0 B3R0.1 CCC[CH2-] AC310111 [0,0,0,0,0,0|1,0,0]=1 1 B3R0.1 CNOC AC130092 [0,0,0,0,0,0|3,0,0]=3 2 B3R0.1 NCCBr AC500278 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.1 NCCS HY-77591 [0,0,0,0,0,0|1,0,0]=1 4 B3R0.1 NCCS HY-77591A [0,0,0,0,0,0|1,0,0]=1 5 B3R0.1 OCCF AC500326 [0,0,0,0,0,0|1,1,0]=2 6 B2R0.1 CC#N AC180295 [1,0,0,0,0,0|1,0,1]=3 7 B2R0.1 CCBr AC190165 [1,0,0,0,0,0|1,0,0]=2 8 B2R0.1 CNO AC500043 [1,0,0,0,0,0|1,1,0]=3 9 B2R0.1 CON AC131051 [1,0,0,0,0,0|2,0,0]=3 10 B2R0.1 Cl[Pt]Cl HY-17394 [1,0,0,0,0,0|3,0,0]=4 11 B2R0.1 NC=N AC510902 [1,0,0,0,0,0|2,0,1]=4 12 B2R0.1 [CH2-]C=C LN00238817 [1,0,0,0,0,0|0,0,3]=4 13 B4R0.1 C/C(N)=N/O AC511072 [0,1,0,0,0,0|1,1,1]=4 14 B4R0.1 CC(=C)CBr AC500207 [0,1,0,0,0,0|1,0,1]=3 15 B4R0.1 CC(=O)CN AC511171 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CC(=O)NN AC130308 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CC(=O)NO AC130286 [0,1,0,0,0,0|1,1,1]=4 18 B4R0.1 CC(=O)NO HY-B1235 [0,1,0,0,0,0|1,1,1]=4 19 B4R0.1 CC(C)NN AC130058 [0,1,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(C)ON AC511892 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(N)CO AC510879 [0,1,0,0,0,0|0,1,0]=2 22 B4R0.1 CCB(O)O AC090161 [0,1,0,0,0,0|1,1,0]=3 23 B4R0.1 CCC(N)=N AC512090 [0,1,0,0,0,0|1,0,1]=3 24 B4R0.1 CNN(C)C AC021456 [0,1,0,0,0,0|3,0,0]=4 25 B4R0.1 C[C@@H](O)CN AC180581 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.1 C[C@H](N)CO AC511021 [0,1,0,0,0,0|0,1,0]=2 27 B4R0.1 NC(=N)CCl AC070120 [0,1,0,0,0,0|2,0,1]=4 28 B4R0.1 NC(=O)CBr AC500017 [0,1,0,0,0,0|1,1,1]=4 29 B4R0.1 NCC(N)=O AC511550 [0,1,0,0,0,0|1,1,1]=4 30 B4R0.2 BrCCC#N AC130357 [0,1,0,0,0,0|1,0,1]=3 31 B4R0.2 C=CCNN LN00005406 [0,1,0,0,0,0|1,0,2]=4 32 B4R0.2 CNCC#N AC180278 [0,1,0,0,0,0|1,0,1]=3 33 B4R0.2 CNCCN AC182659 [0,1,0,0,0,0|1,0,0]=2 34 B4R0.2 CNCCO AC500171 [0,1,0,0,0,0|0,1,0]=2 35 B4R0.2 ClCCCI AC511281 [0,1,0,0,0,0|1,0,0]=2 36 B4R0.2 NCCC#N AC130167 [0,1,0,0,0,0|1,0,1]=3 37 B4R0.2 NOCC#C AC010099 [0,1,0,0,0,0|0,1,2]=4 38 B4R0.2 OCCC#C AC180055 [0,1,0,0,0,0|0,1,1]=3 39 B4R0.2 OCCC#N AC130358 [0,1,0,0,0,0|0,1,1]=3 40 B4R0.2 OCCCBr AC500014 [0,1,0,0,0,0|0,1,0]=2 41 B4R0.2 OCCCO AC510799 [0,1,0,0,0,0|0,1,0]=2 42 B4R1.1 C1CNC1 AC510737 [0,0,0,1,0,0|1,0,0]=2 43 B4R1.1 C1CNC1 LN00174679 [0,0,0,1,0,0|1,0,0]=2 44 B4R1.2 NC1CC1 AC130048 [0,0,0,1,0,0|1,0,0]=2 