0 B7R0.5 C=C(C)C(=O)OCC BBL011403 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CC(=O)N(C)CCO BBL003665 [0,0,0,0,0,0|3,0,0]=3 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|2,0,0]=2 4 B7R0.5 CCOC(=O)C(C)=O BBL027737 [0,0,0,0,0,0|1,0,0]=1 5 B7R0.5 CCOC(=O)C(F)F BBL027798 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CCOC(=O)C(N)=O BBL013006 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.5 CCOC(=O)[C@H](C)O BBL009712 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 C=CC(=O)OCC BBL011497 [1,0,0,0,0,0|1,0,1]=3 9 B6R0.1 CCC\C(N)=N\O BBL005361 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(=O)CBr BBL027288 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.1 CCOC(=O)CCl BBL012578 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.1 CCOC(=O)CS BBL011508 [1,0,0,0,0,0|1,1,1]=4 13 B6R0.1 CCOC(=O)NN BBL027647 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CNCC(=O)NC BBL030504 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.1 COC(=O)CCBr BBL027291 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 COC(=O)CCN BBL010085 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.1 COCC(=O)NN BBL013411 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.3 CCC(N)C(=O)O BBL012213 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.3 CNC(=O)C(C)N BBL012983 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.3 COC(=O)C(C)=O BBL027724 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.3 COC(=O)C(C)Cl BBL100013 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.3 NNC(=O)C(N)=O BBL027670 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CC(=O)CCCCl BBL010617 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.4 CC(=O)NCCN BBL027688 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CCCCC(=O)Cl BBL012216 [1,0,0,0,0,0|1,0,1]=3 28 B6R0.4 CCCCC(C)=O BBL011434 [1,0,0,0,0,0|0,0,1]=2 29 B6R0.4 CNCCC(N)=O BBL023425 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 NCCCC(=O)O BBL008590 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 O=C(Cl)CCCCl BBL011409 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.2 CCC(C)C(N)C(=O)O BBL100034 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O BBL033474 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.3 CCOC(=O)C(Br)CBr BBL011515 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.3 CCOC(=O)C(N)CS BBL030426 [0,1,0,0,0,0|2,0,1]=4 36 B8R0.3 CCOC(=O)\C(Cl)=N\O BBL013029 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.8 CCCCC(Br)C(=O)O BBL011383 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.8 CCCCC(N)C(=O)O BBL011583 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.8 CCCNC(=O)C(C)Cl BBL003709 [0,1,0,0,0,0|1,0,1]=3 40 B8R0.8 CCCOC(C)C(=O)O BBL008505 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.8 CNCCC(=O)N(C)C BBL031686 [0,1,0,0,0,0|2,0,0]=3 42 B8R0.8 CSCCC(N)C(=O)O BBL009323 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.23 CC(C)CC(N)C(N)=O BBL012271 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.23 CC(C)NC(=O)C(=O)O BBL000516 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.5 CC1CCCCC1=O BBL011421 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.5 O=C1CCCCC1Cl BBL011103 [0,0,0,1,0,0|1,0,1]=3 47 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.78 NC1(C(=O)O)CCC1 BBL001782 [0,0,0,1,0,0|2,0,1]=4 50 B8R0.5 CCOC(=O)CC(=O)O BBL011139 [0,0,0,0,0,1|2,0,0]=3 51 B8R0.5 CCOC(=O)CC(C)=O BBL012204 [0,0,0,0,0,1|1,0,0]=2 52 B8R0.5 CCOC(=O)C[N+](=O)[O-] BBL011138 [0,0,0,0,0,1|3,0,0]=4 53 B5R0.1 C=C(C)CCO BBL027415 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CC(=O)CCO BBL028076 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CC(C)=CCO BBL011665 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CCCC(=O)Cl BBL011417 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.1 CCCC(C)O BBL011460 [2,0,0,0,0,0|0,0,2]=4 58 B5R0.1 CCC[N+](=O)[O-] BBL011437 [2,0,0,0,0,0|1,0,1]=4 59 B5R0.1 CCOC(=O)Cl BBL011487 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.1 CNCC(=O)O BBL009707 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 CNCC(N)=O BBL011928 [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 COCC(=O)Cl BBL027308 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 CSCC(C)=O BBL100878 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.1 C\C=C\C(=O)Cl BBL011366 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.1 C\C=C\C(=O)O BBL027395 [2,0,0,0,0,0|1,0,1]=4 66 B5R0.1 NC(=O)CCCl BBL011453 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.1 NCCC(=O)O BBL037332 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.1 O=C(Cl)CCBr BBL011521 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 O=C(O)CCCl BBL012215 