0 B4R0.1 C/C(N)=N/O AC511072 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 CC(=C)CBr AC500207 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.1 CC(=O)CN AC511171 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=O)NN AC130308 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)NO AC130286 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)NN AC130058 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.1 CC(C)ON AC511892 [0,0,0,0,0,0|2,0,1]=3 8 B4R0.1 CC(N)CO AC510879 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CCB(O)O AC090161 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CCC(N)=N AC512090 [0,0,0,0,0,0|3,0,0]=3 11 B4R0.1 CNN(C)C AC021456 [0,0,0,0,0,0|3,0,0]=3 12 B4R0.1 C[C@@H](O)CN AC180581 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 C[C@H](N)CO AC511021 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 NC(=N)CCl AC070120 [0,0,0,0,0,0|4,0,0]=4 15 B4R0.1 NC(=O)CBr AC500017 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 NCC(N)=O AC511550 [0,0,0,0,0,0|3,0,0]=3 18 B4R0.1 NNC(N)=N HY-B1041 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 NNC(N)=O AC131764 [0,0,0,0,0,0|3,0,0]=3 20 B4R0.1 ON=C(Br)Br AC510358 [0,0,0,0,0,0|4,0,0]=4 21 B3R0.1 CCC[CH2-] AC310111 [1,0,0,0,0,0|1,0,2]=4 22 B3R0.1 CNOC AC130092 [1,0,0,0,0,0|1,0,0]=2 23 B3R0.2 CB(O)O AC500190 [1,0,0,0,0,0|1,0,1]=3 24 B3R0.2 CC(=O)[O-] LN00194400 [1,0,0,0,0,0|0,0,1]=2 25 B3R0.2 CC(N)=S AC510891 [1,0,0,0,0,0|1,1,0]=3 26 B3R0.2 CC([O-])=O AC180064 [1,0,0,0,0,0|0,0,1]=2 27 B3R0.2 CC([O-])=O AC180277 [1,0,0,0,0,0|0,0,1]=2 28 B3R0.2 CC([O-])=O AC511050 [1,0,0,0,0,0|0,0,1]=2 29 B3R0.2 CN(C)C AC130299 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.2 CP(C)=O AC130246 [1,0,0,0,0,0|1,0,0]=2 31 B3R0.2 NC(N)=N HY-B0178A [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CC(=O)CC#N AC511126 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.1 CC(N)CCO AC511165 [0,1,0,0,0,0|2,0,1]=4 34 B5R0.1 CCCC([O-])=O HY-B0350A [0,1,0,0,0,0|2,0,0]=3 35 B5R0.1 CCOC(C)=N AC510695 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.1 CCOC(N)=O HY-B1207 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.1 CCOC([S-])=S AC510653 [0,1,0,0,0,0|1,1,0]=3 38 B5R0.1 CN(C)CCBr AC500092 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 CN(C)CCBr LN00009696 [0,1,0,0,0,0|3,0,0]=4 40 B5R0.1 CNCC(O)=O AC500168 [0,1,0,0,0,0|2,0,0]=3 41 B5R0.1 COCC(N)=N AC182354 [0,1,0,0,0,0|2,0,0]=3 42 B5R0.1 C[C@@H](O)CCO AC500114 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 C[C@H](N)CCO AC512035 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 NCCC(N)=O AC510910 [0,1,0,0,0,0|2,0,0]=3 45 B5R0.1 NCCS(O)=O HY-100803 [0,1,0,0,0,0|3,0,0]=4 46 B5R0.1 OC(=O)CC#C AC511130 [0,1,0,0,0,0|2,0,1]=4 47 B5R0.1 OCC[N+]([O-])=O AC510890 [0,1,0,0,0,0|3,0,0]=4 48 B5R0.3 CCC(=N)NO AC050497 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.3 COC(=O)CO