45 B1R0.1 CC HY-P0029 [2,0,0,0,0,0|0,0,0]=2 46 B1R0.1 CC HY-P0069 [2,0,0,0,0,0|0,0,0]=2 47 B1R0.1 CC HY-P0070 [2,0,0,0,0,0|0,0,0]=2 48 B1R0.1 F[Na] HY-B1766 [2,0,0,0,0,0|2,0,0]=4 49 B3R0.2 C(Br)(Br)F LN00222122 [1,1,0,0,0,0|2,0,0]=4 50 B3R0.2 CB(O)O AC500190 [1,1,0,0,0,0|1,1,0]=4 51 B3R0.2 CC(=O)[O-] LN00194400 [1,1,0,0,0,0|0,1,1]=4 52 B3R0.2 CC(N)=S AC510891 [1,1,0,0,0,0|0,0,2]=4 53 B3R0.2 CC([O-])=O AC180064 [1,1,0,0,0,0|0,1,1]=4 54 B3R0.2 CC([O-])=O AC180277 [1,1,0,0,0,0|0,1,1]=4 55 B3R0.2 CC([O-])=O AC511050 [1,1,0,0,0,0|0,1,1]=4 56 B3R0.2 CN(C)C AC130299 [1,1,0,0,0,0|1,0,0]=3 57 B3R0.2 CP(C)=O AC130246 [1,1,0,0,0,0|1,0,0]=3 58 B5R0.1 CC(=O)CC#N AC511126 [0,2,0,0,0,0|1,0,1]=4 59 B5R0.1 CC(C)/C=N/O AC010411 [0,2,0,0,0,0|0,1,1]=4 60 B5R0.1 CC(N)CC#N AC120042 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.1 CC(N)CCO AC511165 [0,2,0,0,0,0|0,1,0]=3 62 B5R0.1 CCCB(O)O AC500236 [0,2,0,0,0,0|0,1,0]=3 63 B5R0.1 CCCC([O-])=O HY-B0350A [0,2,0,0,0,0|0,1,0]=3 64 B5R0.1 CCOC(C)=N AC510695 [0,2,0,0,0,0|1,0,1]=4 65 B5R0.1 CCOC(N)=O HY-B1207 [0,2,0,0,0,0|0,1,1]=4 66 B5R0.1 CCOC([S-])=S AC510653 [0,2,0,0,0,0|0,0,2]=4 67 B5R0.1 CN(C)CCBr AC500092 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.1 CN(C)CCBr LN00009696 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.1 CNCC(O)=O AC500168 [0,2,0,0,0,0|0,1,1]=4 70 B5R0.1 COCC(N)=N AC182354 [0,2,0,0,0,0|1,0,1]=4 71 B5R0.1 C[C@@H](O)CCO AC500114 [0,2,0,0,0,0|0,1,0]=3 72 B5R0.1 C[C@H](N)CCO AC512035 [0,2,0,0,0,0|0,1,0]=3 73 B5R0.1 NCCC(N)=O AC510910 [0,2,0,0,0,0|0,1,1]=4 74 B5R0.1 NCCS(O)=O HY-100803 [0,2,0,0,0,0|1,0,1]=4 75 B5R0.1 OCC[N+]([O-])=O AC510890 [0,2,0,0,0,0|1,1,0]=4 76 B5R0.3 C(C(CN)O)N LN00002764 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.3 CCC(=N)NO AC050497 [0,2,0,0,0,0|0,1,1]=4 78 B5R0.3 COC(=O)CO AC190202 [0,2,0,0,0,0|0,1,1]=4 79 B5R0.3 NC(CO)CO AC500076 [0,2,0,0,0,0|0,1,0]=3 80 B5R0.3 NCC(O)CN AC131522 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.3 NCC(O)CO AC180224 [0,2,0,0,0,0|0,1,0]=3 82 B5R0.3 NC[C@@H](O)CO AC181109 [0,2,0,0,0,0|0,1,0]=3 83 B5R0.3 OCC(=C)CO AC511178 [0,2,0,0,0,0|0,1,1]=4 84 B5R0.3 OCC(O)CO HY-B1659 [0,2,0,0,0,0|0,1,0]=3 85 B5R0.3 OC[C@@H](O)CCl AC510842 [0,2,0,0,0,0|0,1,0]=3 86 B5R0.4 CC(C)(C)NN AC190172 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.4 CC(C)(C)ON