0 B6R0.9 COC(CCl)OC BBL011494 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.9 COC(CN)OC BBL011384 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 CCC(=O)CC BBL027755 [1,0,0,0,0,0|0,0,1]=2 3 B5R0.3 CCC(=O)NN BBL036933 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.3 CCC(=O)NO BBL011342 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.3 CCC(N)CO BBL027677 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.3 CNC(=O)NC BBL011513 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 COC(=O)CO BBL009725 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 COC(=O)CS BBL011360 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 ClCC(Cl)CCl BBL010950 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.3 NCC(O)CN BBL011378 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 OCC(O)CCl BBL011374 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.12 CCN(CC)CCN BBL027692 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.12 CCN(CC)CCO BBL012211 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.12 CCN(CC)CCS BBL011336 [0,1,0,0,0,0|1,1,1]=4 15 B7R0.12 CNCC(OC)OC BBL027717 [0,1,0,0,0,0|3,0,0]=4 16 B7R0.15 CCC(CC)C(=O)O BBL018400 [0,1,0,0,0,0|0,0,0]=1 17 B7R0.15 CCC(NC)C(=O)O BBL022845 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.15 CCN(CC)C(=S)[S-] BBL011325 [0,1,0,0,0,0|1,1,0]=3 19 B7R0.15 COC(OC)C(C)=O BBL011442 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.18 CCC(N)(CO)CO BBL027474 [0,1,0,0,0,0|1,0,2]=4 21 B7R1.1 CNC1CCSC1 BBL035010 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.1 OCC1CCCN1 BBL021035 [0,0,0,1,0,0|1,0,2]=4 23 B4R0.1 CC(=O)CCl BBL036265 [2,0,0,0,0,0|1,0,1]=4 24 B4R0.1 CC(=O)CO BBL011436 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.1 CC(C)C=O BBL034648 [2,0,0,0,0,0|0,0,0]=2 26 B4R0.1 CC(C)CBr BBL036259 [2,0,0,0,0,0|1,0,1]=4 27 B4R0.1 CC(N)CN BBL027674 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.1 CC(O)CCl BBL011446 [2,0,0,0,0,0|1,0,1]=4 29 B4R0.1 CC(O)CN BBL027685 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.1 CC(O)CO BBL011472 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 CCC(C)O BBL011463 [2,0,0,0,0,0|0,0,1]=3 32 B4R0.2 BrCCCBr BBL011375 [2,0,0,0,0,0|2,0,0]=4 33 B4R0.2 CCCCCl BBL012221 [2,0,0,0,0,0|1,0,0]=3 34 B4R0.2 CCCCI BBL027320 [2,0,0,0,0,0|1,0,0]=3 35 B4R0.2 CCCCN BBL027788 [2,0,0,0,0,0|1,0,0]=3 36 B4R0.2 CNCCN BBL027689 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.2 CNCCO BBL027408 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.2 C\C=C\C=O BBL011428 [2,0,0,0,0,0|0,0,2]=4 39 B4R0.2 NCCCBr BBL010090 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.2 NCCCCl BBL009705 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.2 NCCCN BBL027701 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 OCCCBr BBL027416 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 CCC(C)N=C=O BBL037641 [1,1,0,0,0,0|0,0,1]=3 44 B6R0.1 CCC(C)N=C=S BBL027965 [1,1,0,0,0,0|0,1,1]=4 45 B6R0.1 CCOC(=O)CBr BBL027288 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.1 CCOC(=O)CCl BBL012578 [1,1,0,0,0,0|1,0,1]=4 47 B6R0.1 CCOC(=O)CS BBL011508 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.1 CNCC(=O)NC BBL030504 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.1 CNCC(C)OC BBL003985 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.1 CNCC(O)CO BBL028168 [1,1,0,0,0,0|1,0,1]=4 51 B6R0.1 COC(=O)CCBr BBL027291 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.1 COC(=O)CCN BBL010085 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.3 CCC(Br)C(=O)O BBL011564 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.3 CCC(N)C(=O)O BBL012213 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.3 CNC(=O)C(C)N BBL012983 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.3 CNC(C)C(=O)O BBL022510 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.3 COC(=O)C(C)Cl BBL100013 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [1,1,0,0,0,0|0,0,2]=4 59 B6R0.3 NC(CO)C(=O)O BBL012102 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.3 NC(CS)C(=O)O BBL012104 [1,1,0,0,0,0|2,0,0]=4 61 B8R0.11 CCCCC(C=O)CC BBL010642 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.16 COC(CC(C)=O)OC BBL011444 [0,2,0,0,0,0|2,0,0]=4 63 B8R0.20 CCC(CC)C(=O)NN BBL037609 [0,2,0,0,0,0|0,0,0]=2 64 B8R0.20 CCN(CC)C(=O)CCl BBL005343 [0,2,0,0,0,0|1,0,0]=3 65 B8R0.22 C=CC(OCC)OCC BBL027746 [0,2,0,0,0,0|1,0,0]=3 66 B8R0.22 CCOC(CBr)OCC BBL011518 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.18 CCC(C(=O)O)C(=O)O BBL019763 [0,2,0,0,0,0|1,0,1]=4 68 B8R0.36 CC(CO)(CO)C(=O)O BBL011502 [0,2,0,0,0,0|2,0,0]=4 69 B6R1.2 NC1CCCC1 BBL036999 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.2 O=C1CCSC1 BBL027522 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.1 O=C1NCC(CCl)O1 BBL027510 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.2 BrCC1CCCCO1 BBL027774 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.2 CCC1CCCCN1 BBL100012 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.2 CNC1CCSCC1 BBL032171 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.2 COC1CCNCC1 BBL025762 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.2 ClCC1CCCCO1 BBL027598 [0,1,0,1,0,0|1,0,1]=4 77 B8R1.2 N#CC1CCOCC1 BBL018006 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.8 O=C=NC1CCCC1 BBL036935 [0,1,0,1,0,0|0,0,1]=3 79 B8R1.8 S=C=NC1CCCC1 BBL027955 [0,1,0,1,0,0|0,1,1]=4 80 B8R1.7 CC(C)C1CCCN1 BBL020618 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.7 CC(N)C1CCCO1 BBL037392 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.7 NC(=O)C1CCCN1 BBL010815 [0,1,0,1,0,0|1,0,0]=3 83 B8R1.7 O=C(O)C1CCCO1 BBL001404 [0,1,0,1,0,0|1,0,0]=3 84 B8R1.7 O=C(O)C1NCCS1 BBL034715 [0,1,0,1,0,0|2,0,0]=4 85 B8R1.7 S=C([S-])N1CCCC1 BBL033985 [0,1,0,1,0,0|1,1,0]=4