0 B5R0.3 BrCC(Br)CBr 001242 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C#CC(O)CC 164300 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=CC(=O)OC 520477 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=CC(C)C#N 106335 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 C=CC(O)CC 464567 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 C=CC(O)CO 099464 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CC(CBr)CBr 229847 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC(CCl)CBr 239837 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CC(CO)CO 242900 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.3 CCC(=O)CBr 002514 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 CCC(=O)CC 094591 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CCC(=O)NC 103047 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.3 CCC(=O)NN 026652 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 CCC(Br)CC 358240 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CCC(C)C=O 103622 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.3 CCC(C)CC 098988 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.3 CCC(C)CN 013636 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.3 CCC(C)CO 358145 [0,0,0,0,0,0|0,0,2]=2 18 B5R0.3 CCC(C)NN 046283 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CCC(N)CC 094499 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 CCC(N)CO 091481 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.3 CCC(O)C#N 103338 [0,0,0,0,0,0|2,0,1]=3 22 B5R0.3 CCC(O)CC 358049 [0,0,0,0,0,0|2,0,1]=3 23 B5R0.3 CCC(O)CN 002496 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.3 CCN(C)CC 493739 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.3 CCN(O)CC 105777 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CCN(O)CC 129600 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.3 CCS(=O)CC 094782 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.3 CC[C@@H](N)CO 012703 [0,0,0,0,0,0|1,0,2]=3 29 B5R0.3 CC[C@H](C)CO 473128 [0,0,0,0,0,0|0,0,2]=2 30 B5R0.3 CC[C@H](N)CO 012704 [0,0,0,0,0,0|1,0,2]=3 31 B5R0.3 CC\C(C)=N\O 099127 [0,0,0,0,0,0|1,0,2]=3 32 B5R0.3 COC(C)OC 104486 [0,0,0,0,0,0|3,0,0]=3 33 B5R0.3 C\C=C(/C)C=O 245796 [0,0,0,0,0,0|0,0,2]=2 34 B5R0.3 ClCC(Cl)CCl 099132 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.3 NC(CO)CO 043594 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.3 NCC(O)CN 013503 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.3 NCC(O)CO 093744 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.3 NC[C@@H](O)CO 036807 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.3 NC[C@H](O)CCl 320853 [0,0,0,0,0,0|3,0,1]=4 40 B5R0.3 O=CC(Br)C=O 078260 [0,0,0,0,0,0|2,0,1]=3 41 B5R0.3 OC(CBr)CBr 242654 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.3 OC(CCl)CCl 214775 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.3 OCC(O)CCl 242924 [0,0,0,0,0,0|2,0,2]=4 44 B5R0.3 OCC(O)CO 094580 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.3 OCC(O)CO 102072 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.3 OCC(O)CO 104202 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.3 OCC(O)CS 104512 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.3 OC[C@@H](O)CCl 079187 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.1 C#CC(C)=O 009078 [1,0,0,0,0,0|0,0,3]=4 50 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|0,0,3]=4 52 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|0,0,3]=4 53 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|0,0,3]=4 54 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|1,0,1]=3 60 B4R0.1 C=C(Cl)CCl 003399 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|0,0,3]=4 62 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 CC(=O)NN 049751 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|0,0,0]=1 76 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|0,0,0]=1 77 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|1,0,1]=3 79 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|1,0,1]=3 80 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|0,0,2]=3 81 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|0,1,1]=3 82 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|1,0,1]=3 84 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,0]=3 91 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|2,0,0]=3 92 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 96 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|2,0,1]=4 97 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|1,0,1]=3 103 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|0,0,1]=2 104 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|0,0,1]=2 105 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|0,0,1]=2 106 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|0,0,1]=2 107 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|0,0,1]=2 109 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,0]=2 110 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|0,0,1]=2 112 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|0,1,0]=2 113 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|1,0,1]=3 114 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|0,0,1]=2 117 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|1,0,0]=2 119 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|1,0,0]=2 120 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|1,0,0]=2 121 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|1,0,0]=2 122 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|1,1,0]=3 124 B4R0.1 CNC(=O)Cl 358405 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|1,0,1]=3 126 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CNC(N)=O 227727 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.1 COC(=O)Cl 099160 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 COC(N)=O 080112 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|1,1,1]=4 134 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,0,1]=3 136 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,1]=3 137 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,0,1]=3 139 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,1]=3 140 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 144 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 146 B4R0.1 NC(=O)CBr 091505 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.1 NC(=O)CCl 079297 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.1 NC(=O)CI 001085 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.1 NC(=O)CS 069297 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.1 NCC(=O)O 105741 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.1 NCC(=O)O 229198 [1,0,0,0,0,0|2,0,1]=4 152 B4R0.1 NCC(=O)O M03001 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 NCC(=O)[O-] 240909 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 NCC(N)=O 078516 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.1 O=C(Br)CBr 004136 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 O=C(Cl)CBr 109400 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.1 O=C(Cl)CCl 