AC210024 [0,2,0,0,0,0|2,0,0]=4 88 B5R0.4 CC(C)(F)CO AC130344 [0,2,0,0,0,0|0,1,0]=3 89 B5R0.4 CC(C)(O)CN AC500020 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.4 CC(C)(O)CO AC511880 [0,2,0,0,0,0|0,1,0]=3 91 B5R0.4 CC(F)(F)CO AC220122 [0,2,0,0,0,0|0,1,0]=3 92 B5R0.4 CCS(N)(=O)=O AC181603 [0,2,0,0,0,0|1,1,0]=4 93 B5R0.4 FC(F)(F)CI AC130298 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.4 FC(F)(F)CS AC130244 [0,2,0,0,0,0|1,0,0]=3 95 B5R0.4 NCC(F)(F)F AC500328 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.4 OCC(Br)(Br)Br HY-B1372 [0,2,0,0,0,0|1,1,0]=4 97 B5R0.5 CC(C(=N)O)N LN00156053 [0,2,0,0,0,0|0,1,1]=4 98 B5R0.5 CC(C)B(O)O AC190241 [0,2,0,0,0,0|1,1,0]=4 99 B5R0.2 BrCCCC#N AC190285 [0,2,0,0,0,0|1,0,0]=3 100 B5R0.2 BrCCCC=C AC500173 [0,2,0,0,0,0|1,0,0]=3 101 B5R0.2 C#CCCCN LN00001154 [0,2,0,0,0,0|1,0,0]=3 102 B5R0.2 C(CCI)CCl LN00199790 [0,2,0,0,0,0|1,0,0]=3 103 B5R0.2 CCO\C=C\Br LN00003736 [0,2,0,0,0,0|1,0,1]=4 104 B5R0.2 CNCCCO AC510766 [0,2,0,0,0,0|0,1,0]=3 105 B5R0.2 COCCNN LN00005546 [0,2,0,0,0,0|1,0,0]=3 106 B5R0.2 ClCCCC#N AC130176 [0,2,0,0,0,0|1,0,0]=3 107 B5R0.2 NCCCCBr AC511924 [0,2,0,0,0,0|1,0,0]=3 108 B5R0.2 NCCCCO AC180225 [0,2,0,0,0,0|0,1,0]=3 109 B5R0.2 NNCCC#N AC170061 [0,2,0,0,0,0|1,0,1]=4 110 B5R0.2 OCCCC#N AC130359 [0,2,0,0,0,0|0,1,0]=3 111 B5R0.2 OCCCCBr AC030135 [0,2,0,0,0,0|0,1,0]=3 112 B5R1.2 BrC1COC1 AC040038 [0,1,0,1,0,0|0,1,0]=3 113 B5R1.2 C1C(CO1)N LN00218236 [0,1,0,1,0,0|0,1,0]=3 114 B5R1.2 CC1CNC1 LN00002078 [0,1,0,1,0,0|1,0,0]=3 115 B5R1.2 FC1CNC1 AC160493 [0,1,0,1,0,0|1,0,0]=3 116 B5R1.2 IC1COC1 AC510710 [0,1,0,1,0,0|0,1,0]=3 117 B5R1.2 NC1COC1 AC050462 [0,1,0,1,0,0|0,1,0]=3 118 B5R1.2 O=C1CCC1 AC130256 [0,1,0,1,0,0|0,1,0]=3 119 B5R1.2 O=C1COC1 AC130304 [0,1,0,1,0,0|0,1,1]=4 120 B5R1.2 O=C1CSC1 AC010018 [0,1,0,1,0,0|0,0,1]=3 121 B5R1.2 OC1CNC1 AC181502 [0,1,0,1,0,0|0,1,0]=3 122 B5R1.2 OC1COC1 AC510959 [0,1,0,1,0,0|0,1,0]=3 123 B5R1.3 C1CC1NN LN01252087 [0,1,0,1,0,0|1,0,0]=3 124 B5R1.3 N#CC1CC1 AC130285 [0,1,0,1,0,0|1,0,0]=3 125 B5R1.3 NCC1CC1 AC030129 [0,1,0,1,0,0|1,0,0]=3 126 B5R1.3 NNC1CC1 AC040018 [0,1,0,1,0,0|1,0,0]=3 127 B5R1.3 NNC1CC1 AC050915 [0,1,0,1,0,0|1,0,0]=3 128 B5R1.5 CC1(N)CC1 AC182620 [0,1,0,1,0,0|1,0,0]=3 129 B5R1.1 C1CC=CO1 AC220197 [0,1,0,1,0,0|0,1,1]=4 130 B5R1.1 C1CSCN1 AC021375 [0,1,0,1,0,0|0,0,0]=2