0 B3R0.2 CC(C)Br BBL027287 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.2 CC(C)I BBL012222 [0,0,0,0,0,0|1,0,0]=1 2 B3R0.2 NC(=S)[S-] BBL035348 [0,0,0,0,0,0|2,0,2]=4 3 B3R0.2 S=C(Cl)Cl BBL027488 [0,0,0,0,0,0|2,0,2]=4 4 B2R0.1 CCI BBL034620 [1,0,0,0,0,0|1,0,0]=2 5 B2R0.1 CNN BBL011339 [1,0,0,0,0,0|2,0,0]=3 6 B2R0.1 CON BBL028003 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 ICI BBL011419 [1,0,0,0,0,0|2,0,0]=3 8 B2R0.1 N#CN BBL027645 [1,0,0,0,0,0|2,0,1]=4 9 B2R0.1 N=CN BBL011114 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C#CC(C)O BBL013177 [0,1,0,0,0,0|0,1,1]=3 11 B4R0.1 C=C(C)C#N BBL011404 [0,1,0,0,0,0|1,0,2]=4 12 B4R0.1 CC(=O)CCl BBL036265 [0,1,0,0,0,0|0,1,1]=3 13 B4R0.1 CC(=O)CO BBL011436 [0,1,0,0,0,0|0,1,1]=3 14 B4R0.1 CC(=O)NN BBL018600 [0,1,0,0,0,0|1,1,1]=4 15 B4R0.1 CC(C)C=O BBL034648 [0,1,0,0,0,0|0,1,0]=2 16 B4R0.1 CC(C)CBr BBL036259 [0,1,0,0,0,0|1,0,0]=2 17 B4R0.1 CC(N)CN BBL027674 [0,1,0,0,0,0|1,0,0]=2 18 B4R0.1 CC(O)CCl BBL011446 [0,1,0,0,0,0|0,1,0]=2 19 B4R0.1 CC(O)CN BBL027685 [0,1,0,0,0,0|0,1,0]=2 20 B4R0.1 CC(O)CO BBL011472 [0,1,0,0,0,0|0,1,0]=2 21 B4R0.1 CCC(C)O BBL011463 [0,1,0,0,0,0|0,1,0]=2 22 B4R0.1 CNC(=N)N BBL011356 [0,1,0,0,0,0|2,0,1]=4 23 B4R0.1 CNC(N)=O BBL013131 [0,1,0,0,0,0|1,1,1]=4 24 B4R0.1 COC(=N)N BBL009722 [0,1,0,0,0,0|2,0,1]=4 25 B4R0.1 COC(=O)Cl BBL011482 [0,1,0,0,0,0|1,1,1]=4 26 B4R0.1 COC(N)=O BBL011430 [0,1,0,0,0,0|1,1,1]=4 27 B4R0.1 CSC(=N)N BBL013049 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 C\C(N)=N\O BBL005334 [0,1,0,0,0,0|1,1,1]=4 29 B4R0.1 NCC(F)F BBL104334 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(Br)CBr BBL027286 [0,1,0,0,0,0|1,1,1]=4 31 B4R0.1 O=C(Cl)CCl BBL013127 [0,1,0,0,0,0|1,1,1]=4 32 B4R0.1 O=C(O)CCl BBL037260 [0,1,0,0,0,0|1,1,1]=4 33 B4R0.1 OCC(F)F BBL038231 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.3 CC(C)(C)[O-] BBL011485 [0,1,0,0,0,0|0,1,0]=2 35 B1R0.1 CI BBL034228 [2,0,0,0,0,0|1,0,0]=3 36 B1R0.1 C[S-] BBL035347 [2,0,0,0,0,0|0,0,1]=3 37 B3R0.1 C#CCN BBL027696 [1,1,0,0,0,0|0,0,2]=4 38 B3R0.1 C#CCO BBL011350 [1,1,0,0,0,0|0,0,2]=4 39 B3R0.1 CN=C=S BBL011120 [1,1,0,0,0,0|0,0,2]=4 40 B3R0.1 CNC=O BBL027430 [1,1,0,0,0,0|0,1,1]=4 41 B3R0.1 ClCCBr BBL011345 [1,1,0,0,0,0|1,0,0]=3 42 B3R0.1 N#CCN BBL009721 [1,1,0,0,0,0|1,0,1]=4 43 B3R0.1 NCCCl BBL011524 [1,1,0,0,0,0|1,0,0]=3 44 B3R0.1 OCCCl BBL011477 [1,1,0,0,0,0|0,1,0]=3 45 B3R0.1 OCCF BBL027407 [1,1,0,0,0,0|0,1,0]=3 46 B3R0.1 OCCI BBL037216 [1,1,0,0,0,0|0,1,0]=3 47 B3R0.1 SCCS BBL011363 [1,1,0,0,0,0|0,0,0]=2 48 B5R0.1 C#CCN(C)C BBL027718 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 C=C(C)CCO BBL027415 [0,2,0,0,0,0|1,0,1]=4 50 B5R0.1 CC(=O)CCO BBL028076 [0,2,0,0,0,0|0,1,1]=4 51 B5R0.1 CC(C)=CCO BBL011665 [0,2,0,0,0,0|0,1,1]=4 52 B5R0.1 CC(C)CC=O BBL027631 [0,2,0,0,0,0|0,1,0]=3 53 B5R0.1 CC(C)CCBr BBL011503 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.1 CC(C)CCS BBL027486 [0,2,0,0,0,0|0,0,0]=2 55 B5R0.1 CC(C)N=C=O BBL037676 [0,2,0,0,0,0|0,1,0]=3 56 B5R0.1 CC(O)CCO BBL037424 [0,2,0,0,0,0|0,1,0]=3 57 B5R0.1 CCCC(C)O BBL011460 [0,2,0,0,0,0|0,1,0]=3 58 B5R0.1 CSCC(C)=O BBL100878 [0,2,0,0,0,0|0,1,1]=4 59 B5R0.3 CCC(=O)CC BBL027755 [0,2,0,0,0,0|0,1,1]=4 60 B5R0.3 CCC(N)CO BBL027677 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.3 CNC(=O)NC BBL011513 [0,2,0,0,0,0|0,1,1]=4 62 B5R0.3 COC(=O)CO BBL009725 [0,2,0,0,0,0|0,1,1]=4 63 B5R0.3 COC(=O)CS BBL011360 [0,2,0,0,0,0|0,1,1]=4 64 B5R0.3 ClCC(Cl)CCl BBL010950 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.3 NCC(O)CN BBL011378 [0,2,0,0,0,0|0,1,0]=3 66 B5R0.3 OCC(O)CCl BBL011374 [0,2,0,0,0,0|0,1,0]=3 67 B5R0.4 C#CC(C)(C)O BBL011368 [0,2,0,0,0,0|0,1,0]=3 68 B5R0.4 CC(C)(C)NN BBL036306 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.4 CC(C)(N)CO BBL023024 [0,2,0,0,0,0|0,1,0]=3 70 B5R0.4 CC(C)(O)C#N BBL011349 [0,2,0,0,0,0|0,1,0]=3 71 B5R0.4 C[Si](C)(C)C#N BBL036271 [0,2,0,0,0,0|1,1,0]=4 72 B5R0.4 OCC(F)(F)F BBL008539 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.5 CC(=O)C(F)F BBL039784 [0,2,0,0,0,0|0,1,1]=4 74 B5R0.5 CC(C)C(=N)N BBL011900 [0,2,0,0,0,0|1,0,0]=3 75 B5R0.5 CC(C)[N+](=O)[O-] BBL011484 [0,2,0,0,0,0|0,1,0]=3 76 B5R0.5 CC(O)C(=O)O BBL027466 [0,2,0,0,0,0|0,1,1]=4 77 B5R0.5 CC(O)C(N)=O BBL012097 [0,2,0,0,0,0|0,1,1]=4 78 B5R0.5 CC(S)C(=O)O BBL011561 [0,2,0,0,0,0|0,0,1]=3 79 B5R0.5 CN(C)C(=N)N BBL029880 [0,2,0,0,0,0|2,0,0]=4 80 B5R0.5 CN(C)C(=O)Cl BBL027301 [0,2,0,0,0,0|1,1,0]=4 81 B5R0.5 CN(C)C(=S)Cl BBL027489 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.5 CN(C)C(=S)[S-] BBL012267 [0,2,0,0,0,0|1,0,1]=4 83 B5R0.5 C[C@H](N)C(N)=O BBL011232 [0,2,0,0,0,0|1,0,1]=4 84 B5R1.2 OC1CNC1 BBL023120 [0,1,0,1,0,0|0,1,0]=3 85 B5R1.3 CCC1CO1 BBL011530 [0,1,0,1,0,0|0,1,0]=3 86 B5R1.3 NCC1CC1 BBL027928 [0,1,0,1,0,0|1,0,0]=3 87 B5R1.3 O=CC1CC1 BBL034662 [0,1,0,1,0,0|0,1,0]=3