0 B4R0.1 C#CC(=O)O BBL011346 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 C#CC(C)O BBL013177 [0,0,0,0,0,0|1,0,3]=4 2 B4R0.1 C=C(C)C#N BBL011404 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 CC(=O)CCl BBL036265 [0,0,0,0,0,0|1,0,1]=2 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|2,0,0]=2 6 B4R0.1 CC(C)C=O BBL034648 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.1 CC(C)CBr BBL036259 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 CC(N)CN BBL027674 [0,0,0,0,0,0|2,0,2]=4 9 B4R0.1 CC(O)CCl BBL011446 [0,0,0,0,0,0|1,0,3]=4 10 B4R0.1 CC(O)CN BBL027685 [0,0,0,0,0,0|1,0,3]=4 11 B4R0.1 CC(O)CO BBL011472 [0,0,0,0,0,0|0,0,4]=4 12 B4R0.1 CCC(C)O BBL011463 [0,0,0,0,0,0|1,0,3]=4 13 B4R0.1 CNC(=N)N BBL011356 [0,0,0,0,0,0|4,0,0]=4 14 B4R0.1 CNC(N)=O BBL013131 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 COC(=N)N BBL009722 [0,0,0,0,0,0|4,0,0]=4 16 B4R0.1 COC(=O)Cl BBL011482 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 COC(N)=O BBL011430 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 CSC(=N)N BBL013049 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 C\C(N)=N\O BBL005334 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.1 NC(=O)NO BBL009928 [0,0,0,0,0,0|2,0,1]=3 21 B4R0.1 NNC(N)=O BBL012207 [0,0,0,0,0,0|3,0,0]=3 22 B4R0.1 O=C(Br)CBr BBL027286 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 O=C(Cl)CCl BBL013127 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 O=C(O)CCl BBL037260 [0,0,0,0,0,0|2,0,1]=3 25 B3R0.1 CN=C=S BBL011120 [1,0,0,0,0,0|1,1,1]=4 26 B3R0.1 CNC=O BBL027430 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 O=CC=O BBL011519 [1,0,0,0,0,0|0,0,0]=1 28 B3R0.2 CC(C)Br BBL027287 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.2 CC(C)I BBL012222 [1,0,0,0,0,0|1,0,2]=4 30 B3R0.2 NC(=S)[S-] BBL035348 [1,0,0,0,0,0|1,2,0]=4 31 B3R0.2 S=C(Cl)Cl BBL027488 [1,0,0,0,0,0|2,1,0]=4 32 B5R0.1 C=C(C)CCO BBL027415 [0,1,0,0,0,0|1,0,2]=4 33 B5R0.1 C=COC(C)=O BBL036266 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.1 CC(=O)CCO BBL028076 [0,1,0,0,0,0|0,0,2]=3 35 B5R0.1 CC(C)=CCO BBL011665 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(C)CC=O BBL027631 [0,1,0,0,0,0|1,0,1]=3 37 B5R0.1 CC(C)N=C=O BBL037676 [0,1,0,0,0,0|1,0,2]=4 38 B5R0.1 CCCC(=O)Cl BBL011417 [0,1,0,0,0,0|2,0,1]=4 39 B5R0.1 CCOC(=O)Cl BBL011487 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.1 CNCC(=O)O BBL009707 [0,1,0,0,0,0|2,0,1]=4 41 B5R0.1 CNCC(N)=O BBL011928 [0,1,0,0,0,0|2,0,1]=4 42 B5R0.1 COCC(=O)Cl BBL027308 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 CSCC(C)=O BBL100878 [0,1,0,0,0,0|0,1,1]=3 44 B5R0.1 C\C=C\C(=O)Cl BBL011366 