098899 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.1 O=C(Cl)CCl 099381 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.1 O=C(O)CBr 004135 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 O=C(O)CCl 095375 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 O=C(O)CI 520348 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.1 O=C(O)CS 097732 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.1 O=C([O-])CCl 099322 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|2,0,1]=4 168 B4R0.1 O=C([O-])CS 106508 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|3,0,0]=4 171 B4R0.1 O=[N+]([O-])CBr 002518 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|3,0,0]=4 173 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,0,0,0,0,0|2,0,1]=4 174 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|1,0,1]=3 177 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|2,0,1]=4 179 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 C=CCC#N 355220 [1,0,0,0,0,0|2,0,1]=4 182 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|2,0,0]=3 183 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|2,0,0]=3 185 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|2,0,0]=3 186 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|2,0,0]=3 187 B4R0.2 C=CCON 471484 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|2,0,0]=3 189 B4R0.2 C=CC[Pd]Cl 046130 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|1,0,1]=3 191 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|0,0,0]=1 192 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|1,0,1]=3 193 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|1,0,1]=3 195 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|1,0,1]=3 196 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|0,0,2]=3 197 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|0,0,2]=3 198 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|0,0,2]=3 199 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|0,1,1]=3 200 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|1,0,1]=3 201 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|0,1,1]=3 202 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,1,1]=4 204 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,0,0]=2 205 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|2,0,1]=4 206 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|2,0,1]=4 207 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|2,0,0]=3 208 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|1,0,0]=2 209 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|2,0,1]=4 210 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|2,0,1]=4 211 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|2,0,1]=4 213 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|2,0,1]=4 214 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|1,1,1]=4 215 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|2,0,1]=4 216 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|2,0,1]=4 217 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|2,0,1]=4 218 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|2,0,1]=4 219 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|2,0,1]=4 220 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|1,0,2]=4 221 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 222 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,1]=4 223 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,1]=4 224 B4R0.2 COCCO 043320 [1,0,0,0,0,0|1,0,2]=4 225 B4R0.2 COCCO 102150 [1,0,0,0,0,0|1,0,2]=4 226 B4R0.2 COCOC 094560 [1,0,0,0,0,0|3,0,0]=4 227 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,1]=4 228 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|1,0,2]=4 229 B4R0.2 C\C=C\C=O 245633 [1,0,0,0,0,0|0,0,2]=3 230 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,1]=4 233 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.2 Cl\C=C\CCl 358262 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|1,0,2]=4 247 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|3,0,0]=4 248 B4R0.2 O=C[N-]C=O 019259 [1,0,0,0,0,0|2,0,1]=4 249 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|1,0,2]=4 250 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|1,0,2]=4 251 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|1,0,2]=4 252 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|1,0,2]=4 253 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|1,0,2]=4 254 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|1,1,1]=4 255 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|1,1,1]=4 256 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|1,0,1]=3 257 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.1 C=CC(=O)OCC 094594 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.1 C=CC(O)CCC 241561 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.1 C=COC(=O)CC 005111 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|0,0,1]=2 262 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|0,1,1]=3 263 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|1,0,2]=4 266 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|0,0,0]=1 268 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|1,0,2]=4 269 B6R0.1 CCOC(=O)C=O 079534 [0,1,0,0,0,0|1,0,1]=3 270 B6R0.1 CCO\C(C)=N/O 036372 [0,1,0,0,0,0|1,0,2]=4 271 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.1 CC\C=C(/C)C=O 103302 [0,1,0,0,0,0|0,0,1]=2 274 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|0,0,2]=3 276 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|2,0,1]=4 277 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.3 C=CN(C)C(C)=O 235676 [0,1,0,0,0,0|1,0,2]=4 279 B6R0.3 CC(=O)\C(C)=N\O 099089 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|1,0,2]=4 282 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|1,0,2]=4 283 B6R0.3 CC(CN)C(=O)O 226386 [0,1,0,0,0,0|1,0,0]=2 284 B6R0.3 CCC(=O)C(C)=O 464570 [0,1,0,0,0,0|1,0,1]=3 285 B6R0.3 CCC(Br)C(=O)Br 241269 [0,1,0,0,0,0|1,0,0]=2 286 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|1,0,1]=3 288 B6R0.3 CCC(C)C(=O)Cl 102938 [0,1,0,0,0,0|0,0,0]=1 289 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|0,0,0]=1 290 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|0,0,2]=3 291 B6R0.3 CCC(C)C(N)=O 102996 [0,1,0,0,0,0|0,0,0]=1 292 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,1]=4 294 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|1,0,0]=2 295 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|1,0,0]=2 296 B6R0.3 CN(N=O)C(N)=O 098373 [0,1,0,0,0,0|3,0,0]=4 297 B6R0.3 CNC(=O)C(=O)O 023479 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.3 CNC(C)C(=O)O 075290 [0,1,0,0,0,0|1,0,0]=2 299 B6R0.3 CN[C@@H](C)C(=O)O 075289 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.3 CN[C@H](C)C(=O)O 075291 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.3 COC(=O)C(=O)Cl 386747 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.3 COC(=O)C(C)=O 094169 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.3 CON(C)C(C)=O 153700 [0,1,0,0,0,0|2,0,0]=3 304 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.3 