0 B4R0.2 BrCCCBr OR0972 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 C#CCCC OR5512 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.2 C#CCCO OR1952 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.2 C#COCC OR4769 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C=CCCBr OR8033 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.2 C=CCCC OR5326 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.2 C=CCNC OR3619 [0,0,0,0,0,0|3,0,1]=4 7 B4R0.2 CC#CCBr OR5530 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.2 CC#CCO OR14505 [0,0,0,0,0,0|1,1,2]=4 9 B4R0.2 CC=CCCl OR5497 [0,0,0,0,0,0|2,0,2]=4 10 B4R0.2 CC=CCO OR18372 [0,0,0,0,0,0|1,1,2]=4 11 B4R0.2 CCCC#N OR9437 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.2 CCCCBr OR460056 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 CCCCI OR3174 [0,0,0,0,0,0|2,0,1]=3 14 B4R0.2 CCOC=O OR28814 [0,0,0,0,0,0|1,1,1]=3 15 B4R0.2 CNCCN OR6516 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.2 COCC#N OR5269 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.2 COCCBr OR11137 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.2 COCCN OR59868 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.2 CSCCN OR4873 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.2 C\C=C\CCl OR51978 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.2 ClCCCCl OR0973 [0,0,0,0,0,0|3,0,1]=4 22 B4R0.2 ClCCCI OR2939 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.2 ICCCI OR4510 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.2 N#CCCBr OR322150 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.2 N#CCCO OR3049 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.2 NCCCBr OR322151 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.2 NNCCO OR9124 [0,0,0,0,0,0|4,0,0]=4 28 B4R0.2 OCCCBr OR0978 [0,0,0,0,0,0|2,1,1]=4 29 B4R0.2 OCCCCl OR0977 [0,0,0,0,0,0|2,1,1]=4 30 B3R0.1 BrCCI OR460045 [1,0,0,0,0,0|2,0,1]=4 31 B3R0.1 C#CCBr OR01606 [1,0,0,0,0,0|2,0,1]=4 32 B3R0.1 C#CCC OR19587 [1,0,0,0,0,0|1,0,1]=3 33 B3R0.1 C#CCCl OR30795 [1,0,0,0,0,0|2,0,1]=4 34 B3R0.1 C#CCCl OR6425 [1,0,0,0,0,0|2,0,1]=4 35 B3R0.1 C=CCBr OR16937 [1,0,0,0,0,0|2,0,1]=4 36 B3R0.1 C=CCC OR8591 [1,0,0,0,0,0|1,0,1]=3 37 B3R0.1 C=CCCl OR3848 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 C=CCI OR460034 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 CC#CC OR52506 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.1 CC=CC OR61316 [1,0,0,0,0,0|1,0,2]=4 41 B3R0.1 CC=CCl OR40493 [1,0,0,0,0,0|1,0,2]=4 42 B3R0.1 CCC=O OR17251 [1,0,0,0,0,0|0,1,1]=3 43 B3R0.1 CCCC OR8385 [1,0,0,0,0,0|1,0,1]=3 44 B3R0.1 CCCCl OR460042 [1,0,0,0,0,0|1,0,1]=3 45 B3R0.1 CCCI OR4541 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.1 CCCN OR15743 [1,0,0,0,0,0|1,0,1]=3 47 B3R0.1 CCNC OR30626 [1,0,0,0,0,0|0,0,2]=3 48 B3R0.1 CCNN OR939620 [1,0,0,0,0,0|1,0,1]=3 49 B3R0.1 CC[Mg]Br OR320091 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.1 CC[Mg]Br OR320094 