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 C\C=C\C(=O)O BBL027395 [0,1,0,0,0,0|2,0,0]=3 46 B5R0.1 NC(=O)CCCl BBL011453 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 NCCC(=O)O BBL037332 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 O=C(Cl)CCBr BBL011521 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.1 O=C(O)CCCl BBL012215 [0,1,0,0,0,0|2,0,1]=4 50 B5R0.3 C=CC(=O)OC BBL011432 [0,1,0,0,0,0|1,0,0]=2 51 B5R0.3 CCC(=O)CC BBL027755 [0,1,0,0,0,0|1,0,1]=3 52 B5R0.3 CCC(=O)NN BBL036933 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.3 CCC(=O)NO BBL011342 [0,1,0,0,0,0|1,0,1]=3 54 B5R0.3 CNC(=O)NC BBL011513 [0,1,0,0,0,0|2,0,0]=3 55 B5R0.3 CNC(=S)NN BBL003412 [0,1,0,0,0,0|2,1,0]=4 56 B5R0.3 COC(=O)CO BBL009725 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.3 COC(=O)CS BBL011360 [0,1,0,0,0,0|0,1,1]=3 58 B5R0.3 COC(=O)NN BBL027646 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.5 C=C(C)C(=O)Cl BBL010941 [0,1,0,0,0,0|1,0,0]=2 60 B5R0.5 C=C(C)C(=O)O BBL011616 [0,1,0,0,0,0|1,0,0]=2 61 B5R0.5 C=C(C)C(N)=O BBL011416 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.5 CC(=O)C(=O)O BBL027390 [0,1,0,0,0,0|0,0,0]=1 63 B5R0.5 CC(=O)C(F)F BBL039784 [0,1,0,0,0,0|1,0,1]=3 64 B5R0.5 CC(C)C(=N)N BBL011900 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.5 CC(O)C(=O)O BBL027466 [0,1,0,0,0,0|0,0,2]=3 67 B5R0.5 CC(O)C(N)=O BBL012097 [0,1,0,0,0,0|0,0,2]=3 68 B5R0.5 CC(S)C(=O)O BBL011561 [0,1,0,0,0,0|0,1,1]=3 69 B5R0.5 CN(C)C(=N)N BBL029880 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,1,0,0,0,0|2,0,0]=3 71 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,1,0,0,0,0|2,1,0]=4 72 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,1,0,0,0,0|2,1,0]=4 73 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.5 NC(=O)C(Cl)Cl BBL013005 [0,1,0,0,0,0|2,0,1]=4 75 B5R0.5 O=C(Cl)C(=O)Cl BBL011493 [0,1,0,0,0,0|1,0,0]=2 76 B5R0.5 O=C(Cl)C(Cl)Cl BBL011412 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.5 O=C(O)C(=O)O BBL003000 [0,1,0,0,0,0|1,0,0]=2 78 B5R0.5 O=C(O)C(Cl)Cl BBL011449 [0,1,0,0,0,0|2,0,1]=4 79 B5R1.3 O=CC1CC1 BBL034662 [0,0,0,1,0,0|1,0,1]=3 80 B2R0.1 CCI BBL034620 [2,0,0,0,0,0|1,0,1]=4 81 B2R0.1 CNN BBL011339 [2,0,0,0,0,0|2,0,0]=4 82 B2R0.1 CON BBL028003 [2,0,0,0,0,0|2,0,0]=4 83 B2R0.1 N=CN BBL011114 [2,0,0,0,0,0|2,0,0]=4 84 B4R0.2 C\C=C\C#N BBL036260 [1,1,0,0,0,0|1,0,0]=3 85 B4R0.2 C\C=C\C=O BBL011428 [1,1,0,0,0,0|0,0,0]=2 86 B4R0.2 C\C=C\CO BBL027414 [1,1,0,0,0,0|0,0,1]=3 87 B4R0.3 NS(N)(=O)=O BBL019229 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.1 C=CC(=O)OCC BBL011497 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.1 CCOC(=O)CBr BBL027288 [0,2,0,0,0,0|1,0,1]=4 90 B6R0.1 