C\C=C(/C)C(=O)O 099810 [0,1,0,0,0,0|0,0,2]=3 306 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|2,0,0]=3 307 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|2,0,0]=3 308 B6R0.3 NC(CS)C(=O)O 241173 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,1,0,0,0,0|2,0,0]=3 310 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|2,0,0]=3 311 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,1,0,0,0,0|2,0,0]=3 312 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,1,0,0,0,0|2,0,0]=3 313 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,1,0,0,0,0|2,0,0]=3 314 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,1,0,0,0,0|2,0,0]=3 317 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,1,0,0,0,0|2,0,0]=3 318 B6R0.3 O=C(O)C(Br)CBr 077984 [0,1,0,0,0,0|2,0,0]=3 319 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|2,0,0]=3 320 B6R0.8 C#CC(C)(O)C=C 013659 [0,1,0,0,0,0|1,0,2]=4 321 B6R0.8 C#CC(C)(O)CC 506763 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.8 C=CS(=O)(=O)CC 002475 [0,1,0,0,0,0|3,0,0]=4 323 B6R0.8 CC(C)(CCl)CCl 134320 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.8 CC(C)(CN)CN 240612 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.8 CC(C)(CN)CO 033048 [0,1,0,0,0,0|1,0,2]=4 326 B6R0.8 CC(C)(CO)CBr 403120 [0,1,0,0,0,0|1,0,2]=4 327 B6R0.8 CC(C)(CO)CO 235831 [0,1,0,0,0,0|1,0,2]=4 328 B6R0.8 CC(N)(CO)CO 098943 [0,1,0,0,0,0|1,0,2]=4 329 B6R0.8 CNC(C)(C)CO 340517 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.8 COC(C)(C)CN 043506 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.8 COC(C)(C)OC 032480 [0,1,0,0,0,0|3,0,0]=4 332 B6R0.8 O=CC(Br)(Br)CBr 239010 [0,1,0,0,0,0|2,0,0]=3 333 B6R0.9 CCC(C=O)CC 245909 [0,1,0,0,0,0|0,0,0]=1 334 B6R0.9 CCC(CC)CO 093975 [0,1,0,0,0,0|0,0,2]=3 335 B6R0.9 CCC(CC)NN 047022 [0,1,0,0,0,0|2,0,0]=3 336 B6R0.9 CCC(CN)OC 041816 [0,1,0,0,0,0|1,0,1]=3 337 B6R0.9 CCN(C#N)CC 375201 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.9 CCN(C=O)CC 049814 [0,1,0,0,0,0|1,0,0]=2 339 B6R0.9 CCN(CC)CC 003029 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.9 CCN(CC)CC 005055 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.9 CCN(CC)CC 102572 [0,1,0,0,0,0|2,0,1]=4 344 B6R0.9 CCN(CC)CC 104858 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.9 CCN(CC)CC 105729 [0,1,0,0,0,0|2,0,1]=4 346 B6R0.9 CCN(CC)CC 173850 [0,1,0,0,0,0|2,0,1]=4 347 B6R0.9 CCP(CC)CC 101862 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.9 CC[SiH](CC)CC 005243 [0,1,0,0,0,0|1,1,1]=4 349 B6R0.9 COC(C=O)OC 105790 [0,1,0,0,0,0|1,0,0]=2 350 B6R0.9 COC(CBr)OC 003454 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.9 COC(CCl)OC 099309 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.9 COC(CN)OC 094452 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.9 COC(OC)OC 095019 [0,1,0,0,0,0|3,0,0]=4 354 B6R0.9 OCC(CO)CO 222829 [0,1,0,0,0,0|1,0,2]=4 355 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|2,0,1]=4 357 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|1,0,1]=3 358 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|1,0,1]=3 359 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|2,0,0]=3 360 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|2,0,1]=4 361 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|2,0,1]=4 362 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|2,0,1]=4 364 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|2,0,1]=4 365 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|2,0,1]=4 366 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|2,0,1]=4 367 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|1,0,2]=4 368 B6R1.2 O=C1C=CCC1 049816 [0,0,0,1,0,0|2,0,1]=4 369 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|2,0,1]=4 370 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|2,0,1]=4 371 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,0,2]=4 372 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|2,0,1]=4 373 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,0,2]=4 374 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|2,0,1]=4 375 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|2,0,1]=4 376 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,0,2]=4 377 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|2,0,1]=4 378 B6R1.6 BrCC1CCC1 067868 [0,0,0,1,0,0|1,0,1]=3 379 B6R1.6 COC1CNC1 077415 [0,0,0,1,0,0|2,0,1]=4 380 B6R1.6 ICC1CCC1 099276 [0,0,0,1,0,0|1,0,1]=3 381 B6R1.6 N#CC1CCC1 003364 [0,0,0,1,0,0|1,0,1]=3 382 B6R1.6 OCC1CCC1 009111 [0,0,0,1,0,0|0,0,2]=3 383 B6R1.6 OCC1CNC1 078174 [0,0,0,1,0,0|1,0,2]=4 384 B6R1.7 CC1(CCl)CO1 067862 [0,0,0,1,0,0|1,0,2]=4 385 B6R1.7 N#CC1(N)CC1 050232 [0,0,0,1,0,0|2,0,1]=4 386 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|1,0,1]=4 388 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,1]=3 389 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|1,0,1]=4 390 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|1,0,1]=4 391 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|1,0,1]=4 392 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|1,0,1]=4 393 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|1,0,1]=4 394 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|0,0,2]=4 395 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 396 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,0]=2 397 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 398 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 399 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,1]=3 401 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,1]=3 402 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 403 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 404 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,0]=3 405 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 406 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|1,0,0]=3 407 B3R0.1 CNNC 446438 [2,0,0,0,0,0|2,0,0]=4 408 B3R0.1 CNOC 023913 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 COC=O 101914 [2,0,0,0,0,0|1,0,0]=3 410 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 CSSC 094878 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|0,0,2]=4 414 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|0,0,2]=4 415 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 416 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 417 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 418 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 419 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 420 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 421 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 422 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 423 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 424 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 425 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 426 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 427 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 428 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 429 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,1,0]=4 