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 CCCCC=O BBL027632 [2,0,0,0,0,0|0,0,1]=3 71 B5R0.3 C=CC(=O)OC BBL011432 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 CCC(=O)CC BBL027755 [2,0,0,0,0,0|0,0,1]=3 73 B5R0.3 CCC(=O)NN BBL036933 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.3 CCC(=O)NO BBL011342 [2,0,0,0,0,0|1,0,1]=4 75 B5R0.3 CNC(=O)NC BBL011513 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.3 COC(=O)CO BBL009725 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 COC(=O)CS BBL011360 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.5 C=C(C)C(=O)Cl BBL010941 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.5 C=C(C)C(=O)O BBL011616 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.5 C=C(C)C(N)=O BBL011416 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(=O)C(=O)O BBL027390 [2,0,0,0,0,0|1,0,0]=3 82 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.5 O=C(O)C(=O)O BBL003000 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.2 CC(C)CC(=O)NN BBL016229 [1,1,0,0,0,0|2,0,0]=4 85 B7R0.2 CC(O)CC(=O)NN BBL008678 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.2 COC(=O)CC(C)=O BBL011420 [1,1,0,0,0,0|1,0,1]=4 87 B7R0.2 COC(=O)CC(C)C BBL011395 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.3 CCCCC(=O)CC BBL011476 [1,1,0,0,0,0|0,0,1]=3 89 B7R0.3 CCCCC(=O)NN BBL027902 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.3 CCOCC(=O)NN BBL023356 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.3 CNC(=O)CCCN BBL022745 [1,1,0,0,0,0|1,0,0]=3 92 B7R0.3 CNCCC(=O)NC BBL023441 [1,1,0,0,0,0|1,0,0]=3 93 B7R0.3 COC(=O)CCCCl BBL011535 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.3 NNC(=O)CCCO BBL009673 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.7 CCCC(=O)CCC BBL009715 [1,1,0,0,0,0|0,0,1]=3 96 B7R0.7 CCNC(=O)CCCl BBL037203 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.7 C\C=C\C(=O)OCC BBL027753 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.10 COC(=O)C(N)CO BBL028002 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.4 CCCCCC(C)=O BBL011381 [1,1,0,0,0,0|0,0,1]=3 100 B7R0.4 CCCCOC(=O)Cl BBL011392 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 CCCOCC(=O)O BBL008506 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.4 CCC\C=C/C(=O)O BBL029832 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.4 NCCCCC(=O)O BBL027702 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.6 CC(=O)CCC(C)=O BBL027731 [1,1,0,0,0,0|0,0,2]=4 105 B7R0.6 CC(=O)CCN(C)C BBL013551 [1,1,0,0,0,0|1,0,1]=4 106 B7R0.6 CC(=O)\C=C\C(C)C BBL027791 [1,1,0,0,0,0|0,0,1]=3 107 B7R0.6 CC(=O)\C=C\N(C)C BBL028273 [1,1,0,0,0,0|1,0,1]=4 108 B7R0.6 CC(C)COC(=O)Cl BBL011424 [1,1,0,0,0,0|2,0,0]=4 109 B9R0.4 C=CCOC(=O)CC(C)=O BBL011433 [0,1,0,0,0,1|0,0,2]=4 110 B9R0.4 CCCOC(=O)N[N+](=O)[O-] BBL000845 [0,1,0,0,0,1|2,0,0]=4 111 B9R0.4 CNCCC(=O)NC(C)C BBL031766 [0,1,0,0,0,1|1,0,1]=4 112 B9R0.23 COC(=O)C(=O)CC(C)=O BBL027990 [0,1,0,0,0,1|1,0,1]=4 113 B9R0.34 CCOC(=O)CC(=O)CCl BBL027317 [0,1,0,0,0,1|1,0,0]=3 114 B9R0.34 COCC(=O)CC(=O)OC BBL027775 [0,1,0,0,0,1|1,0,0]=3 115 B9R0.53 CC(=O)CC(=O)OC(C)C BBL027993 [0,1,0,0,0,1|1,0,0]=3 116 B9R0.53 CC(C)CC(=O)CC(C)C BBL012214 [0,1,0,0,0,1|1,0,1]=4 117 B9R0.27 CCC(C)C(N)C(=O)OC BBL010092 [0,2,0,0,0,0|1,0,1]=4 118 B9R0.41 CCN(CC)C(=O)C(=O)O BBL022658 [0,2,0,0,0,0|2,0,0]=4 119 B9R0.8 CCCCN(C)C(=O)CCl BBL006028 [0,2,0,0,0,0|2,0,0]=4 120 B9R0.8 COC(=O)C(N)CCSC BBL010083 [0,2,0,0,0,0|1,0,1]=4 121 B9R0.35 CCOC(=O)C(=O)OCC BBL011413 [0,2,0,0,0,0|1,0,0]=3 122 B9R0.7 C=C(C)C(=O)OCC(C)C BBL010919 [0,2,0,0,0,0|1,0,0]=3 123 B9R0.7 CC(C)CNC(=O)C(=O)O BBL005588 [0,2,0,0,0,0|1,0,0]=3 124 B9R0.7 O=C(O)CCC(=O)C(=O)O BBL010614 [0,2,0,0,0,0|1,0,1]=4 125 B9R0.42 CCC(C)NC(=O)C(=O)O BBL000518 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.47 C=C(C)C(=O)OCCCC BBL011464 [0,2,0,0,0,0|1,0,0]=3 127 B7R1.2 CC1CCC(=O)O1 BBL011475 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.2 CC1COC(=O)O1 BBL027518 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.3 O=C1CCCCN1 BBL027557 [1,0,0,1,0,0|1,0,0]=3 130 B7R1.3 O=C1CCOCC1 BBL027597 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.22 NNC(=O)C1CC1 BBL008116 [1,0,0,1,0,0|2,0,0]=4 132 B9R1.34 CC1CC(=O)CC(=O)C1 BBL036984 [0,0,0,1,0,1|0,0,0]=2 133 B9R1.34 CC1CC(=O)OC(=O)C1 BBL027601 [0,0,0,1,0,1|0,0,0]=2 134 B9R1.5 O=C1NCCCCC1Br BBL029752 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.11 CNC(=O)[C@@H]1CCCN1 BBL033606 [0,1,0,1,0,0|1,0,1]=4 136 B9R1.11 NCC(=O)N1CCCC1 BBL030890 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.15 O=CC1CCCCC1=O BBL032651 [0,1,0,1,0,0|0,0,1]=3 138 B9R0.48 CCOC(=O)CCC(C)=O BBL009708 [0,0,0,0,0,2|1,0,0]=3 139 B9R0.48 COCC(=O)NCC(=O)O BBL031276 [0,0,0,0,0,2|2,0,0]=4