[O-] BBL033998 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.7 O=C(O)CCCCCBr BBL012109 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,1,0,0,0,0|1,0,2]=4 26 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,1,0,0,0,0|2,0,1]=4 28 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.28 CC(=O)CCC=C(C)C BBL027733 [0,1,0,0,0,0|1,0,2]=4 30 B8R1.1 CCN1C=CC(N)=N1 BBL016220 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [0,0,0,1,0,0|1,0,2]=4 33 B8R1.4 CC1CCCC(=O)C1 BBL013179 [0,0,0,1,0,0|0,0,2]=3 34 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.7 NC(=O)C1CCCN1 BBL010815 [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 B8R1.22 NC1=NCCCCC1 BBL012958 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.22 O=C1CCCCCO1 BBL011394 [0,0,0,1,0,0|1,0,1]=3 39 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.1 C=COC(C)=O BBL036266 [2,0,0,0,0,0|1,0,1]=4 41 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.1 CC(C)=CCO BBL011665 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CCCC(C)O BBL011460 [2,0,0,0,0,0|0,0,2]=4 45 B5R0.1 CCC[N+](=O)[O-] BBL011437 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|2,0,0]=4 47 B5R0.1 CNCC(=O)O BBL009707 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.1 CNCC(N)=O BBL011928 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 COCC(=O)Cl BBL027308 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 C\C=C\C(=O)Cl BBL011366 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 C\C=C\C(=O)O BBL027395 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 NC(=O)CCCl BBL011453 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 NCCC(=O)O BBL037332 [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 O=C(Cl)CCBr BBL011521 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 O=C(O)CCCl BBL012215 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,1]=3 58 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,0,1]=3 60 B7R0.3 CCCCC(=O)NN BBL027902 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.3 CNC(=O)CCCN BBL022745 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.3 CNCCC(=O)NC BBL023441 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.3 COC(=O)CCCCl BBL011535 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.3 COC(=O)\C=C\CBr BBL011112 [1,1,0,0,0,0|1,0,0]=3 65 B7R0.3 CO\C=C\C(=O)OC BBL028237 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.5 C=C(C)C(=O)OCC BBL011403 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.5 CC(=O)N(C)CCO BBL003665 [1,1,0,0,0,0|2,0,0]=4 68 B7R0.5 CCNC(=O)C(=O)O BBL005118 [1,1,0,0,0,0|2,0,0]=4 69 B7R0.5 CCOC(=O)C(=O)Cl BBL027307 [1,1,0,0,0,0|2,0,0]=4 70 B7R0.5 CCOC(=O)C(C)=O BBL027737 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.5 CCOC(=O)C(N)=O BBL013006 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,1,0,0,0,0|0,0,2]=4 73 B7R0.6 CC(=O)CCN(C)C BBL013551 [1,1,0,0,0,0|1,0,1]=4 74 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [1,1,0,0,0,0|0,0,0]=2 75 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [1,1,0,0,0,0|1,0,0]=3 76 B7R0.6 CC(C)COC(=O)Cl BBL011424 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,2]=4 78 B7R0.7 C\C=C\C(=O)OCC BBL027753 [1,1,0,0,0,0|1,0,0]=3 79 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,2,0,0,0,0|1,0,1]=4 80 B9R0.34 COCC(=O)CC(=O)OC BBL027775 [0,2,0,0,0,0|1,0,1]=4 81 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,2,0,0,0,0|1,0,1]=4 83 B9R0.46 CCCCCCC(=O)OC BBL011469 [0,2,0,0,0,0|0,0,2]=4 84 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.2 CCCCCCCC(C)=O BBL011435 [0,2,0,0,0,0|0,0,2]=4 86 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,2,0,0,0,0|2,0,0]=4 88 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,2,0,0,0,0|2,0,0]=4 89 B9R0.42 CCC(C)NC(=O)C(=O)O BBL000518 [0,2,0,0,0,0|2,0,0]=4 90 B7R1.2 CC1=NN(C)C=C1 BBL038742 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,1]=4 95 B7R1.14 O=S1(=O)C=CCC1 BBL012811 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.1 CCN1C=CC=N1 BBL038143 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.4 CC1=CC=NN1C BBL029437 [1,0,0,1,0,0|2,0,0]=4 98 B9R1.7 CC1=CSC(CCN)=N1 BBL011116 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.7 CC1=NN(CCCl)C=C1 BBL028809 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.7 CC1=NN(CCN)C=C1 BBL029476 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.7 CC1=NN(CCO)C=C1 BBL038002 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.7 CCCN1C=CC(C)=N1 BBL028808 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.7 CCCN1C=CC(N)=N1 BBL010137 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.22 CCN1N=C(C)C=C1N BBL039304 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,1,0,1,0,0|0,0,1]=3 106 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.41 CC(=O)C1=CC=NN1C BBL030287 [0,1,0,1,0,0|1,0,1]=4 108 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.11 NCC(=O)N1CCCC1 BBL030890 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.21 CCC1=CC=C(C=O)S1 BBL040916 [0,1,0,1,0,0|1,0,1]=4 112 B9R1.21 CCN1C=CC(CN)=N1 BBL039356 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.50 O=C1CCCCCCC1 BBL011399 [0,1,0,1,0,0|0,0,2]=4 114 B9R1.23 CCN1C=C(Br)C(C)=N1 BBL038118 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.23 CCN1C=C(N)C(C)=N1 BBL013093 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [0,1,0,1,0,0|0,0,2]=4 117 B9R1.35 CC(=O)C1=CN(C)N=C1 BBL028299 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.35 CC(=O)C1=NN(C)C=C1 BBL039361 [0,1,0,1,0,0|1,0,1]=4