433 B3R0.1 NNC=O 099623 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.1 O=CC=O 094007 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|1,0,0]=3 436 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,1]=4 438 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,1]=4 439 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,1]=4 440 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,1,0]=4 443 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 444 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 445 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|0,0,1]=3 447 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|1,0,0]=3 448 B3R0.2 CC(=O)Br 003920 [2,0,0,0,0,0|1,0,1]=4 449 B3R0.2 CC(=O)Cl 094104 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|1,0,1]=4 453 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|1,0,1]=4 454 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|1,0,1]=4 456 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|1,0,1]=4 457 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|1,0,1]=4 458 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|1,0,1]=4 459 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|1,0,1]=4 460 B3R0.2 CC(=O)[O-] 044838 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.2 CC(=O)[O-] 050331 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.2 CC(=O)[O-] 095373 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.2 CC(=O)[O-] 095810 [2,0,0,0,0,0|1,0,1]=4 464 B3R0.2 CC(=O)[O-] 095811 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.2 CC(=O)[O-] 095813 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.2 CC(=O)[O-] 098592 [2,0,0,0,0,0|1,0,1]=4 467 B3R0.2 CC(=O)[O-] 098906 [2,0,0,0,0,0|1,0,1]=4 468 B3R0.2 CC(=O)[O-] 098951 [2,0,0,0,0,0|1,0,1]=4 469 B3R0.2 CC(=O)[O-] 099265 [2,0,0,0,0,0|1,0,1]=4 470 B3R0.2 CC(=O)[O-] 099279 [2,0,0,0,0,0|1,0,1]=4 471 B3R0.2 CC(=O)[O-] 099299 [2,0,0,0,0,0|1,0,1]=4 472 B3R0.2 CC(=O)[O-] 099359 [2,0,0,0,0,0|1,0,1]=4 473 B3R0.2 CC(=O)[O-] 099374 [2,0,0,0,0,0|1,0,1]=4 474 B3R0.2 CC(=O)[O-] 099561 [2,0,0,0,0,0|1,0,1]=4 475 B3R0.2 CC(=O)[O-] 099735 [2,0,0,0,0,0|1,0,1]=4 476 B3R0.2 CC(=O)[O-] 101990 [2,0,0,0,0,0|1,0,1]=4 477 B3R0.2 CC(=O)[O-] 102370 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.2 CC(=O)[O-] 102576 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.2 CC(=O)[O-] 102577 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.2 CC(=O)[O-] 102751 [2,0,0,0,0,0|1,0,1]=4 481 B3R0.2 CC(=O)[O-] 102954 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.2 CC(=O)[O-] 103004 [2,0,0,0,0,0|1,0,1]=4 483 B3R0.2 CC(=O)[O-] 103454 [2,0,0,0,0,0|1,0,1]=4 484 B3R0.2 CC(=O)[O-] 103547 [2,0,0,0,0,0|1,0,1]=4 485 B3R0.2 CC(=O)[O-] 103666 [2,0,0,0,0,0|1,0,1]=4 486 B3R0.2 CC(=O)[O-] 104120 [2,0,0,0,0,0|1,0,1]=4 487 B3R0.2 CC(=O)[O-] 104124 [2,0,0,0,0,0|1,0,1]=4 488 B3R0.2 CC(=O)[O-] 104255 [2,0,0,0,0,0|1,0,1]=4 489 B3R0.2 CC(=O)[O-] 104267 [2,0,0,0,0,0|1,0,1]=4 490 B3R0.2 CC(=O)[O-] 104268 [2,0,0,0,0,0|1,0,1]=4 491 B3R0.2 CC(=O)[O-] 104731 [2,0,0,0,0,0|1,0,1]=4 492 B3R0.2 CC(=O)[O-] 104732 [2,0,0,0,0,0|1,0,1]=4 493 B3R0.2 CC(=O)[O-] 104830 [2,0,0,0,0,0|1,0,1]=4 494 B3R0.2 CC(=O)[O-] 104834 [2,0,0,0,0,0|1,0,1]=4 495 B3R0.2 CC(=O)[O-] 106015 [2,0,0,0,0,0|1,0,1]=4 496 B3R0.2 CC(=O)[O-] 106936 [2,0,0,0,0,0|1,0,1]=4 497 B3R0.2 CC(=O)[O-] 449646 [2,0,0,0,0,0|1,0,1]=4 498 B3R0.2 CC(=O)[O-] 492414 [2,0,0,0,0,0|1,0,1]=4 499 B3R0.2 CC(=O)[O-] 492458 [2,0,0,0,0,0|1,0,1]=4 500 B3R0.2 CC(=O)[O-] 492460 [2,0,0,0,0,0|1,0,1]=4 501 B3R0.2 CC(=O)[O-] 493837 [2,0,0,0,0,0|1,0,1]=4 502 B3R0.2 CC(=O)[O-] 493847 [2,0,0,0,0,0|1,0,1]=4 503 B3R0.2 CC(=O)[O-] 494093 [2,0,0,0,0,0|1,0,1]=4 504 B3R0.2 CC(=O)[O-] 494137 [2,0,0,0,0,0|1,0,1]=4 505 B3R0.2 CC(=O)[O-] 494138 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 CC(=O)[O-] 494390 [2,0,0,0,0,0|1,0,1]=4 507 B3R0.2 CC(=O)[S-] 050515 [2,0,0,0,0,0|1,0,1]=4 508 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,1]=3 509 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,1]=3 510 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,1]=3 511 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,1]=3 512 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,1]=3 513 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,1]=3 514 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 518 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 520 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,1]=3 521 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,1]=3 522 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,1]=3 523 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,1]=3 524 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,1]=3 525 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 526 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 527 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 528 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 529 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 530 B3R0.2 CC(N)=O 044859 [2,0,0,0,0,0|1,0,1]=4 531 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|1,0,1]=4 532 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|1,0,1]=4 533 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|1,0,1]=4 534 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|1,0,1]=4 535 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|1,0,1]=4 536 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|1,0,1]=4 537 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|1,0,1]=4 538 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 539 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,1]=4 540 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|1,0,1]=4 541 B3R0.2 CS(=O)[O-] 001284 [2,0,0,0,0,0|2,0,0]=4 542 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,0]=3 543 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,0]=3 544 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,0]=3 545 B3R0.2 C[N+](=O)[O-] 099354 [2,0,0,0,0,0|2,0,0]=4 546 B3R0.2 C[N+](=O)[O-] 104857 [2,0,0,0,0,0|2,0,0]=4 547 B3R0.2 C[N+](=O)[O-] BR1297 [2,0,0,0,0,0|2,0,0]=4 548 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,1]=4 549 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 550 B5R0.1 C#CCC(C)C 104535 [1,1,0,0,0,0|0,0,2]=4 551 B5R0.1 C#CCC(C)O 532537 [1,1,0,0,0,0|0,0,2]=4 552 B5R0.1 C=C(C)CCBr 223736 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.1 C=C(C)CCO 358461 [1,1,0,0,0,0|0,0,1]=3 554 B5R0.1 C=C(C)OCC 471668 [1,1,0,0,0,0|0,0,1]=3 555 B5R0.1 C=CCC(C)C 106337 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.1 CC(=O)CCCl 069833 [1,1,0,0,0,0|0,0,1]=3 557 B5R0.1 CC(=O)CCO 358442 [1,1,0,0,0,0|0,0,1]=3 558 B5R0.1 CC(=O)NCO 430081 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.1 CC(Br)CCBr BR1240 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.1 CC(C)=CC=O 386384 [1,1,0,0,0,0|0,0,1]=3 561 B5R0.1 CC(C)=CCBr 053316 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.1 CC(C)=CCCl 349314 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.1 CC(C)=CCO 358414 [1,1,0,0,0,0|0,0,2]=4 564 B5R0.1 CC(C)CC#N 386919 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.1 CC(C)CC=O 094970 [1,1,0,0,0,0|0,0,0]=2 566 B5R0.1 CC(C)CCBr BR1353 [1,1,0,0,0,0|0,0,1]=3 567 B5R0.1 CC(C)CCI 046949 [1,1,0,0,0,0|0,0,1]=3 568 B5R0.1 CC(C)CCN 097749 [1,1,0,0,0,0|0,0,1]=3 569 B5R0.1 CC(C)CCO 097704 [1,1,0,0,0,0|0,0,1]=3 570 B5R0.1 CC(C)CCO 103352 [1,1,0,0,0,0|0,0,1]=3 571 B5R0.1 CC(C)CCS 358459 [1,1,0,0,0,0|0,0,1]=3 572 B5R0.1 CC(C)CNN 023508 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.1 CC(C)N=C=S 008986 [1,1,0,0,0,0|0,1,1]=4 574 B5R0.1 CC(C)NC=O 103706 [1,1,0,0,0,0|0,0,0]=2 575 B5R0.1 CC(C)SC#N 005915 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.1 CC(O)CCO 099380 [1,1,0,0,0,0|0,0,1]=3 577 B5R0.1 CCCC(=O)Cl 098879 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.1 CCCC(=O)O 102473 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.1 CCCC(C)Br 024476 [1,1,0,0,0,0|1,0,0]=3 580 B5R0.1 CCCC(C)Br BR1101 [1,1,0,0,0,0|1,0,0]=3 581 B5R0.1 CCCC(C)C 098758 [1,1,0,0,0,0|0,0,1]=3 582 B5R0.1 CCCC(C)N 097754 [1,1,0,0,0,0|1,0,0]=3 583 B5R0.1 CCCC(C)O 099024 [1,1,0,0,0,0|0,0,1]=3 584 B5R0.1 CCCC(C)S 070734 [1,1,0,0,0,0|0,1,0]=3 585 B5R0.1 CCCC(N)=O 356018 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.1 CCC[C@H](C)O 036089 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.1 CCC[N+](=O)[O-] 520877 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.1 CCNC(C)C 057128 [1,1,0,0,0,0|0,0,1]=3 589 B5R0.1 CCOC(=O)Cl 099901 [1,1,0,0,0,0|1,0,1]=4 590 B5R0.1 CCOC(C)=N 239394 [1,1,0,0,0,0|1,0,1]=4 591 B5R0.1 CCOC(C)=O 035909 [1,1,0,0,0,0|0,0,1]=3 592 B5R0.1 CCOC(C)=O 099553 [1,1,0,0,0,0|0,0,1]=3 593 B5R0.1 CCOC(C)=O 099895 [1,1,0,0,0,0|0,0,1]=3 594 B5R0.1 CCOC(N)=O 099367 [1,1,0,0,0,0|1,0,1]=4 595 B5R0.1 CN(C)CCBr 077959 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.1 CN(C)CCCl 077638 [1,1,0,0,0,0|1,0,1]=4 597 B5R0.1 CN(C)CCN 043851 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.1 CN(C)CCO 044665 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.1 CN(C)CCS 450419 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.1 CNCC(=O)O 095119 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.1 CNCC(C)C 047078 [1,1,0,0,0,0|0,0,1]=3 602 B5R0.1 COCC(=O)Cl 053542 [1,1,0,0,0,0|1,0,1]=4 603 B5R0.1 COCC(=O)O 237785 [1,1,0,0,0,0|1,0,1]=4 604 B5R0.1 COCC(C)=O 002450 [1,1,0,0,0,0|0,0,1]=3 605 B5R0.1 COCC(C)N 402335 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.1 COCC(C)O 093985 [1,1,0,0,0,0|0,0,1]=3 607 B5R0.1 COC[C@@H](C)N 079780 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.1 COC[C@@H](C)O 036090 [1,1,0,0,0,0|0,0,1]=3 609 B5R0.1 CSCC(=O)O 010416 [1,1,0,0,0,0|1,0,1]=4 610 B5R0.1 CSCC(N)=O 092321 [1,1,0,0,0,0|1,0,1]=4 611 B5R0.1 CSCS(C)=O 303199 [1,1,0,0,0,0|1,0,0]=3 612 B5R0.1 C[C@@H](N)CCO 092790 [1,1,0,0,0,0|1,0,0]=3 613 B5R0.1 C[C@@H](O)CCO 041923 [1,1,0,0,0,0|0,0,1]=3 614 B5R0.1 C[C@H](N)CCO 092789 [1,1,0,0,0,0|1,0,0]=3 615 B5R0.1 C[C@H](O)CCO 041922 [1,1,0,0,0,0|0,0,1]=3 616 B5R0.1 NC(=O)CCBr 456436 [1,1,0,0,0,0|1,0,1]=4 617 B5R0.1 NC(=O)CCCl 180018 [1,1,0,0,0,0|1,0,1]=4 618 B5R0.1 NCCC(=O)O 044720 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.1 NCCC(N)=O 221578 [1,1,0,0,0,0|1,0,1]=4 620 B5R0.1 O=C(Cl)CCBr 104627 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.1 O=C(Cl)CCCl 095162 [1,1,0,0,0,0|1,0,1]=4 622 B5R0.1 O=C(O)CCBr 003025 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.1 O=C(O)CCCl 242740 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.1 O=C(O)CCI 003069 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.1 O=C(O)CCO 147100 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.1 O=C(O)CCS 094485 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.1 O=[N+]([O-])CCO 358303 [1,1,0,0,0,0|2,0,0]=4 628 B5R0.4 BNC(C)(C)C 101999 [1,1,0,0,0,0|2,0,0]=4 629 B5R0.4 C#CC(C)(C)C 134000 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.4 C#CC(C)(C)Cl 009094 [1,1,0,0,0,0|1,0,1]=4 631 B5R0.4 C#CC(C)(C)N 030955 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|1,0,1]=4 633 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|1,0,0]=3 634 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|1,0,0]=3 635 B5R0.4 C=C[Si](C)(C)C S22050 [1,1,0,0,0,0|1,1,0]=4 636 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|1,0,1]=4 637 B5R0.4 CC(C)(C)C#N 350843 [1,1,0,0,0,0|1,0,1]=4 638 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|0,0,0]=2 639 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|1,0,1]=4 640 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|0,0,2]=4 642 B5R0.4 CC(C)(C)NN 042252 [1,1,0,0,0,0|2,0,0]=4 643 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.4 CC(C)(C)[Mg]Cl 102582 [1,1,0,0,0,0|2,0,0]=4 645 B5R0.4 CC(C)(C)[Mg]Cl 104904 [1,1,0,0,0,0|2,0,0]=4 646 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|1,0,1]=4 647 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|0,0,2]=4 648 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,1]=4 650 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,1]=4 651 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,2]=4 652 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|2,0,0]=4 653 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|0,0,1]=3 654 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|0,0,1]=3 655 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,0,1]=3 656 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,0,1]=3 657 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,0,1]=3 658 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,0,1]=3 659 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,0,1]=3 660 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,0,1]=3 661 B5R0.4 CCS(=O)(=O)Cl 044992 [1,1,0,0,0,0|2,0,0]=4 662 B5R0.4 CCS(N)(=O)=O 022080 [1,1,0,0,0,0|2,0,0]=4 663 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|0,1,1]=4 664 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|1,0,1]=4 665 B5R0.4 CNS(C)(=O)=O 078577 [1,1,0,0,0,0|2,0,0]=4 666 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,1]=4 667 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,1]=4 668 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|1,0,1]=4 669 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.5 C=C(C)C(=C)C 104405 [1,1,0,0,0,0|0,0,2]=4 671 B5R0.5 C=C(C)C(=O)Cl 152770 [1,1,0,0,0,0|0,0,2]=4 672 B5R0.5 C=C(C)C(=O)O 098014 [1,1,0,0,0,0|0,0,2]=4 673 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,1,0,0,0,0|0,0,2]=4 674 B5R0.5 C=C(C)C(C)=O 155400 [1,1,0,0,0,0|0,0,2]=4 675 B5R0.5 C=C(C)C(N)=O 098987 [1,1,0,0,0,0|0,0,2]=4 676 B5R0.5 CC(=O)C(=O)O 168700 [1,1,0,0,0,0|1,0,1]=4 677 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,1,0,0,0,0|1,0,1]=4 678 B5R0.5 CC(=O)C(C)=O 099488 [1,1,0,0,0,0|0,0,2]=4 679 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,0,0]=2 680 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|0,0,1]=3 681 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|0,0,1]=3 682 B5R0.5 CC(=O)C(F)F 025165 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|1,0,0]=3 686 B5R0.5 CC(Br)C(=O)Br BR1124 