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 CNOC OR12778 [1,0,0,0,0,0|1,0,2]=4 52 B3R0.1 COCBr OR11138 [1,0,0,0,0,0|2,0,1]=4 53 B3R0.1 CSCCl OR39998 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 C\C=C/Cl OR4546 [1,0,0,0,0,0|1,0,2]=4 55 B3R0.1 C\C=C\C OR4472 [1,0,0,0,0,0|1,0,2]=4 56 B3R0.1 C\C=C\Cl OR6595 [1,0,0,0,0,0|1,0,2]=4 57 B3R0.1 ClCCI OR51875 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 ICCI OR2622 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 N#CCBr OR52127 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 NCCBr OR1160 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 NCCS OR9920T [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 N\C=N\O OR12756 [1,0,0,0,0,0|1,1,1]=4 63 B3R0.1 OCCBr OR30640 [1,0,0,0,0,0|1,1,1]=4 64 B5R0.1 C=CC[C@H](C)O OR304051 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 CC(C)CC#N OR52674 [0,1,0,0,0,0|2,0,1]=4 66 B5R0.1 CC(C)CCI OR8220 [0,1,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(C)CCN OR12816 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CC(C)CCO OR460021 [0,1,0,0,0,0|1,1,1]=4 69 B5R0.1 CC(C)CNN OR0203 [0,1,0,0,0,0|3,0,0]=4 70 B5R0.1 CC(C)C[Mg]Br OR52618 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 CC(C)N=C=S OR30306 [0,1,0,0,0,0|0,0,0]=1 72 B5R0.1 CC(O)CC#N OR2847 [0,1,0,0,0,0|2,0,1]=4 73 B5R0.1 CCCB(O)O OR8415 [0,1,0,0,0,0|2,1,0]=4 74 B5R0.1 CCCC(=O)O OR6005 [0,1,0,0,0,0|1,1,1]=4 75 B5R0.1 CCCC(=O)[O-] OR8783 [0,1,0,0,0,0|1,1,1]=4 76 B5R0.1 CCCC(C)N OR10075 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 CCNC(N)=O OR42229 [0,1,0,0,0,0|0,1,2]=4 78 B5R0.1 CCOC(=S)[S-] OR59885 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.1 C[C@@H](O)CCO OR2223 [0,1,0,0,0,0|1,1,1]=4 80 B5R0.2 C#CCCCC OR0049 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.2 C#CCCCCl OR14511 [0,1,0,0,0,0|2,0,1]=4 82 B5R0.2 C#CCCCO OR5518 [0,1,0,0,0,0|2,0,1]=4 83 B5R0.2 C=CCCCBr OR30608 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.2 C=COCCO OR904259 [0,1,0,0,0,0|2,0,1]=4 85 B5R0.2 CCC#CCC OR5524 [0,1,0,0,0,0|2,0,1]=4 86 B5R0.2 CCC#CCO OR5519 [0,1,0,0,0,0|1,1,1]=4 87 B5R0.2 CCCCC=O OR5422 [0,1,0,0,0,0|1,1,1]=4 88 B5R0.2 CCCCCBr OR5396 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.2 CCCCCI OR53033 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.2 CCCCCN OR10079 [0,1,0,0,0,0|2,0,1]=4 91 B5R0.2 CCCCCO OR5324 [0,1,0,0,0,0|1,1,1]=4 92 B5R0.2 CCCC[Mg]Br OR320111 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.2 CCCN=C=S OR30307 [0,1,0,0,0,0|0,0,0]=1 94 B5R0.2 CCNCCN OR6517 [0,1,0,0,0,0|1,0,2]=4 95 B5R0.2 CCO\C=C/Br OR10832 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.2 CCSCCCl OR10841 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.2 CCSCCN OR8640 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.2 CNCCCO OR309167 [0,1,0,0,0,0|1,1,1]=4 99 B5R0.2 CNCCNC OR322130 [0,1,0,0,0,0|3,0,0]=4 100 B5R0.2 COCCCBr OR911631 [0,1,0,0,0,0|2,0,1]=4 101 B5R0.2 COCCCN