0 B5R0.3 CCC(=O)CC BBL027755 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.3 CCC(=O)NO BBL011342 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.3 CCC(N)CO BBL027677 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 COC(=O)CO BBL009725 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 ClCC(Cl)CCl BBL010950 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 NCC(O)CN BBL011378 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.3 OCC(O)CCl BBL011374 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.1 C#CC(C)O BBL013177 [1,0,0,0,0,0|1,0,1]=3 8 B4R0.1 CC(=O)CCl BBL036265 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 CC(=O)CO BBL011436 [1,0,0,0,0,0|0,0,2]=3 10 B4R0.1 CC(C)C=O BBL034648 [1,0,0,0,0,0|1,0,2]=4 11 B4R0.1 CC(C)CBr BBL036259 [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(N)CN BBL027674 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(O)CCl BBL011446 [1,0,0,0,0,0|1,0,0]=2 14 B4R0.1 CC(O)CN BBL027685 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CC(O)CO BBL011472 [1,0,0,0,0,0|0,0,0]=1 16 B4R0.1 CCC(C)O BBL011463 [1,0,0,0,0,0|1,0,0]=2 17 B4R0.1 C\C(N)=N\O BBL005334 [1,0,0,0,0,0|2,0,1]=4 18 B4R0.1 NCC(F)F BBL104334 [1,0,0,0,0,0|3,0,0]=4 19 B4R0.1 O=C(O)CCl BBL037260 [1,0,0,0,0,0|1,0,2]=4 20 B4R0.1 OCC(F)F BBL038231 [1,0,0,0,0,0|2,0,0]=3 21 B4R0.2 BrCCCBr BBL011375 [1,0,0,0,0,0|2,0,0]=3 22 B4R0.2 CCCCCl BBL012221 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.2 CCCCI BBL027320 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.2 CCCCN BBL027788 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.2 CNCCN BBL027689 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.2 CNCCO BBL027408 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 C\C=C\CO BBL027414 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 N#CCCBr BBL011566 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.2 N#CCCO BBL027405 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.2 NCCCBr BBL010090 [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 NCCCCl BBL009705 [1,0,0,0,0,0|2,0,0]=3 32 B4R0.2 NCCCN BBL027701 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.2 NNCCO BBL027648 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 OCCCBr BBL027416 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.1 CNCC(O)CO BBL028168 [0,1,0,0,0,0|1,0,0]=2 36 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,1,0,0,0,0|2,0,1]=4 37 B6R0.3 CCC(N)C(=O)O BBL012213 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.3 NC(CO)C(=O)O BBL012102 [0,1,0,0,0,0|1,0,1]=3 39 B6R0.3 NC(CS)C(=O)O BBL012104 [0,1,0,0,0,0|1,1,1]=4 40 B6R0.8 CC(N)(CO)CO BBL027473 [0,1,0,0,0,0|1,0,0]=2 41 B6R0.8 O=P(O)(CCl)CCl BBL028262 [0,1,0,0,0,0|3,0,0]=4 42 B6R0.9 COC(CCl)OC BBL011494 [0,1,0,0,0,0|3,0,0]=4 43 B6R0.9 COC(CN)OC BBL011384 [0,1,0,0,0,0|3,0,0]=4 44 B6R1.2 NC1CCCC1 BBL036999 [0,0,0,1,0,0|3,0,0]=4 45 B3R0.1 C#CCO BBL011350 [2,0,0,0,0,0|0,0,2]=4 46 B3R0.1 ClCCBr BBL011345 [2,0,0,0,0,0|2,0,0]=4 47 B3R0.1 NCCCl BBL011524 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 OCCCl BBL011477 [2,0,0,0,0,0|1,0,0]=3 49 B3R0.1 OCCF BBL027407 [2,0,0,0,0,0|1,0,0]=3 50 B3R0.1 OCCI BBL037216 [2,0,0,0,0,0|1,0,0]=3 51 B3R0.1 SCCS BBL011363 [2,0,0,0,0,0|0,2,0]=4 52 B3R0.2 CC(C)Br BBL027287 [2,0,0,0,0,0|1,0,0]=3 53 B3R0.2 CC(C)I BBL012222 [2,0,0,0,0,0|1,0,0]=3 54 B5R0.1 C=C(C)CCO BBL027415 [1,1,0,0,0,0|1,0,1]=4 55 B5R0.1 CC(=O)CCO BBL028076 [1,1,0,0,0,0|0,0,2]=4 56 B5R0.1 CC(C)=CCO BBL011665 [1,1,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(C)CC=O BBL027631 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.1 CC(C)CCBr BBL011503 [1,1,0,0,0,0|2,0,0]=4 59 B5R0.1 CC(C)CCS BBL027486 [1,1,0,0,0,0|1,1,0]=4 60 B5R0.1 CC(O)CCO BBL037424 [1,1,0,0,0,0|0,0,0]=2 61 B5R0.1 CCCC(C)O BBL011460 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.4 C#CC(C)(C)O BBL011368 [1,1,0,0,0,0|1,0,1]=4 63 B5R0.4 CC(C)(N)CO BBL023024 [1,1,0,0,0,0|1,0,0]=3 64 B5R0.4 CC(C)(O)C#N BBL011349 [1,1,0,0,0,0|1,0,1]=4 65 B5R0.4 OCC(F)(F)F BBL008539 [1,1,0,0,0,0|2,0,0]=4 66 B5R0.5 CC(O)C(=O)O BBL027466 [1,1,0,0,0,0|0,0,1]=3 67 B5R0.5 CC(O)C(N)=O BBL012097 [1,1,0,0,0,0|0,0,2]=4 68 B5R0.5 CC(S)C(=O)O BBL011561 [1,1,0,0,0,0|0,1,1]=4 69 B5R0.2 BrCCCCBr BBL027293 [1,1,0,0,0,0|2,0,0]=4 70 B5R0.2 CCCCC=O BBL027632 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.2 CCCCCN BBL011398 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.2 CCNCCO BBL027409 [1,1,0,0,0,0|1,0,0]=3 73 B5R0.2 CCOCCBr BBL013472 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.2 CNCCCN BBL011479 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.2 COCCCN BBL011597 [1,1,0,0,0,0|1,0,0]=3 76 B5R0.2 NCCCCN BBL027703 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.7 O=C(NCO)NCO BBL000676 [0,2,0,0,0,0|0,0,2]=4 78 B7R0.7 OCNC(=S)NCO BBL011084 [0,2,0,0,0,0|0,1,1]=4 79 B7R0.10 COC(=O)C(N)CO BBL028002 [0,2,0,0,0,0|1,0,1]=4 80 B7R0.13 OCC(F)(F)C(F)F BBL027472 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.15 CCC(CC)C(=O)O BBL018400 [0,2,0,0,0,0|2,0,0]=4 82 B7R0.16 CC(O)C(N)C(=O)O BBL011585 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.18 CCC(N)(CO)CO BBL027474 [0,2,0,0,0,0|1,0,0]=3 84 B7R0.18 NC(CO)(CO)CO BBL000011 [0,2,0,0,0,0|0,0,0]=2 85 B5R1.2 OC1CNC1 BBL023120 [1,0,0,1,0,0|1,0,0]=3 86 B5R1.3 CCC1CO1 BBL011530 [1,0,0,1,0,0|1,0,0]=3 87 B5R1.3 NCC1CC1 BBL027928 [1,0,0,1,0,0|2,0,0]=4 88 B7R1.1 BrCC1OCCO1 BBL027424 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.1 ClCC1OCCO1 BBL011357 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.1 OCC1CCCN1 BBL021035 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.3 OC1CCCCC1 BBL013186 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.3 OC1COCOC1 BBL011466 [0,1,0,1,0,0|0,0,0]=2 93 B7R1.4 N[C@@H]1CSC[C@@H]1O BBL012757 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.4 OC1COCC1O BBL029389 [0,1,0,1,0,0|0,0,0]=2 95 B7R1.25 CC1(CO)COC1 BBL027778 [0,1,0,1,0,0|1,0,0]=3