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,0]=3 689 B5R0.5 CC(Br)C(N)=O 222852 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|1,0,1]=4 692 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|0,0,0]=2 694 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|0,0,0]=2 695 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|0,0,1]=3 696 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|0,0,0]=2 697 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|1,0,0]=3 699 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|1,0,0]=3 700 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,1,0,0,0,0|1,0,0]=3 701 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,0]=3 702 B5R0.5 CC(Cl)C(N)=O 369655 [1,1,0,0,0,0|1,0,0]=3 703 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,0]=3 704 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,0]=3 705 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,0]=3 706 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|1,0,0]=3 707 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|1,0,0]=3 708 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,0]=3 709 B5R0.5 CN(C)C(=N)N 094628 [1,1,0,0,0,0|2,0,0]=4 710 B5R0.5 CN(C)C(=O)Cl 051099 [1,1,0,0,0,0|1,0,0]=3 711 B5R0.5 CN(C)C(=S)Cl 101947 [1,1,0,0,0,0|1,1,0]=4 712 B5R0.5 CN(C)C(=S)[S-] 180453 [1,1,0,0,0,0|1,1,0]=4 713 B5R0.5 CN(C)C(N)=O 342088 [1,1,0,0,0,0|1,0,0]=3 714 B5R0.5 CN(C)C(N)=S 369470 [1,1,0,0,0,0|1,1,0]=4 715 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,0]=3 716 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,0]=3 717 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,1,0,0,0,0|1,0,0]=3 718 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,0]=3 719 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|1,0,0]=3 720 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|1,0,0]=3 721 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|0,0,1]=3 722 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,0]=3 723 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,0]=3 724 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,0]=3 725 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,0]=3 726 B5R0.5 C[C@H](N)C(N)=O 092189 [1,1,0,0,0,0|1,0,0]=3 727 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,0]=3 728 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|1,0,0]=3 729 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|0,0,1]=3 730 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|0,0,1]=3 731 B5R0.5 NC(=O)C(F)Cl 038384 [1,1,0,0,0,0|2,0,0]=4 732 B5R0.5 NC(=O)C(F)F 033531 [1,1,0,0,0,0|2,0,0]=4 733 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [1,1,0,0,0,0|2,0,0]=4 734 B5R0.5 O=C(O)C(Br)Br 103029 [1,1,0,0,0,0|2,0,0]=4 735 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,1,0,0,0,0|2,0,0]=4 736 B5R0.5 O=C(O)C(F)F 001231 [1,1,0,0,0,0|2,0,0]=4 737 B5R0.5 O=C(O)C(F)F 019092 [1,1,0,0,0,0|2,0,0]=4 738 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|2,0,0]=4 739 B5R0.5 O=C([O-])C(Cl)Cl 462644 [1,1,0,0,0,0|2,0,0]=4 740 B5R0.5 O=C([O-])C(F)F 010327 [1,1,0,0,0,0|2,0,0]=4 741 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|1,0,1]=4 742 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|1,0,1]=4 743 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|1,0,1]=4 744 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.2 C=CCCC#N 013686 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.2 C=CCCC=C 106336 [1,1,0,0,0,0|1,0,1]=4 747 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|1,0,0]=3 748 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|1,0,0]=3 749 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|1,0,0]=3 750 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|1,0,0]=3 751 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|1,0,0]=3 752 B5R0.2 C=CCNC=O 065354 [1,1,0,0,0,0|0,0,2]=4 753 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|2,0,0]=4 754 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|1,0,1]=4 755 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|1,0,1]=4 756 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|0,0,0]=2 757 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|0,0,0]=2 758 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|1,0,1]=4 759 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|1,0,1]=4 760 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|1,0,1]=4 761 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|1,0,1]=4 762 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|1,0,1]=4 763 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|1,0,1]=4 764 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|1,0,1]=4 765 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|0,0,2]=4 766 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|1,0,1]=4 767 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|1,0,1]=4 768 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|1,0,1]=4 769 B5R0.2 CCCN=C=S 009571 [1,1,0,0,0,0|0,1,1]=4 770 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|1,0,1]=4 771 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|0,0,1]=3 772 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|0,0,2]=4 773 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,1]=4 774 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,1]=4 775 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,0,2]=4 776 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|1,0,1]=4 777 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|1,0,1]=4 778 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|0,0,2]=4 779 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|0,0,2]=4 780 B5R0.2 CC\C=C\C=O 466581 [1,1,0,0,0,0|0,0,1]=3 781 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|1,0,1]=4 782 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,1]=4 783 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,1]=4 784 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|0,0,2]=4 785 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|2,0,0]=4 786 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|2,0,0]=4 787 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 788 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,1]=4 789 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,1]=4 790 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|0,0,2]=4 791 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|2,0,0]=4 792 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|2,0,0]=4 793 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|0,0,0]=2 794 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,0,1]=4 795 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|0,0,2]=4 796 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|1,0,1]=4 797 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|1,0,1]=4 798 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|1,0,1]=4 799 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|1,0,1]=4 800 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|1,0,1]=4 801 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|1,0,1]=4 802 