0 B4R0.1 C/C(N)=N/O AC511072 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(=C)CBr AC500207 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 CC(=O)CN AC511171 [0,0,0,0,0,0|1,0,2]=3 3 B4R0.1 CC(=O)NN AC130308 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=O)NO AC130286 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.1 CC(=O)NO HY-B1235 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.1 CC(C)NN AC130058 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(C)ON AC511892 [0,0,0,0,0,0|3,0,0]=3 8 B4R0.1 CC(N)CO AC510879 [0,0,0,0,0,0|1,0,0]=1 9 B4R0.1 CCB(O)O AC090161 [0,0,0,0,0,0|3,0,0]=3 10 B4R0.1 CCC(N)=N AC512090 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CNN(C)C AC021456 [0,0,0,0,0,0|4,0,0]=4 12 B4R0.1 C[C@@H](O)CN AC180581 [0,0,0,0,0,0|1,0,0]=1 13 B4R0.1 C[C@H](N)CO AC511021 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 NC(=N)CCl AC070120 [0,0,0,0,0,0|3,0,1]=4 15 B4R0.1 NC(=O)CBr AC500017 [0,0,0,0,0,0|2,0,2]=4 16 B4R0.1 NC(=O)NO HY-B0313 [0,0,0,0,0,0|2,0,2]=4 17 B4R0.1 NCC(N)=O AC511550 [0,0,0,0,0,0|2,0,2]=4 18 B4R0.1 ON=C(Br)Br AC510358 [0,0,0,0,0,0|3,0,1]=4 19 B3R0.1 CCC[CH2-] AC310111 [1,0,0,0,0,0|1,0,0]=2 20 B3R0.1 CNOC AC130092 [1,0,0,0,0,0|3,0,0]=4 21 B3R0.1 NCCBr AC500278 [1,0,0,0,0,0|2,0,0]=3 22 B3R0.1 NCCS HY-77591 [1,0,0,0,0,0|1,1,0]=3 23 B3R0.1 NCCS HY-77591A [1,0,0,0,0,0|1,1,0]=3 24 B3R0.1 OCCF AC500326 [1,0,0,0,0,0|1,0,0]=2 25 B3R0.2 C(Br)(Br)F LN00222122 [1,0,0,0,0,0|3,0,0]=4 26 B3R0.2 CB(O)O AC500190 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.2 CC(=O)[O-] LN00194400 [1,0,0,0,0,0|0,0,3]=4 28 B3R0.2 CC(N)=S AC510891 [1,0,0,0,0,0|1,1,1]=4 29 B3R0.2 CC([O-])=O AC180064 [1,0,0,0,0,0|0,0,3]=4 30 B3R0.2 CC([O-])=O AC180277 [1,0,0,0,0,0|0,0,3]=4 31 B3R0.2 CC([O-])=O AC511050 [1,0,0,0,0,0|0,0,3]=4 32 B3R0.2 CN(C)C AC130299 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.2 CP(C)=O AC130246 [1,0,0,0,0,0|1,0,1]=3 34 B5R0.1 CC(=O)CC#N AC511126 [0,1,0,0,0,0|1,0,2]=4 35 B5R0.1 CC(C)/C=N/O AC010411 [0,1,0,0,0,0|1,0,1]=3 36 B5R0.1 CC(N)CC#N AC120042 [0,1,0,0,0,0|2,0,0]=3 37 B5R0.1 CC(N)CCO AC511165 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.1 CCCB(O)O AC500236 [0,1,0,0,0,0|3,0,0]=4 39 B5R0.1 CCOC(C)=N AC510695 [0,1,0,0,0,0|2,0,1]=4 40 B5R0.1 CN(C)CCBr AC500092 [0,1,0,0,0,0|3,0,0]=4 41 B5R0.1 CN(C)CCBr