CCOC(=O)CCl BBL012578 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.1 CCOC(=O)CS BBL011508 [0,2,0,0,0,0|0,1,1]=4 92 B6R0.1 CCOC(=O)NN BBL027647 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.1 CNCC(=O)NC BBL030504 [0,2,0,0,0,0|1,0,1]=4 94 B6R0.1 COC(=O)CCBr BBL027291 [0,2,0,0,0,0|1,0,1]=4 95 B6R0.1 COC(=O)CCN BBL010085 [0,2,0,0,0,0|1,0,1]=4 96 B6R0.1 COCC(=O)NN BBL013411 [0,2,0,0,0,0|2,0,0]=4 97 B6R0.1 N#CCC(=O)NN BBL010619 [0,2,0,0,0,0|2,0,0]=4 98 B6R0.2 CC(=O)NC(=N)N BBL013469 [0,2,0,0,0,0|1,0,0]=3 99 B6R0.2 CC(=O)NC(N)=S BBL011418 [0,2,0,0,0,0|0,1,0]=3 100 B6R0.2 CC(C)=CC(=O)Cl BBL027309 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.2 CC(C)CC(=O)Cl BBL027310 [0,2,0,0,0,0|1,0,1]=4 102 B6R0.2 CC(C)CC(=O)O BBL027399 [0,2,0,0,0,0|1,0,1]=4 103 B6R0.2 CC(O)CC(=O)O BBL027467 [0,2,0,0,0,0|0,0,2]=4 104 B6R0.2 N=C(N)CC(N)=O BBL018903 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.2 NC(=O)NC(N)=O BBL012096 [0,2,0,0,0,0|1,0,0]=3 106 B6R0.3 CC(C)C(=O)NN BBL013917 [0,2,0,0,0,0|1,0,1]=4 107 B6R0.3 CCC(Br)C(=O)O BBL011564 [0,2,0,0,0,0|1,0,1]=4 108 B6R0.3 CCC(N)C(=O)O BBL012213 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.3 CNC(=O)C(C)N BBL012983 [0,2,0,0,0,0|1,0,1]=4 110 B6R0.3 CNC(C)C(=O)O BBL022510 [0,2,0,0,0,0|1,0,1]=4 111 B6R0.3 COC(=O)C(C)=O BBL027724 [0,2,0,0,0,0|0,0,0]=2 112 B6R0.3 COC(=O)C(C)Cl BBL100013 [0,2,0,0,0,0|1,0,1]=4 113 B6R0.3 C\C=C(\C)C(=O)O BBL012257 [0,2,0,0,0,0|1,0,0]=3 114 B6R0.3 NC(CO)C(=O)O BBL012102 [0,2,0,0,0,0|1,0,1]=4 115 B6R0.3 NC(CS)C(=O)O BBL012104 [0,2,0,0,0,0|1,0,1]=4 116 B6R0.3 NNC(=O)C(N)=O BBL027670 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.4 C=CCCC(=O)O BBL027458 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.4 C=CCNC(N)=O BBL011340 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.4 C=CCOC(=O)Cl BBL011109 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.4 CC(=O)CCCCl BBL010617 [0,2,0,0,0,0|1,0,1]=4 121 B6R0.4 CC(=O)NCCN BBL027688 [0,2,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCCC(C)=O BBL011434 [0,2,0,0,0,0|1,0,1]=4 123 B6R0.7 CC(C)(C)C(=O)Cl BBL011382 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.7 CC(C)(N)C(=O)O BBL027672 [0,2,0,0,0,0|1,0,1]=4 125 B6R0.7 CC(C)(N)C(N)=O BBL022550 [0,2,0,0,0,0|1,0,1]=4 126 B6R1.2 CC1=NC=CN1 BBL013047 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.2 O=C1C=CCC1 BBL100014 [0,1,0,1,0,0|1,0,0]=3 128 B6R1.2 O=C1CCSC1 BBL027522 [0,1,0,1,0,0|0,1,1]=4 129 B6R1.2 O=C1NC=NN1 BBL028622 [0,1,0,1,0,0|2,0,0]=4 130 B6R1.2 O=C1OC=CO1 BBL027517 [0,1,0,1,0,0|2,0,0]=4 131 B6R1.2 O=C1OCCO1 BBL011402 [0,1,0,1,0,0|2,0,0]=4 132 B6R1.11 O=C(Cl)C1CC1 BBL011354 [0,1,0,1,0,0|1,0,1]=4