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|1,0,1]=4 803 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|1,0,1]=4 804 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|1,0,1]=4 805 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|1,0,1]=4 806 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|1,0,1]=4 807 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|0,0,2]=4 808 B5R0.2 O=C=NCCBr 098505 [1,1,0,0,0,0|1,0,1]=4 809 B5R0.2 O=C=NCCCl 067807 [1,1,0,0,0,0|1,0,1]=4 810 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|0,0,2]=4 811 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|0,0,2]=4 812 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|0,1,1]=4 813 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|0,0,0]=2 815 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|0,0,0]=2 816 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.3 CC(CN)CCCN 098814 [0,2,0,0,0,0|1,0,1]=4 818 B7R0.5 C=CCC(C)C(=O)O 239804 [0,2,0,0,0,0|0,0,1]=3 819 B7R0.5 C=CC[C@@H](N)C(=O)O 218874 [0,2,0,0,0,0|1,0,1]=4 820 B7R0.5 C=CC[C@H](N)C(=O)O 062238 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.5 CC(NC=O)C(=O)O 329655 [0,2,0,0,0,0|1,0,1]=4 822 B7R0.5 CCCC(=O)C(C)=O 099591 [0,2,0,0,0,0|1,0,1]=4 823 B7R0.5 CCCC(Br)C(=O)O 114500 [0,2,0,0,0,0|1,0,0]=3 824 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|0,0,0]=2 825 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|0,0,0]=2 826 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|0,0,0]=2 827 B7R0.5 CCCC(N)C(=O)O 044733 [0,2,0,0,0,0|1,0,0]=3 828 B7R0.5 CCC[C@@H](N)C(=O)O 044736 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.5 CCC[C@H](N)C(=O)O 036432 [0,2,0,0,0,0|1,0,0]=3 830 B7R0.5 CCOC(=O)C(=O)Cl 024489 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.5 CCOC(=O)C(C)=O 033125 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.5 CCOC(=O)C(N)=O 221464 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.5 CC\C=C(/C)C(=O)O 002778 [0,2,0,0,0,0|0,0,1]=3 834 B7R0.5 CC\C=C(/C)C(=O)O 102663 [0,2,0,0,0,0|0,0,1]=3 835 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,2,0,0,0,0|1,0,0]=3 836 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.5 CSC[C@H](N)C(=O)O 045340 [0,2,0,0,0,0|1,0,0]=3 838 B7R0.5 NCC[C@H](N)C(=O)O 493318 [0,2,0,0,0,0|1,0,0]=3 839 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|1,0,0]=3 841 B7R0.7 CCCC(C)N=C=S 009558 [0,2,0,0,0,0|0,1,1]=4 842 B7R0.7 CCCC(C)SC#N 024162 [0,2,0,0,0,0|1,0,1]=4 843 B7R0.7 CCOC(C)OCC 358253 [0,2,0,0,0,0|1,0,1]=4 844 B7R0.10 CCC(=O)C(=O)CC 464571 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.10 CCC(=O)N(C)OC 306492 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.10 CCC(Br)C(=O)OC 006777 [0,2,0,0,0,0|1,0,0]=3 847 B7R0.10 CCC(C)C(=O)NC 102997 [0,2,0,0,0,0|0,0,0]=2 848 B7R0.10 CCC(C)C(=O)OC 035885 [0,2,0,0,0,0|0,0,0]=2 849 B7R0.10 CCC(N)C(=O)OC 241817 [0,2,0,0,0,0|1,0,0]=3 850 B7R0.10 CCN(C)C(=O)CBr 075255 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.10 CCN(C)C(=O)CCl 080286 [0,2,0,0,0,0|1,0,0]=3 852 B7R0.10 COC(=O)[C@@H](C)CBr 053967 [0,2,0,0,0,0|1,0,0]=3 853 B7R0.10 COC(=O)[C@@H](N)CCl 390254 [0,2,0,0,0,0|2,0,0]=4 854 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|2,0,0]=4 855 B7R0.10 COC(=O)[C@@H](N)CS 045338 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|2,0,0]=4 857 B7R0.10 COC(=O)[C@H](C)CBr 104234 [0,2,0,0,0,0|1,0,0]=3 858 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|2,0,0]=4 859 B7R0.10 CON(C)C(=O)CCl 230712 [0,2,0,0,0,0|2,0,0]=4 860 B7R0.10 C\C=C(/C)C(=O)OC 099352 [0,2,0,0,0,0|0,0,2]=4 861 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|2,0,0]=4 862 B7R0.12 C=CCN(CC)CC 098907 [0,2,0,0,0,0|2,0,0]=4 863 B7R0.12 CCC(CC)N=C=S 009559 [0,2,0,0,0,0|0,1,1]=4 864 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|2,0,0]=4 865 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|2,0,0]=4 866 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|2,0,0]=4 867 B7R0.13 C#CC(C)(O)C(C)C 103638 [0,2,0,0,0,0|1,0,1]=4 868 B7R0.13 CC(C)(CBr)C(=O)F 102113 [0,2,0,0,0,0|1,0,0]=3 869 B7R0.13 CC(C)(CBr)C(=O)O 094021 [0,2,0,0,0,0|1,0,0]=3 870 B7R0.13 CC(C)(CBr)C(N)=O 102689 [0,2,0,0,0,0|1,0,0]=3 871 B7R0.13 CC(C)(CCl)C(=O)Cl 099578 [0,2,0,0,0,0|1,0,0]=3 872 B7R0.13 CC(C)(CCl)C(=O)O 105948 [0,2,0,0,0,0|1,0,0]=3 873 B7R0.13 CC(C)(CO)C(=O)O 147000 [0,2,0,0,0,0|1,0,0]=3 874 B7R0.13 CCC(C)(C)C(=O)O 035602 [0,2,0,0,0,0|0,0,0]=2 875 B7R0.13 CCC(C)(C)C(C)=O 005871 [0,2,0,0,0,0|0,0,0]=2 876 B7R0.13 CCC(F)(F)C(=O)O 024845 [0,2,0,0,0,0|1,0,0]=3 877 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [0,2,0,0,0,0|0,0,0]=2 878 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|0,0,2]=4 879 B7R0.14 CCC(C)S(=O)(=O)Cl 021388 [0,2,0,0,0,0|1,0,0]=3 880 B7R0.14 CCC(C)S(=O)(=O)F 044898 [0,2,0,0,0,0|1,0,0]=3 881 B7R0.14 CCN(C)S(=O)(=O)Cl 044632 [0,2,0,0,0,0|2,0,0]=4 882 B7R0.15 CCC(CC)C(=O)Cl 099324 [0,2,0,0,0,0|0,0,0]=2 883 B7R0.15 CCC(CC)C(=O)O 237870 [0,2,0,0,0,0|0,0,0]=2 884 B7R0.15 CCC(CC)C(C)=O 046100 [0,2,0,0,0,0|0,0,0]=2 885 B7R0.15 CCC(CC)C(N)=O 103936 [0,2,0,0,0,0|0,0,0]=2 886 B7R0.15 CCN(CC)C(=O)Cl 050653 [0,2,0,0,0,0|1,0,0]=3 887 B7R0.15 CCN(CC)C(=S)Cl 046935 [0,2,0,0,0,0|1,1,0]=4 888 B7R0.15 CCN(CC)C(=S)[S-] 103658 [0,2,0,0,0,0|1,1,0]=4 889 B7R0.15 CCN(CC)C(=S)[S-] 493838 [0,2,0,0,0,0|1,1,0]=4 890 B7R0.15 CCN(CC)C(N)=O 337183 [0,2,0,0,0,0|1,0,0]=3 891 B7R0.15 COC(OC)C(C)=O 095023 [0,2,0,0,0,0|1,0,0]=3 892 B7R0.15 O=C(O)C(CBr)CBr 094009 [0,2,0,0,0,0|1,0,0]=3 893 B7R0.16 CC(=O)C(C)C(C)=O 520882 [0,2,0,0,0,0|0,0,1]=3 894 B7R0.16 CC(=O)C(Cl)C(C)=O 095830 [0,2,0,0,0,0|1,0,1]=4 895 B7R0.16 CC(=O)N(C)C(C)=O 069879 [0,2,0,0,0,0|1,0,1]=4 896 B7R0.16 CC(C(=O)O)C(=O)O 080319 [0,2,0,0,0,0|1,0,1]=4 897 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|1,0,0]=3 898 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|1,0,0]=3 899 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|1,0,0]=3 900 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|1,0,0]=3 901 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|1,0,0]=3 902 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|1,0,0]=3 903 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|1,0,0]=3 904 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|1,0,0]=3 905 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|1,0,0]=3 906 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|1,0,0]=3 907 B7R0.18 C#CC(O)(CC)CC 103397 [0,2,0,0,0,0|1,0,1]=4 908 B7R0.18 CCC(N)(CO)CO 243032 [0,2,0,0,0,0|0,0,2]=4 909 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|2,0,0]=4 910 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|2,0,0]=4 911 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|2,0,0]=4 912 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,0]=3 913 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|2,0,0]=4 914 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|0,0,1]=3 915 B5R1.2 O=C1CCO1 167800 [1,0,0,1,0,0|1,0,1]=4 916 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|1,0,1]=4 917 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|0,0,1]=3 918 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|1,0,1]=4 