LN00009696 [0,1,0,0,0,0|3,0,0]=4 42 B5R0.1 CNCC(O)=O AC500168 [0,1,0,0,0,0|2,0,1]=4 43 B5R0.1 COCC(N)=N AC182354 [0,1,0,0,0,0|2,0,1]=4 44 B5R0.1 C[C@@H](O)CCO AC500114 [0,1,0,0,0,0|0,0,0]=1 45 B5R0.1 C[C@H](N)CCO AC512035 [0,1,0,0,0,0|1,0,0]=2 46 B5R0.1 NCCS(O)=O HY-100803 [0,1,0,0,0,0|3,0,0]=4 47 B5R0.1 OC(=O)CC#C AC511130 [0,1,0,0,0,0|2,0,1]=4 48 B5R0.1 OCC[N+]([O-])=O AC510890 [0,1,0,0,0,0|2,0,1]=4 49 B5R0.3 C(C(CN)O)N LN00002764 [0,1,0,0,0,0|1,0,0]=2 50 B5R0.3 CCC(=N)NO AC050497 [0,1,0,0,0,0|2,0,1]=4 51 B5R0.3 COC(=O)CO AC190202 [0,1,0,0,0,0|0,0,2]=3 52 B5R0.3 NC(CO)CO AC500076 [0,1,0,0,0,0|1,0,0]=2 53 B5R0.3 NCC(O)CN AC131522 [0,1,0,0,0,0|1,0,0]=2 54 B5R0.3 NCC(O)CO AC180224 [0,1,0,0,0,0|0,0,0]=1 55 B5R0.3 NC[C@@H](O)CO AC181109 [0,1,0,0,0,0|0,0,0]=1 56 B5R0.3 OCC(=C)CO AC511178 [0,1,0,0,0,0|0,0,2]=3 57 B5R0.3 OCC(O)CO HY-B1659 [0,1,0,0,0,0|0,0,0]=1 58 B5R0.3 OC[C@@H](O)CCl AC510842 [0,1,0,0,0,0|0,0,0]=1 59 B5R0.4 CC(C)(C)NN AC190172 [0,1,0,0,0,0|3,0,0]=4 60 B5R0.4 CC(C)(C)ON AC210024 [0,1,0,0,0,0|3,0,0]=4 61 B5R0.4 CC(C)(F)CO AC130344 [0,1,0,0,0,0|1,0,0]=2 62 B5R0.4 CC(C)(O)CN AC500020 [0,1,0,0,0,0|1,0,0]=2 63 B5R0.4 CC(C)(O)CO AC511880 [0,1,0,0,0,0|0,0,0]=1 64 B5R0.4 CC(F)(F)CO AC220122 [0,1,0,0,0,0|1,0,0]=2 65 B5R0.4 FC(F)(F)CI AC130298 [0,1,0,0,0,0|3,0,0]=4 66 B5R0.4 FC(F)(F)CS AC130244 [0,1,0,0,0,0|2,1,0]=4 67 B5R0.4 NCC(F)(F)F AC500328 [0,1,0,0,0,0|3,0,0]=4 68 B5R0.4 OCC(Br)(Br)Br HY-B1372 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.5 CC(=O)C(O)=O AC500188 [0,1,0,0,0,0|0,0,3]=4 70 B5R0.5 CC(C(=N)O)N LN00156053 [0,1,0,0,0,0|1,0,1]=3 71 B5R0.5 CC(C)B(O)O AC190241 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.5 OB(O)B(O)O AC511106 [0,1,0,0,0,0|3,0,0]=4 73 B5R1.2 BrC1COC1 AC040038 [0,0,0,1,0,0|1,0,0]=2 74 B5R1.2 C1C(CO1)N LN00218236 [0,0,0,1,0,0|1,0,0]=2 75 B5R1.2 CC1CNC1 LN00002078 [0,0,0,1,0,0|2,0,0]=3 76 B5R1.2 FC1CNC1 AC160493 [0,0,0,1,0,0|2,0,0]=3 77 B5R1.2 IC1COC1 AC510710 [0,0,0,1,0,0|1,0,0]=2 78 B5R1.2 NC1COC1 AC050462 [0,0,0,1,0,0|1,0,0]=2 79 B5R1.2 O=C1CCC1 AC130256 [0,0,0,1,0,0|1,0,2]=4 80 B5R1.2 O=C1COC1 AC130304 [0,0,0,1,0,0|0,0,2]=3 81 B5R1.2 O=C1CSC1 AC010018 [0,0,0,1,0,0|0,1,2]=4 82 B5R1.2 OC1CNC1 AC181502 [0,0,0,1,0,0|1,0,0]=2 83 B5R1.2 OC1COC1 AC510959 [0,0,0,1,0,0|0,0,0]=1 84 B5R1.3 C1CC1NN LN01252087 [0,0,0,1,0,0|3,0,0]=4 85 