OR54484 [0,1,0,0,0,0|2,0,1]=4 102 B5R0.2 COCCCO OR0976 [0,1,0,0,0,0|1,1,1]=4 103 B5R0.2 CSCCCN OR12831 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.2 ClCCCCBr OR919950 [0,1,0,0,0,0|2,0,1]=4 105 B5R0.2 ClCCCCI OR61420 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.2 ICCCCI OR460062 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.2 N#CCCCBr OR45083 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.2 O=C=NCCCl OR6436 [0,1,0,0,0,0|0,1,0]=2 109 B5R0.2 OCCCCBr OR4233 [0,1,0,0,0,0|1,1,1]=4 110 B5R0.2 OCCCCCl OR13226 [0,1,0,0,0,0|1,1,1]=4 111 B5R0.2 S=C=NCCBr OR4186 [0,1,0,0,0,0|0,0,0]=1 112 B5R0.2 S=C=NCCCl OR322152 [0,1,0,0,0,0|0,0,0]=1 113 B5R0.3 C=CC(=O)CC OR70148 [0,1,0,0,0,0|2,0,1]=4 114 B5R0.3 CCC(=O)CBr OR1465 [0,1,0,0,0,0|2,0,1]=4 115 B5R0.3 CCC(Br)CBr OR70073 [0,1,0,0,0,0|2,0,1]=4 116 B5R0.3 CCC(C)CN OR28802 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.3 CCC(C)NN OR318093 [0,1,0,0,0,0|3,0,0]=4 118 B5R0.3 CCC(C)OC OR14508 [0,1,0,0,0,0|3,0,0]=4 119 B5R0.3 CCC(N)CC OR10080 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 CCC(N)CO OR16670 [0,1,0,0,0,0|1,1,1]=4 121 B5R0.3 CCC(O)CC OR10042 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 CCC(O)CN OR1554 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 CC[C@@H](N)CO OR5871 [0,1,0,0,0,0|1,1,1]=4 124 B5R0.3 CC[C@@H](O)CO OR52088 [0,1,0,0,0,0|1,1,1]=4 125 B5R0.3 CC[C@H](N)CO OR5854 [0,1,0,0,0,0|1,1,1]=4 126 B5R1.1 C1=CCCC1 OR10096 [0,0,0,1,0,0|2,0,1]=4 127 B5R1.1 C1=COCC1 OR2896 [0,0,0,1,0,0|1,1,1]=4 128 B5R1.1 C1=NCCO1 OR305316 [0,0,0,1,0,0|0,1,1]=3 129 B5R1.1 C1CCCC1 OR61603 [0,0,0,1,0,0|2,0,1]=4 130 B5R1.1 C1CCNC1 OR0971 [0,0,0,1,0,0|1,0,2]=4 131 B5R1.1 C1CCOC1 OR30761S [0,0,0,1,0,0|1,1,1]=4 132 B5R1.1 C1CNOC1 OR55263 [0,0,0,1,0,0|2,0,1]=4 133 B5R1.2 BrC1CCC1 OR41168 [0,0,0,1,0,0|2,0,1]=4 134 B5R1.2 NC1CCC1 OR59991 [0,0,0,1,0,0|2,0,1]=4 135 B5R1.2 O=C1CCC1 OR30488 [0,0,0,1,0,0|1,1,1]=4 136 B5R1.2 O=C1CCN1 OR24812 [0,0,0,1,0,0|0,1,2]=4 137 B5R1.3 BrCC1CC1 OR28323 [0,0,0,1,0,0|2,0,1]=4 138 B5R1.3 C#CC1CC1 OR11148 [0,0,0,1,0,0|2,0,1]=4 139 B5R1.3 CCC1CO1 OR40339 [0,0,0,1,0,0|1,1,1]=4 140 B5R1.3 CC[C@@H]1CO1 OR42174 [0,0,0,1,0,0|1,1,1]=4 141 B5R1.3 CC[C@H]1CO1 OR42173 [0,0,0,1,0,0|1,1,1]=4 142 B5R1.3 ClCC1CC1 OR460074 [0,0,0,1,0,0|2,0,1]=4 143 B5R1.3 N#CC1CC1 OR0999 [0,0,0,1,0,0|2,0,1]=4 144 B5R1.3 NCC1CC1 OR17033 [0,0,0,1,0,0|2,0,1]=4 145 B5R1.3 NCC1CC1 OR1937 [0,0,0,1,0,0|2,0,1]=4 146 B5R1.3 O=CC1CC1 OR52083 [0,0,0,1,0,0|1,1,1]=4 147 B5R1.3 OCC1CC1 OR6507 [0,0,0,1,0,0|1,1,1]=4 148 B2R0.1 C#CC OR4851 [2,0,0,0,0,0|0,0,2]=4 149 B2R0.1 C=C=C OR4738 [2,0,0,0,0,0|1,0,1]=4 150 B2R0.1 CC#N OR10008 [2,0,0,0,0,0|0,0,2]=4 151 B2R0.1 CC#N OR46250 [2,0,0,0,0,0|0,0,2]=4 152 B2R0.1 CCBr OR30778 [2,0,0,0,0,0|1,0,0]=3 153 B2R0.1 CCI OR16933 [2,0,0,0,0,0|1,0,0]=3 154 B2R0.1 CCS OR41019 [2,0,0,0,0,0|0,0,1]=3 155 B2R0.1 CC[S-] OR45141 [2,0,0,0,0,0|0,0,1]=3 156 B2R0.1 CNC OR13973 [2,0,0,0,0,0|0,0,2]=4 157 