AC190202 [0,1,0,0,0,0|0,0,0]=1 50 B5R0.3 COC(=S)NN AC060048 [0,1,0,0,0,0|1,1,0]=3 51 B5R0.3 OCC(=C)CO AC511178 [0,1,0,0,0,0|3,0,0]=4 52 B5R0.4 CC(C)(C)ON AC210024 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.4 CCS(N)(=O)=O AC181603 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.4 CNS(=O)(=O)N LN01477704 [0,1,0,0,0,0|3,0,0]=4 55 B5R0.4 COS(C)(=O)=O AC511052 [0,1,0,0,0,0|1,0,0]=2 56 B5R0.4 CSS(C)(=O)=O AC280012 [0,1,0,0,0,0|1,1,0]=3 57 B5R0.4 NOS(O)(=O)=O AC130279 [0,1,0,0,0,0|3,0,0]=4 58 B5R0.5 CC(=O)C(O)=O AC500188 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.5 CC(C(=N)O)N LN00156053 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.5 OC(=O)C(F)=C AC511915 [0,1,0,0,0,0|2,0,1]=4 61 B5R1.2 O=C1CCC1 AC130256 [0,0,0,1,0,0|1,0,0]=2 62 B5R1.2 O=C1COC1 AC130304 [0,0,0,1,0,0|2,0,0]=3 63 B5R1.2 O=C1CSC1 AC010018 [0,0,0,1,0,0|2,0,0]=3 64 B5R1.5 CC1(N)CC1 AC182620 [0,0,0,1,0,0|2,0,1]=4 65 B2R0.1 CC#N AC180295 [2,0,0,0,0,0|1,0,1]=4 66 B2R0.1 CCBr AC190165 [2,0,0,0,0,0|1,0,1]=4 67 B2R0.1 CNO AC500043 [2,0,0,0,0,0|1,0,0]=3 68 B2R0.1 CON AC131051 [2,0,0,0,0,0|1,0,0]=3 69 B2R0.1 NC=N AC510902 [2,0,0,0,0,0|2,0,0]=4 70 B2R0.1 [CH2-]C=C LN00238817 [2,0,0,0,0,0|0,0,2]=4 71 B4R0.2 CNCCN AC182659 [1,1,0,0,0,0|1,0,1]=4 72 B4R0.2 CNCCO AC500171 [1,1,0,0,0,0|1,0,1]=4 73 B4R0.3 CS(=O)(=S)[O-] LN01307937 [1,1,0,0,0,0|1,0,1]=4 74 B4R0.3 CS(C)(=N)=O AC051108 [1,1,0,0,0,0|1,0,0]=3 75 B4R0.3 C[N+](C)(C)C AC131040 [1,1,0,0,0,0|2,0,0]=4 76 B4R0.3 OS(O)(=O)=O AC500295 [1,1,0,0,0,0|2,0,0]=4 77 B6R0.1 CCOC(=O)CI AC131813 [0,2,0,0,0,0|0,0,0]=2 78 B6R0.1 CCOC(=O)CO AC130521 [0,2,0,0,0,0|0,0,0]=2 79 B6R0.1 CCOC(=O)CS AC130132 [0,2,0,0,0,0|0,0,0]=2 80 B6R0.1 COC(=O)CCBr AC511067 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.1 COC(=O)CCN AC510724 [0,2,0,0,0,0|0,0,0]=2 82 B6R0.1 NNC(=O)CC#N AC130190 [0,2,0,0,0,0|2,0,0]=4 83 B6R0.1 NNC(=O)CC#N HY-B0994 [0,2,0,0,0,0|2,0,0]=4 84 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|2,0,0]=4 85 B6R0.2 CN(C)CC(O)=O AC130146 [0,2,0,0,0,0|2,0,0]=4 86 B6R0.2 CN(C)CC(O)=O AC130178 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,2,0,0,0,0|2,0,0]=4 89 B6R0.3 CCC(=O)N(C)C AC130337 [0,2,0,0,0,0|1,0,0]=3 90 B6R0.3 CCC(C)C(O)=O AC180050 [0,2,0,0,0,0|1,0,1]=4 91 B6R0.3 CCC(N)C(N)=O AC021619 [0,2,0,0,0,0|2,0,0]=4 92 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,2,0,0,0,0|2,0,0]=4 93 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,2,0,0,0,0|2,0,0]=4 94 B6R0.3 CN(C)C(=O)CBr AC511120 [0,2,0,0,0,0|1,0,0]=3 95 B6R0.3 CN(C)C(=O)CN AC190042 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.3 COC(=O)C(C)C AC130130 [0,2,0,0,0,0|0,0,0]=2 97 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,2,0,0,0,0|0,0,0]=2 98 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,2,0,0,0,0|0,0,0]=2 99 B6R0.3 COC(C)C(O)=O AC511149 [0,2,0,0,0,0|0,0,1]=3 100 B6R0.3 CON(C)C(C)=O AC130053 [0,2,0,0,0,0|0,0,0]=2 