0 B4R0.1 C#CC(=O)O BBL011346 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 C#CC(C)O BBL013177 [0,0,0,0,0,0|1,0,1]=2 2 B4R0.1 C=C(C)C#N BBL011404 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 CC(=O)CCl BBL036265 [0,0,0,0,0,0|1,0,2]=3 4 B4R0.1 CC(=O)CO BBL011436 [0,0,0,0,0,0|0,0,2]=2 5 B4R0.1 CC(=O)NN BBL018600 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.1 CC(C)C=O BBL034648 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 CC(C)CBr BBL036259 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.1 CC(N)CN BBL027674 [0,0,0,0,0,0|2,0,0]=2 9 B4R0.1 CC(O)CCl BBL011446 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(O)CN BBL027685 [0,0,0,0,0,0|1,0,0]=1 11 B4R0.1 CC(O)CO BBL011472 [0,0,0,0,0,0|0,0,0]=0 12 B4R0.1 CCC(C)O BBL011463 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 C\C(N)=N\O BBL005334 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.1 NC(=O)NO BBL009928 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 NCC(F)F BBL104334 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 O=C(Br)CBr BBL027286 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 O=C(Cl)CCl BBL013127 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 O=C(O)CCl BBL037260 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.1 OCC(F)F BBL038231 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.1 C#CCN BBL027696 [1,0,0,0,0,0|1,0,2]=4 21 B3R0.1 C#CCO BBL011350 [1,0,0,0,0,0|0,0,2]=3 22 B3R0.1 CN=C=S BBL011120 [1,0,0,0,0,0|1,1,1]=4 23 B3R0.1 CNC=O BBL027430 [1,0,0,0,0,0|1,0,2]=4 24 B3R0.1 ClCCBr BBL011345 [1,0,0,0,0,0|2,0,0]=3 25 B3R0.1 N#CCN BBL009721 [1,0,0,0,0,0|2,0,1]=4 26 B3R0.1 NCCCl BBL011524 [1,0,0,0,0,0|2,0,0]=3 27 B3R0.1 OCCCl BBL011477 [1,0,0,0,0,0|1,0,0]=2 28 B3R0.1 OCCF BBL027407 [1,0,0,0,0,0|1,0,0]=2 29 B3R0.1 OCCI BBL037216 [1,0,0,0,0,0|1,0,0]=2 30 B3R0.1 SCCS BBL011363 [1,0,0,0,0,0|0,2,0]=3 31 B3R0.2 CC(C)Br BBL027287 [1,0,0,0,0,0|1,0,0]=2 32 B3R0.2 CC(C)I BBL012222 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.1 C#CCN(C)C BBL027718 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.1 C=C(C)CCO BBL027415 [0,1,0,0,0,0|1,0,1]=3 35 B5R0.1 CC(=O)CCO BBL028076 [0,1,0,0,0,0|0,0,2]=3 36 B5R0.1 CC(C)=CCO BBL011665 [0,1,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(C)CC=O BBL027631 [0,1,0,0,0,0|1,0,1]=3 38 B5R0.1 CC(C)CCBr BBL011503 [0,1,0,0,0,0|2,0,0]=3 39 B5R0.1 CC(C)CCS BBL027486 [0,1,0,0,0,0|1,1,0]=3 40 B5R0.1 CC(C)N=C=O BBL037676 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.1 CC(O)CCO BBL037424 [0,1,0,0,0,0|0,0,0]=1 42 B5R0.1 CCCC(C)O BBL011460 [0,1,0,0,0,0|1,0,0]=2 43 B5R0.1 CNCC(=O)O BBL009707 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 COCC(=O)Cl BBL027308 [0,1,0,0,0,0|1,0,2]=4 45 B5R0.1 CSCC(C)=O BBL100878 [0,1,0,0,0,0|0,1,2]=4 46 B5R0.1 NCCC(=O)O BBL037332 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 O=C(O)CCCl BBL012215 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.3 CCC(=O)CC BBL027755 [0,1,0,0,0,0|1,0,2]=4 49 B5R0.3 CCC(=O)NO BBL011342 [0,1,0,0,0,0|1,0,2]=4 50 B5R0.3 CCC(N)CO BBL027677 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.3 COC(=O)CO BBL009725 [0,1,0,0,0,0|0,0,2]=3 52 B5R0.3 COC(=O)CS BBL011360 [0,1,0,0,0,0|0,1,2]=4 53 B5R0.3 ClCC(Cl)CCl BBL010950 [0,1,0,0,0,0|2,0,0]=3 54 B5R0.3 NCC(O)CN BBL011378 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.3 OCC(O)CCl BBL011374 [0,1,0,0,0,0|0,0,0]=1 56 B5R0.4 C#CC(C)(C)O BBL011368 [0,1,0,0,0,0|1,0,1]=3 57 B5R0.4 CC(C)(C)NN BBL036306 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.4 CC(C)(N)CO BBL023024 [0,1,0,0,0,0|1,0,0]=2 59 B5R0.4 CC(C)(O)C#N BBL011349 [0,1,0,0,0,0|1,0,1]=3 