919 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|1,0,1]=4 920 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|1,0,1]=4 921 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|1,0,1]=4 922 B5R1.3 C#CC1CC1 358398 [1,0,0,1,0,0|1,0,1]=4 923 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|0,0,1]=3 924 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|1,0,1]=4 925 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|1,0,1]=4 926 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|1,0,1]=4 927 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|1,0,1]=4 928 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|1,0,1]=4 929 B5R1.3 N#CC1CC1 005110 [1,0,0,1,0,0|1,0,1]=4 930 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|1,0,1]=4 931 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|1,0,1]=4 932 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|0,0,0]=2 933 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|0,0,2]=4 934 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|1,0,1]=4 935 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|1,0,1]=4 936 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|1,0,1]=4 937 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|0,0,2]=4 938 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|1,0,0]=3 939 B5R1.1 C1=CCNC1 013932 [1,0,0,1,0,0|2,0,0]=4 940 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|0,0,2]=4 941 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,1]=4 942 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|0,0,2]=4 943 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|0,0,2]=4 944 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,0,2]=4 945 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|0,0,2]=4 946 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|0,0,2]=4 947 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|0,0,2]=4 948 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|0,0,2]=4 949 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|0,0,2]=4 950 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|0,0,2]=4 951 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|0,1,1]=4 952 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|1,0,1]=4 953 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|1,0,1]=4 954 B7R1.1 C#CC1CCCC1 099433 [0,1,0,1,0,0|1,0,1]=4 955 B7R1.1 C(=O)N1CCCC1 341911 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|1,0,1]=4 957 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|1,0,1]=4 958 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|1,0,1]=4 959 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|1,0,1]=4 960 B7R1.1 N#CC1CCCC1 467169 [0,1,0,1,0,0|1,0,1]=4 961 B7R1.1 N#C[C@@H]1CCCN1 011884 [0,1,0,1,0,0|1,0,1]=4 962 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|1,0,1]=4 964 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|1,0,1]=4 965 B7R1.1 NNC1CCCC1 069074 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|0,0,2]=4 967 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|0,0,2]=4 968 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|0,0,2]=4 969 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|0,0,2]=4 970 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|0,0,2]=4 971 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|0,0,2]=4 972 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|0,0,2]=4 973 B7R1.1 [C-]#[N+]C1CCCC1 021030 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,1,0,0|0,0,1]=3 975 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,1,0,0|0,0,2]=4 976 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,1,0,0|0,0,2]=4 977 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|0,0,0]=2 978 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|0,0,0]=2 979 B7R1.2 CC1CCC(C)N1 105831 [0,1,0,1,0,0|1,0,1]=4 980 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|0,0,2]=4 981 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|1,0,0]=3 982 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|1,0,0]=3 983 B7R1.2 O=C1CCC(=O)C1 024257 [0,1,0,1,0,0|1,0,1]=4 984 B7R1.2 O=C1CCC(=O)N1 095806 [0,1,0,1,0,0|1,0,1]=4 985 B7R1.2 O=C1CCC(=O)O1 339548 [0,1,0,1,0,0|1,0,1]=4 986 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|2,0,0]=4 987 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|2,0,0]=4 988 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,1,0,0|2,0,0]=4 989 B7R1.2 O[C@@H]1C=C[C@H](O)C1 501741 [0,1,0,1,0,0|2,0,0]=4 990 B7R1.3 BrC1C=CCCC1 091672 [0,1,0,1,0,0|2,0,0]=4 991 B7R1.3 CC1=CCCCC1 098887 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|1,0,1]=4 993 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|1,0,1]=4 994 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|1,0,1]=4 995 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|1,0,1]=4 996 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|1,0,1]=4 997 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|1,0,1]=4 998 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|1,0,1]=4 999 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|0,0,2]=4 1000 B7R1.3 CC1SCCCS1 069036 [0,1,0,1,0,0|2,0,0]=4 1001 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|1,0,1]=4 1002 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|1,0,1]=4 1003 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|1,0,1]=4 1004 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|0,0,0]=2 1005 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|0,0,0]=2 1006 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|0,1,1]=4 1007 B7R1.4 CN1CCCC1=O 035918 [0,1,0,1,0,0|1,0,0]=3 1008 B7R1.4 CN1CCCC1=O 041934 [0,1,0,1,0,0|1,0,0]=3 1009 B7R1.4 CN1CCCC1=S 180035 [0,1,0,1,0,0|1,1,0]=4 1010 B7R1.4 CN1CCNC1=O 091683 [0,1,0,1,0,0|1,0,0]=3 1011 B7R1.4 NC1CCNC1=O 047644 [0,1,0,1,0,0|1,0,0]=3 1012 B7R1.4 NC1CCOC1=O 432676 [0,1,0,1,0,0|1,0,0]=3 1013 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,1,0,0|1,0,0]=3 1014 B7R1.4 O=C1NCCC1O 093757 [0,1,0,1,0,0|1,0,0]=3 1015 B7R1.6 CNCC1CCC1 104292 [0,1,0,1,0,0|1,0,1]=4 1016 B7R1.6 S=C=NC1CCC1 069011 [0,1,0,1,0,0|0,1,1]=4 1017 B7R1.25 C=CC1(O)COC1 305027 [0,1,0,1,0,0|2,0,0]=4 1018 B7R1.25 CC1(C=O)COC1 224037 [0,1,0,1,0,0|0,0,0]=2 1019 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|1,0,1]=4 1020 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|0,0,2]=4 1021 B7R1.18 CC(=O)C1CCC1 513334 [0,1,0,1,0,0|0,0,0]=2 1022 B7R1.18 NC(=O)C1CCC1 243268 [0,1,0,1,0,0|0,0,0]=2 1023 B7R1.18 O=C(Cl)C1CCC1 009110 [0,1,0,1,0,0|0,0,0]=2 1024 B7R1.18 O=C(O)C1CCC1 003366 [0,1,0,1,0,0|0,0,0]=2 1025 B7R1.18 O=C(O)C1CCN1 047646 [0,1,0,1,0,0|1,0,0]=3 1026 B7R1.18 O=C(O)C1CNC1 035210 [0,1,0,1,0,0|1,0,0]=3 1027 B7R1.18 O=C(O)C1CNC1 040102 [0,1,0,1,0,0|1,0,0]=3 1028 B7R1.18 OB(O)C1CCC1 230473 [0,1,0,1,0,0|1,0,1]=4 1029 B7R1.19 NC(=O)C1(Br)CC1 244431 [0,1,0,1,0,0|1,0,0]=3 1030 B7R1.19 NC1(C(=O)O)CC1 043411 [0,1,0,1,0,0|1,0,0]=3 1031 B7R1.19 O=C(O)C1(Br)CC1 043233 [0,1,0,1,0,0|1,0,0]=3 1032 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|1,0,1]=4 1033 B7R1.29 OCC1(CO)CC1 067771 [0,1,0,1,0,0|0,0,2]=4