B2R0.1 CNO OR12783 [2,0,0,0,0,0|0,1,1]=4 158 B2R0.1 COC OR51882 [2,0,0,0,0,0|1,0,1]=4 159 B2R0.1 CON OR18305 [2,0,0,0,0,0|1,0,1]=4 160 B2R0.1 C[Mg]Br OR320077 [2,0,0,0,0,0|2,0,0]=4 161 B2R0.1 C[Mg]Br OR320078 [2,0,0,0,0,0|2,0,0]=4 162 B2R0.1 C[Mg]Cl OR320084 [2,0,0,0,0,0|2,0,0]=4 163 B2R0.1 C[Mg]Cl OR320086 [2,0,0,0,0,0|2,0,0]=4 164 B2R0.1 ClCI OR30688 [2,0,0,0,0,0|2,0,0]=4 165 B2R0.1 ICI OR17001 [2,0,0,0,0,0|2,0,0]=4 166 B2R0.1 N=CN OR42146 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.1 C#CC(C)O OR01834 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.1 C#C[C@@H](C)O OR16943 [1,1,0,0,0,0|1,0,1]=4 169 B4R0.1 C#C[C@H](C)O OR40593 [1,1,0,0,0,0|1,0,1]=4 170 B4R0.1 C=C(C)CC OR14507 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.1 C=CC(C)C OR460043 [1,1,0,0,0,0|1,0,1]=4 172 B4R0.1 C=CC(C)Cl OR55516 [1,1,0,0,0,0|1,0,1]=4 173 B4R0.1 CC(C)C=O OR322092 [1,1,0,0,0,0|0,1,1]=4 174 B4R0.1 CC(C)CI OR2195 [1,1,0,0,0,0|1,0,1]=4 175 B4R0.1 CC(C)NN OR7919 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.1 CC(C)NO OR59437 [1,1,0,0,0,0|0,1,1]=4 177 B4R0.1 CC(C)ON OR933332 [1,1,0,0,0,0|2,0,0]=4 178 B4R0.1 CC(C)[Mg]Br OR320105 [1,1,0,0,0,0|2,0,0]=4 179 B4R0.1 CC(C)[Mg]Br OR320106 [1,1,0,0,0,0|2,0,0]=4 180 B4R0.1 CC(C)[Mg]Cl OR320107 [1,1,0,0,0,0|2,0,0]=4 181 B4R0.1 CCB(O)O OR8874 [1,1,0,0,0,0|1,1,0]=4 182 B4R0.1 CCC(=N)N OR200136 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.1 CCC(=O)[O-] OR70110 [1,1,0,0,0,0|0,1,1]=4 184 B4R0.1 CCC(C)Br OR4335 [1,1,0,0,0,0|1,0,1]=4 185 B4R0.1 CCC(C)Cl OR460003 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.1 CCC(C)I OR5340 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.1 CC[C@@H](C)N OR59999 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.1 CC[C@@H](C)O OR304038 [1,1,0,0,0,0|0,1,1]=4 189 B4R0.1 CC[C@H](C)N OR60000 [1,1,0,0,0,0|1,0,1]=4 190 B4R0.1 CC[C@H](C)O OR4619 [1,1,0,0,0,0|0,1,1]=4 191 B4R0.1 C[C@@H](N)CO OR0903 [1,1,0,0,0,0|0,1,1]=4 192 B4R0.1 C[C@@H](O)CN OR304058 [1,1,0,0,0,0|1,0,1]=4 193 B4R0.1 C[C@H](N)CO OR5875 [1,1,0,0,0,0|0,1,1]=4 194 B4R0.1 C[C@H](O)CN OR30797 [1,1,0,0,0,0|1,0,1]=4 195 B4R0.1 C\C(N)=N\O OR30585 [1,1,0,0,0,0|0,1,1]=4 196 B6R0.1 O=C=NC(=O)CCl OR59429 [0,2,0,0,0,0|0,1,1]=4 197 B6R0.4 CC(C)CN=C=S OR28903 [0,2,0,0,0,0|0,0,0]=2 198 B6R0.5 CC(C)(C)N=C=S OR322172 [0,2,0,0,0,0|0,0,0]=2 199 B6R0.6 CCCCN=C=S OR30240 [0,2,0,0,0,0|0,0,0]=2 200 B6R0.6 COCCN=C=S OR2781 [0,2,0,0,0,0|0,0,0]=2 201 B4R1.1 C1CNC1 OR59419 [1,0,0,1,0,0|0,0,2]=4 202 B4R1.1 C1CNC1 OR59858 [1,0,0,1,0,0|0,0,2]=4 203 B4R1.2 BrC1CC1 OR18407 [1,0,0,1,0,0|1,0,1]=4 204 B4R1.2 NC1CC1 OR18344 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.2 CC1=NCCO1 OR52090 [0,1,0,1,0,0|0,1,1]=4 206 B6R1.2 NC1=NCCS1 OR3199 [0,1,0,1,0,0|0,0,2]=4 207 B6R1.2 S=C1CCCN1 OR22113 [0,1,0,1,0,0|0,0,2]=4 208 B6R1.2 S=C1NCCO1 OR28382 [0,1,0,1,0,0|0,0,2]=4 209 B6R1.3 O=C=NC1CC1 OR307001 [0,1,0,1,0,0|0,1,0]=3 210 B6R1.3 S=C=NC1CC1 OR30127 [0,1,0,1,0,0|0,0,0]=2