101 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,2,0,0,0,0|0,0,1]=3 102 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,2,0,0,0,0|2,0,0]=4 103 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,2,0,0,0,0|2,0,0]=4 104 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.3 OC(=O)C(=O)CBr HY-19992 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.4 CC(=O)CCCCl AC511746 [0,2,0,0,0,0|1,0,0]=3 107 B6R0.4 CC(=O)OCCBr AC511000 [0,2,0,0,0,0|0,0,0]=2 108 B6R0.4 CC(C)OCCBr AC512105 [0,2,0,0,0,0|1,0,1]=4 109 B6R0.4 CCCOC(N)=O AC512151 [0,2,0,0,0,0|1,0,0]=3 110 B6R0.4 COCCC(O)=O AC100057 [0,2,0,0,0,0|1,0,0]=3 111 B6R0.4 CSCCC(O)=O HY-101401 [0,2,0,0,0,0|1,1,0]=4 112 B6R0.4 OC(=O)CCC#C AC510868 [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 OC(=O)CCC#N AC512077 [0,2,0,0,0,0|2,0,0]=4 114 B6R0.4 OC(=O)CCC=C AC511045 [0,2,0,0,0,0|2,0,0]=4 115 B6R0.4 OC(=O)CCCBr AC511629 [0,2,0,0,0,0|2,0,0]=4 116 B6R0.4 [O-]C(=O)CCC#C HY-15286 [0,2,0,0,0,0|2,0,0]=4 117 B6R0.5 CS(=O)(=O)CCN AC181731 [0,2,0,0,0,0|2,0,0]=4 118 B6R0.9 COC(CBr)OC AC510940 [0,2,0,0,0,0|0,0,2]=4 119 B6R0.7 CC(C)(Br)C(N)=O AC511105 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.7 CC(C)(Br)C(O)=O AC130551 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.7 CC(C)(C)C(O)=O AC190056 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.7 CC(C)(N)C(O)=O AC510892 [0,2,0,0,0,0|2,0,0]=4 123 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [0,2,0,0,0,0|2,0,0]=4 124 B6R0.7 CC(F)(F)C(O)=O AC220123 [0,2,0,0,0,0|2,0,0]=4 125 B4R1.1 C1CNC1 AC510737 [1,0,0,1,0,0|1,0,1]=4 126 B4R1.1 C1CNC1 LN00174679 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 BrC1CCOC1 AC190141 [0,1,0,1,0,0|1,0,1]=4 128 B6R1.2 C1COCC1I LN00003379 [0,1,0,1,0,0|1,0,1]=4 129 B6R1.2 C1COC[C@H]1O LN00007278 [0,1,0,1,0,0|0,0,2]=4 130 B6R1.2 C1CSCC1=O LN00009539 [0,1,0,1,0,0|0,1,0]=3 131 B6R1.2 CC1=CCCC1 AC220188 [0,1,0,1,0,0|2,0,0]=4 132 B6R1.2 ClC1CCOC1 AC220018 [0,1,0,1,0,0|1,0,1]=4 133 B6R1.2 IC1CCOC1 AC220019 [0,1,0,1,0,0|1,0,1]=4 134 B6R1.2 NC1=NCCC1 AC020022 [0,1,0,1,0,0|2,0,0]=4 135 B6R1.2 NC1CCOC1 AC220015 [0,1,0,1,0,0|1,0,1]=4 136 B6R1.2 O=C1CC=NN1 AC250038 [0,1,0,1,0,0|1,0,1]=4 137 B6R1.2 O=C1CCNC1 AC220156 [0,1,0,1,0,0|1,0,0]=3 138 B6R1.2 O=C1CCNC1 AC511910 [0,1,0,1,0,0|1,0,0]=3 139 B6R1.2 O=C1CCNN1 AC130160 [0,1,0,1,0,0|1,0,0]=3 140 B6R1.2 O=C1CCOC1 AC220014 [0,1,0,1,0,0|0,0,0]=2 141 B6R1.2 O=C1NCCO1 AC510795 [0,1,0,1,0,0|0,0,0]=2 142 B6R1.2 OC1CCOC1 AC021063 [0,1,0,1,0,0|0,0,2]=4 143 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,1,0,1,0,0|0,0,2]=4 144 B6R1.2 O[C@H]1CCOC1 AC180577 [0,1,0,1,0,0|0,0,2]=4 145 B6R1.10 CC1(O)COC1 AC511231 [0,1,0,1,0,0|0,0,2]=4 146 B6R1.11 OC(=O)C1CC1 AC500051 [0,1,0,1,0,0|2,0,0]=4 147 B6R1.6 C1COC1CO LN00172179 [0,1,0,1,0,0|0,0,2]=4 148 B6R1.6 COC1CNC1 AC510658 [0,1,0,1,0,0|1,0,1]=4 149 B6R1.6 O=CC1CCC1 AC050499 [0,1,0,1,0,0|1,0,1]=4