B5R1.3 N#CC1CC1 AC130285 [0,0,0,1,0,0|2,0,1]=4 86 B5R1.3 NCC1CC1 AC030129 [0,0,0,1,0,0|2,0,0]=3 87 B5R1.3 NNC1CC1 AC040018 [0,0,0,1,0,0|3,0,0]=4 88 B5R1.3 NNC1CC1 AC050915 [0,0,0,1,0,0|3,0,0]=4 89 B5R1.5 CC1(N)CC1 AC182620 [0,0,0,1,0,0|2,0,0]=3 90 B2R0.1 CC#N AC180295 [2,0,0,0,0,0|1,0,1]=4 91 B2R0.1 CCBr AC190165 [2,0,0,0,0,0|1,0,0]=3 92 B2R0.1 CNO AC500043 [2,0,0,0,0,0|1,0,0]=3 93 B2R0.1 CON AC131051 [2,0,0,0,0,0|2,0,0]=4 94 B4R0.2 BrCCC#N AC130357 [1,1,0,0,0,0|1,0,1]=4 95 B4R0.2 CNCC#N AC180278 [1,1,0,0,0,0|1,0,1]=4 96 B4R0.2 CNCCN AC182659 [1,1,0,0,0,0|1,0,0]=3 97 B4R0.2 CNCCO AC500171 [1,1,0,0,0,0|0,0,0]=2 98 B4R0.2 ClCCCI AC511281 [1,1,0,0,0,0|1,0,0]=3 99 B4R0.2 NCCC#N AC130167 [1,1,0,0,0,0|1,0,1]=4 100 B4R0.2 NOCC#C AC010099 [1,1,0,0,0,0|0,0,2]=4 101 B4R0.2 OCCC#C AC180055 [1,1,0,0,0,0|0,0,1]=3 102 B4R0.2 OCCC#N AC130358 [1,1,0,0,0,0|0,0,1]=3 103 B4R0.2 OCCCBr AC500014 [1,1,0,0,0,0|0,0,0]=2 104 B4R0.2 OCCCO AC510799 [1,1,0,0,0,0|0,0,0]=2 105 B4R0.3 CS(C)(=N)=O AC051108 [1,1,0,0,0,0|1,0,1]=4 106 B4R0.3 C[N+](C)(C)C AC131040 [1,1,0,0,0,0|2,0,0]=4 107 B4R0.3 OS(O)(=O)=O AC500295 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.1 CCC(C)CNC AC010501 [0,2,0,0,0,0|2,0,0]=4 109 B6R0.1 CCC(C)CNC AC010533 [0,2,0,0,0,0|2,0,0]=4 110 B6R0.1 CCCC(C)NC AC010486 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.1 CCCC(C)NC AC010524 [0,2,0,0,0,0|2,0,0]=4 112 B6R0.1 CCC[C@H](N)CO AC020141 [0,2,0,0,0,0|1,0,0]=3 113 B6R0.1 CCOC(=O)CO AC130521 [0,2,0,0,0,0|0,0,2]=4 114 B6R0.1 OC(CCl)CC#N AC130343 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.2 CC(C)CB(O)O AC090213 [0,2,0,0,0,0|1,0,0]=3 116 B6R0.2 CC(C)CB(O)O LN00119640 [0,2,0,0,0,0|1,0,0]=3 117 B6R0.2 CC(C)CC(N)=O HY-B1229 [0,2,0,0,0,0|1,0,1]=4 118 B6R0.2 CC(N)CN(C)C AC020477 [0,2,0,0,0,0|2,0,0]=4 119 B6R0.2 CN(C)CC(O)=O AC130146 [0,2,0,0,0,0|2,0,0]=4 120 B6R0.2 CN(C)CC(O)=O AC130178 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.2 C[C@@H](CC(=O)O)N LN01357699 [0,2,0,0,0,0|1,0,0]=3 122 B6R0.2 C[C@H](N)CC(O)=O AC130275 [0,2,0,0,0,0|1,0,0]=3 123 B6R0.3 CC(C)C(Cl)=NO AC010412 [0,2,0,0,0,0|1,0,1]=4 124 B6R0.3 CC(C)[C@@H](N)CO AC180576 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.3 CC(C)[C@H](N)CO AC510687 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.3 CCC(C)C(O)=O AC180050 [0,2,0,0,0,0|1,0,0]=3 127 