60 B5R0.4 NCS(=O)(=O)O BBL027684 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.4 OCC(F)(F)F BBL008539 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.5 C=C(C)C(=O)O BBL011616 [0,1,0,0,0,0|1,0,2]=4 63 B5R0.5 CC(=O)C(=O)O BBL027390 [0,1,0,0,0,0|0,0,3]=4 64 B5R0.5 CC(=O)C(F)F BBL039784 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.5 CC(C)C(=N)N BBL011900 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.5 CC(O)C(=O)O BBL027466 [0,1,0,0,0,0|0,0,1]=2 68 B5R0.5 CC(O)C(N)=O BBL012097 [0,1,0,0,0,0|0,0,2]=3 69 B5R0.5 CC(S)C(=O)O BBL011561 [0,1,0,0,0,0|0,1,1]=3 70 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,1,0,0,0,0|1,0,2]=4 71 B5R0.5 O=C(O)C(=O)O BBL003000 [0,1,0,0,0,0|1,0,2]=4 72 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,1,0,0,0,0|2,0,1]=4 73 B5R1.2 OC1CNC1 BBL023120 [0,0,0,1,0,0|1,0,0]=2 74 B5R1.3 CCC1CO1 BBL011530 [0,0,0,1,0,0|1,0,0]=2 75 B5R1.3 NCC1CC1 BBL027928 [0,0,0,1,0,0|2,0,0]=3 76 B5R1.3 O=CC1CC1 BBL034662 [0,0,0,1,0,0|1,0,2]=4 77 B2R0.1 CCI BBL034620 [2,0,0,0,0,0|1,0,0]=3 78 B2R0.1 CNN BBL011339 [2,0,0,0,0,0|2,0,0]=4 79 B2R0.1 CON BBL028003 [2,0,0,0,0,0|2,0,0]=4 80 B2R0.1 ICI BBL011419 [2,0,0,0,0,0|2,0,0]=4 81 B4R0.2 BrCCCBr BBL011375 [1,1,0,0,0,0|1,0,0]=3 82 B4R0.2 CCCCCl BBL012221 [1,1,0,0,0,0|1,0,0]=3 83 B4R0.2 CCCCI BBL027320 [1,1,0,0,0,0|1,0,0]=3 84 B4R0.2 CCCCN BBL027788 [1,1,0,0,0,0|1,0,0]=3 85 B4R0.2 CNCCN BBL027689 [1,1,0,0,0,0|1,0,0]=3 86 B4R0.2 CNCCO BBL027408 [1,1,0,0,0,0|0,0,0]=2 87 B4R0.2 C\C=C\CO BBL027414 [1,1,0,0,0,0|0,0,1]=3 88 B4R0.2 N#CCCBr BBL011566 [1,1,0,0,0,0|1,0,1]=4 89 B4R0.2 N#CCCO BBL027405 [1,1,0,0,0,0|0,0,1]=3 90 B4R0.2 NCCCBr BBL010090 [1,1,0,0,0,0|1,0,0]=3 91 B4R0.2 NCCCCl BBL009705 [1,1,0,0,0,0|1,0,0]=3 92 B4R0.2 NCCCN BBL027701 [1,1,0,0,0,0|1,0,0]=3 93 B4R0.2 NNCCO BBL027648 [1,1,0,0,0,0|1,0,0]=3 94 B4R0.2 OCCCBr BBL027416 [1,1,0,0,0,0|0,0,0]=2 95 B4R0.3 CC(C)(C)[O-] BBL011485 [1,1,0,0,0,0|0,0,1]=3 96 B6R0.1 CCC(C)N=C=O BBL037641 [0,2,0,0,0,0|1,0,1]=4 97 B6R0.1 CCC(C)N=C=S BBL027965 [0,2,0,0,0,0|1,1,0]=4 98 B6R0.1 CNCC(C)OC BBL003985 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.1 CNCC(O)CO BBL028168 [0,2,0,0,0,0|0,0,0]=2 100 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,2,0,0,0,0|1,0,1]=4 101 B6R0.2 CC(C)CC(=O)O BBL027399 [0,2,0,0,0,0|1,0,0]=3 102 B6R0.2 CC(O)CC(=O)O BBL027467 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.3 CC(C)\C(N)=N\O BBL005403 [0,2,0,0,0,0|1,0,1]=4 104 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,2,0,0,0,0|1,0,1]=4 105 B6R0.3 CCC(N)C(=O)O BBL012213 [0,2,0,0,0,0|1,0,1]=4 106 B6R0.3 CNC(C)C(=O)O BBL022510 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.3 NC(CO)C(=O)O BBL012102 [0,2,0,0,0,0|1,0,0]=3 109 B6R0.3 NC(CS)C(=O)O BBL012104 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.4 CC(C)CN=C=S BBL027869 [0,2,0,0,0,0|1,1,0]=4 111 B6R0.4 CC(C)OCCCl BBL030951 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.4 CN(C)CCCO BBL011401 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.5 CNCC(C)(C)C BBL023208 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.5 C[N+](C)(C)CCO BBL005532 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.8 CC(N)(CO)CO BBL027473 [0,2,0,0,0,0|0,0,0]=2 116 B6R0.8 O=P(O)(CCl)CCl BBL028262 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.9 COC(CCl)OC BBL011494 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.9 COC(CN)OC BBL011384 [0,2,0,0,0,0|1,0,0]=3 119 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,2,0,0,0,0|1,0,1]=4 120 B6R0.7 CC(N)C(C)(C)C BBL037557 [0,2,0,0,0,0|2,0,0]=4 121 B6R1.2 NC1CCCC1 BBL036999 [0,1,0,1,0,0|2,0,0]=4