B6R0.3 CC[C@@H](N)C(O)=O AC180579 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.3 CC[C@H](N)C(O)=O AC511519 [0,2,0,0,0,0|1,0,1]=4 129 B6R0.3 CNC(C)C(C)C AC010479 [0,2,0,0,0,0|2,0,0]=4 130 B6R0.3 CNC(C)C(C)C AC010530 [0,2,0,0,0,0|2,0,0]=4 131 B6R0.3 COC(=O)C(C)C AC130130 [0,2,0,0,0,0|1,0,1]=4 132 B6R0.3 COC(=O)[C@@H](C)N AC511504 [0,2,0,0,0,0|1,0,1]=4 133 B6R0.3 COC(=O)[C@H](C)N AC500273 [0,2,0,0,0,0|1,0,1]=4 134 B6R0.3 COC(C)C(O)=O AC511149 [0,2,0,0,0,0|0,0,1]=3 135 B6R0.3 CO[C@@H](C)C(O)=O AC100006 [0,2,0,0,0,0|0,0,1]=3 136 B6R0.3 NC[C@H](N)C(O)=O AC511517 [0,2,0,0,0,0|1,0,1]=4 137 B6R0.3 N[C@H](CO)C(O)=O AC180073 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.3 N[C@H](CS)C(O)=O AC180279 [0,2,0,0,0,0|1,0,1]=4 139 B6R0.4 CC(C)CCCO AC510897 [0,2,0,0,0,0|1,0,0]=3 140 B6R0.4 CC(C)OCCBr AC512105 [0,2,0,0,0,0|2,0,0]=4 141 B6R0.4 CNCCC(C)C AC010487 [0,2,0,0,0,0|2,0,0]=4 142 B6R0.4 CNCCC(C)C AC010537 [0,2,0,0,0,0|2,0,0]=4 143 B6R0.4 COCCC(O)=O AC100057 [0,2,0,0,0,0|1,0,1]=4 144 B6R0.5 CC(C)(C)CCBr AC020699 [0,2,0,0,0,0|2,0,0]=4 145 B6R0.5 CNCC(C)(C)C AC010541 [0,2,0,0,0,0|2,0,0]=4 146 B6R0.5 CNCC(C)(C)C AC010542 [0,2,0,0,0,0|2,0,0]=4 147 B6R0.5 C[N+](C)(C)CCO HY-B1337 [0,2,0,0,0,0|2,0,0]=4 148 B6R0.8 CC(C)(CBr)CBr AC200065 [0,2,0,0,0,0|2,0,0]=4 149 B6R0.8 CCC(C)(C)NC AC010546 [0,2,0,0,0,0|2,0,0]=4 150 B6R0.8 CCC(C)(C)NC AC010547 [0,2,0,0,0,0|2,0,0]=4 151 B6R0.8 CCC(C)(N)C#C AC182450 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.8 CCC(C)(N)C#N AC182467 [0,2,0,0,0,0|2,0,0]=4 153 B6R0.8 NCC(F)(F)CO AC050309 [0,2,0,0,0,0|1,0,0]=3 154 B6R0.8 NCC(F)(F)CO AC060034 [0,2,0,0,0,0|1,0,0]=3 155 B6R0.9 CCC(CC)NC AC010476 [0,2,0,0,0,0|2,0,0]=4 156 B6R0.9 CCC(CC)NC AC010527 [0,2,0,0,0,0|2,0,0]=4 157 B6R0.9 COC(CBr)OC AC510940 [0,2,0,0,0,0|1,0,0]=3 158 B6R0.7 CC(C)(Br)C(O)=O AC130551 [0,2,0,0,0,0|1,0,1]=4 159 B6R0.7 CC(C)(C)C(O)=O AC190056 [0,2,0,0,0,0|1,0,1]=4 160 B6R0.7 CC(C)(N)C(O)=O AC510892 [0,2,0,0,0,0|1,0,1]=4 161 B6R0.7 CC(Cl)(Cl)C(O)=O AC130054 [0,2,0,0,0,0|1,0,1]=4 162 B6R0.7 CC(F)(F)C(O)=O AC220123 [0,2,0,0,0,0|1,0,1]=4 163 B6R0.7 CC(N)C(F)(F)F AC050970 [0,2,0,0,0,0|2,0,0]=4 164 B4R1.1 C1CNC1 AC510737 [1,0,0,1,0,0|1,0,0]=3 165 B4R1.1 C1CNC1 LN00174679 [1,0,0,1,0,0|1,0,0]=3 166 B4R1.2 NC1CC1 AC130048 [1,0,0,1,0,0|1,0,0]=3 167 B6R1.2 BrC1CCOC1 AC190141 [0,1,0,1,0,0|1,0,0]=3 168 B6R1.2 C1CNCC1F LN00001937 [0,1,0,1,0,0|2,0,0]=4 169 B6R1.2 C1CNC[C@@H]1O LN00165601 [0,1,0,1,0,0|1,0,0]=3 170 B6R1.2 C1COCC1I LN00003379 [0,1,0,1,0,0|1,0,0]=3 171 B6R1.2 C1COC[C@H]1O LN00007278 [0,1,0,1,0,0|0,0,0]=2 172 B6R1.2 CC1CCNC1 LN00002080 [0,1,0,1,0,0|2,0,0]=4 173 B6R1.2 C[C@@H]1CCCN1 AC200009 [0,1,0,1,0,0|2,0,0]=4 174 B6R1.2 ClC1CCOC1 AC220018 [0,1,0,1,0,0|1,0,0]=3 175 B6R1.2 F[C@@H]1CCNC1 AC511015 [0,1,0,1,0,0|2,0,0]=4 176 B6R1.2 F[C@H]1CCNC1 AC511044 [0,1,0,1,0,0|2,0,0]=4 177 B6R1.2 IC1CCOC1 AC220019 [0,1,0,1,0,0|1,0,0]=3 178 B6R1.2 NC1CCNC1 AC220157 [0,1,0,1,0,0|2,0,0]=4 179 B6R1.2 NC1CCOC1 AC220015 [0,1,0,1,0,0|1,0,0]=3 180 B6R1.2 O=C1CCOC1 AC220014 [0,1,0,1,0,0|0,0,2]=4 181 B6R1.2 OC1CC=CC1 AC181108 [0,1,0,1,0,0|1,0,0]=3 182 B6R1.2 OC1CCCC1 AC190215 [0,1,0,1,0,0|1,0,0]=3 183 B6R1.2 OC1CCNC1 AC181524 [0,1,0,1,0,0|1,0,0]=3 184 B6R1.2 OC1CCOC1 AC021063 [0,1,0,1,0,0|0,0,0]=2 185 B6R1.2 O[C@@H]1CCOC1 AC180598 [0,1,0,1,0,0|0,0,0]=2 186 B6R1.2 O[C@H]1CCNC1 AC021101 [0,1,0,1,0,0|1,0,0]=3 187 B6R1.2 O[C@H]1CCNC1 AC510620 [0,1,0,1,0,0|1,0,0]=3 188 B6R1.2 O[C@H]1CCOC1 AC180577 [0,1,0,1,0,0|0,0,0]=2 189 B6R1.5 NC1CC(O)C1 AC182699 [0,1,0,1,0,0|1,0,0]=3 190 B6R1.5 OC1CC(F)C1 AC010459 [0,1,0,1,0,0|1,0,0]=3 191 B6R1.8 C[C@@H]1C[C@H]1CN LN00001858 [0,1,0,1,0,0|2,0,0]=4 192 B6R1.8 C[C@H]1C[C@@H]1CO LN00004886 [0,1,0,1,0,0|1,0,0]=3 193 B6R1.9 NC1CC1(F)F AC040135 [0,1,0,1,0,0|2,0,0]=4 194 B6R1.10 CC1(C)CNC1 AC182563 [0,1,0,1,0,0|2,0,0]=4 195 B6R1.10 CC1(O)COC1 AC511231 [0,1,0,1,0,0|0,0,0]=2 196 B6R1.10 FC1(F)CNC1 AC130280 [0,1,0,1,0,0|2,0,0]=4 197 B6R1.11 OB(O)C1CC1 AC010332 [0,1,0,1,0,0|2,0,0]=4 198 B6R1.11 OC(=O)C1CC1 AC500051 [0,1,0,1,0,0|1,0,1]=4 199 B6R1.6 C1COC1CO LN00172179 [0,1,0,1,0,0|0,0,0]=2 200 B6R1.6 CNC1COC1 AC051112 [0,1,0,1,0,0|1,0,0]=3 201 B6R1.6 COC1CNC1 AC510658 [0,1,0,1,0,0|1,0,0]=3 202 B6R1.6 NNC1CCC1 AC040161 [0,1,0,1,0,0|2,0,0]=4 203 B6R1.6 O=CC1CCC1 AC050499 [0,1,0,1,0,0|1,0,1]=4 204 B6R1.6 OCC1CCC1 AC180017 [0,1,0,1,0,0|1,0,0]=3 205 B6R1.6 OCC1CNC1 AC190004 [0,1,0,1,0,0|1,0,0]=3 206 B6R1.6 OCC1COC1 AC511184 [0,1,0,1,0,0|0,0,0]=2 207 B6R1.7 CC1(CO)CC1 AC010371 [0,1,0,1,0,0|1,0,0]=3 208 B6R1.7 NC1(CO)CC1 AC050247 [0,1,0,1,0,0|1,0,0]=3 209 B6R1.7 NCC1(O)CC1 AC511236 [0,1,0,1,0,0|1,0,0]=3 210 B6R1.7 OCC1(F)CC1 AC010367 [0,1,0,1,0,0|1,0,0]=3